#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2otu s GLN 1 N 0.00 4.10 -0.25 3.17 0.74 -1.26 -4.97 119.66 121.20 2otu s GLN 1 Ca 0.00 1.54 -0.29 0.00 0.05 0.00 0.00 55.36 56.66 2otu s GLN 1 Cb 0.00 -2.51 -0.01 0.00 1.10 0.00 0.00 33.01 31.59 2otu s GLN 1 CO 0.00 -0.20 1.40 -1.17 -0.55 0.00 0.00 175.29 174.77 2otu s LEU 2 N -2.72 3.95 0.02 3.68 2.96 -1.26 -4.84 118.68 120.48 2otu s LEU 2 Ca 0.59 1.44 0.03 0.00 -0.22 0.00 0.00 54.13 55.97 2otu s LEU 2 Cb -0.23 -3.54 -0.01 0.00 0.50 0.00 0.00 46.19 42.91 2otu s LEU 2 CO 0.28 -1.07 -0.09 -0.69 -1.32 0.00 0.00 176.35 173.46 2otu s VAL 3 N 4.45 0.68 -0.16 1.68 1.01 -1.26 -4.93 120.40 121.88 2otu s VAL 3 Ca 0.61 -0.71 0.01 0.00 0.00 0.00 0.00 61.98 61.89 2otu s VAL 3 Cb -0.20 -0.64 0.01 0.00 0.00 0.00 0.00 36.38 35.54 2otu s VAL 3 CO 0.24 -0.04 -0.19 -0.76 0.00 0.00 0.00 175.10 174.34 2otu s LEU 4 N -0.83 2.23 -0.16 3.92 1.43 -1.26 -2.02 118.68 121.98 2otu s LEU 4 Ca -0.01 -0.59 -0.02 0.00 -1.03 0.00 0.00 54.13 52.48 2otu s LEU 4 Cb -0.06 -1.50 -0.01 0.00 0.03 0.00 0.00 46.19 44.65 2otu s LEU 4 CO 0.00 0.05 -0.10 -0.89 0.23 0.00 0.00 176.35 175.64 2otu s THR 5 N 1.03 3.18 0.18 5.49 2.01 -0.55 -4.39 115.64 122.58 2otu s THR 5 Ca -0.02 -0.59 0.06 0.00 0.31 0.00 0.00 61.69 61.45 2otu s THR 5 Cb -0.14 -2.38 -0.04 0.00 0.01 0.00 0.00 72.50 69.95 2otu s THR 5 CO -0.06 0.49 0.10 -1.10 -0.69 0.00 0.00 174.62 173.37 2otu s GLN 6 N 0.75 2.76 0.78 4.92 -0.21 -1.26 -0.00 119.66 127.40 2otu s GLN 6 Ca -0.04 -0.97 -0.11 0.00 0.02 0.00 0.00 55.36 54.26 2otu s GLN 6 Cb -0.15 -2.55 0.06 0.00 1.00 0.00 0.00 33.01 31.38 2otu s GLN 6 CO 0.02 0.46 1.09 -1.54 -2.12 0.00 0.00 175.29 173.20 2otu s SER 7 N -3.17 4.43 0.56 5.90 1.04 -0.33 -4.99 113.70 117.14 2otu s SER 7 Ca 0.30 1.79 -0.20 0.00 0.48 0.00 0.00 55.95 58.32 2otu s SER 7 Cb -0.09 -2.49 -0.05 0.00 0.10 0.00 0.00 66.02 63.49 2otu s SER 7 CO 0.22 -2.08 1.18 -0.94 0.98 0.00 0.00 173.24 172.60 2otu s SER 8 N -3.41 5.50 0.72 7.02 1.04 -1.26 -4.66 113.70 118.66 2otu s SER 8 Ca 0.61 2.31 -0.15 0.00 0.48 0.00 0.00 55.95 59.20 2otu s SER 8 Cb -0.17 -2.59 0.03 0.00 0.10 0.00 0.00 66.02 63.39 2otu s SER 8 CO 0.56 -1.37 1.20 -0.44 0.98 0.00 0.00 173.24 174.16 2otu s SER 9 N -1.62 4.30 0.21 7.02 0.01 -1.26 -4.86 113.70 117.50 2otu s SER 9 Ca 0.74 2.32 -0.20 0.00 1.31 0.00 0.00 55.95 60.12 2otu s SER 9 Cb -0.28 -2.59 0.04 0.00 0.21 0.00 0.00 66.02 63.40 2otu s SER 9 CO 0.31 -2.19 0.61 0.00 0.41 0.00 0.00 173.24 172.38 2otu s ALA 10 N -2.01 -1.21 0.02 1.44 0.00 -0.88 -4.95 121.76 114.18 2otu s ALA 10 Ca 0.74 -0.06 0.03 0.00 0.00 0.00 0.00 51.96 52.67 2otu s ALA 10 Cb -0.28 0.87 -0.04 0.00 0.00 0.00 0.00 23.12 23.67 2otu s ALA 10 CO 0.45 -0.87 -0.05 -1.12 0.00 0.00 0.00 175.76 174.16 2otu s SER 11 N -2.86 4.71 0.07 0.00 0.01 -1.26 -1.71 113.70 112.66 2otu s SER 11 Ca 0.08 -0.15 0.03 0.00 1.31 0.00 0.00 55.95 57.22 2otu s SER 11 Cb -0.03 -1.10 -0.03 0.00 0.21 0.00 0.00 66.02 65.07 2otu s SER 11 CO -0.02 0.26 -0.10 -0.36 0.41 0.00 0.00 173.24 173.43 2otu s PHE 12 N -1.05 0.93 0.42 2.43 0.40 0.62 -4.94 117.98 116.78 2otu s PHE 12 Ca 0.18 -0.57 -0.12 0.00 -0.60 0.00 0.00 56.93 55.82 2otu s PHE 12 Cb -0.11 -0.53 -0.07 0.00 0.51 0.00 0.00 43.02 42.82 2otu s PHE 12 CO 0.09 -0.03 0.81 -1.12 0.70 0.00 0.00 175.22 175.67 2otu s SER 13 N -2.00 6.57 0.30 1.36 0.01 -1.26 -4.31 113.70 114.36 2otu s SER 13 Ca -0.02 1.24 -0.30 0.00 1.31 0.00 0.00 55.95 58.18 2otu s SER 13 Cb -0.07 -2.37 -0.11 0.00 0.21 0.00 0.00 66.02 63.69 2otu s SER 13 CO 0.00 -0.42 1.58 -0.22 0.41 0.00 0.00 173.24 174.60 2otu s LEU 14 N -3.79 4.34 0.00 2.44 2.96 -1.26 -1.78 118.68 121.59 2otu s LEU 14 Ca 0.53 2.95 0.00 0.00 -0.22 0.00 0.00 54.13 57.39 2otu s LEU 14 Cb -0.10 -3.64 0.00 0.00 0.50 0.00 0.00 46.19 42.95 2otu s LEU 14 CO 0.30 -0.90 0.00 0.61 -1.32 0.00 0.00 176.35 175.03 2otu n GLY 15 N 2.03 2.27 3.77 7.98 0.00 0.54 -4.91 105.19 116.86 2otu n GLY 15 Ca 0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.80 2otu n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2otu s ALA 16 N -2.34 1.47 0.05 4.61 0.00 -0.73 -3.82 121.76 121.00 2otu s ALA 16 Ca 0.00 -1.09 0.09 0.00 0.00 0.00 0.00 51.96 50.96 2otu s ALA 16 Cb 0.00 -2.82 -0.03 0.00 0.00 0.00 0.00 23.12 20.27 2otu s ALA 16 CO 0.00 -2.99 -0.26 -1.12 0.00 0.00 0.00 175.76 171.40 2otu s SER 17 N -4.43 3.08 0.13 0.00 0.01 -1.26 0.35 113.70 111.58 2otu s SER 17 Ca 0.73 -0.60 0.07 0.00 1.31 0.00 0.00 55.95 57.45 2otu s SER 17 Cb -0.06 -0.27 -0.04 0.00 0.21 0.00 0.00 66.02 65.86 2otu s SER 17 CO 0.54 0.24 -0.16 0.00 0.41 0.00 0.00 173.24 174.27 2otu s ALA 18 N -0.83 1.63 -0.16 1.44 0.00 0.30 -4.99 121.76 119.14 2otu s ALA 18 Ca 0.11 -1.31 -0.05 0.00 0.00 0.00 0.00 51.96 50.72 2otu s ALA 18 Cb -0.10 -0.12 0.06 0.00 0.00 0.00 0.00 23.12 22.96 2otu s ALA 18 CO 0.02 0.17 0.08 0.21 0.00 0.00 0.00 175.76 176.25 2otu s LYS 19 N -2.54 0.07 0.04 0.00 2.20 -1.26 -0.89 119.74 117.36 2otu s LYS 19 Ca 0.09 -0.04 -0.06 0.00 -0.36 0.00 0.00 55.97 55.61 2otu s LYS 19 Cb -0.06 -1.68 -0.05 0.00 -1.51 0.00 0.00 37.83 34.53 2otu s LYS 19 CO 0.04 -0.63 0.29 -0.51 -0.36 0.00 0.00 175.35 174.18 2otu s LEU 20 N 2.13 4.35 -0.00 5.43 1.02 0.07 -4.93 118.68 126.75 2otu s LEU 20 Ca 0.02 0.54 0.08 0.00 0.02 0.00 0.00 54.13 54.79 2otu s LEU 20 Cb -0.16 -2.83 -0.02 0.00 0.02 0.00 0.00 46.19 43.20 2otu s LEU 20 CO -0.08 0.20 -0.25 -0.89 0.02 0.00 0.00 176.35 175.35 2otu s THR 21 N -1.39 1.99 -0.15 5.49 2.01 -1.26 -1.34 115.64 120.98 2otu s THR 21 Ca 0.31 -1.13 -0.02 0.00 0.31 0.00 0.00 61.69 61.16 2otu s THR 21 Cb -0.13 -1.66 0.04 0.00 0.01 0.00 0.00 72.50 70.76 2otu s THR 21 CO 0.19 0.51 0.00 0.00 -0.69 0.00 0.00 174.62 174.63 2otu s THR 23 N 1.84 4.77 0.39 0.00 2.01 1.00 -0.76 115.64 124.89 2otu s THR 23 Ca 0.01 -0.04 -0.16 0.00 0.31 0.00 0.00 61.69 61.82 2otu s THR 23 Cb -0.15 -3.16 -0.09 0.00 0.01 0.00 0.00 72.50 69.11 2otu s THR 23 CO -0.07 0.44 0.83 -0.76 -0.69 0.00 0.00 174.62 174.36 2otu s LEU 24 N 0.56 3.94 0.35 4.42 1.43 -0.31 -1.48 118.68 127.58 2otu s LEU 24 Ca 0.04 1.39 -0.29 0.00 -1.03 0.00 0.00 54.13 54.24 2otu s LEU 24 Cb -0.13 -4.24 -0.11 0.00 0.03 0.00 0.00 46.19 41.75 2otu s LEU 24 CO 0.01 -0.33 1.47 -0.94 0.23 0.00 0.00 176.35 176.80 2otu s SER 25 N -2.50 6.43 0.32 2.29 1.04 -0.86 -4.77 113.70 115.65 2otu s SER 25 Ca 0.56 2.96 0.08 0.00 0.48 0.00 0.00 55.95 60.03 2otu s SER 25 Cb -0.10 -2.66 0.93 0.00 0.10 0.00 0.00 66.02 64.29 2otu s SER 25 CO 0.20 -0.82 1.62 0.77 0.98 0.00 0.00 173.24 175.99 2otu h SER 26 N 3.50 0.04 -0.01 7.02 4.64 -1.94 0.23 113.55 127.03 2otu h SER 26 Ca -0.50 0.23 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 2otu h SER 26 Cb 1.23 0.30 -0.00 0.00 -0.31 0.00 0.00 62.40 63.62 2otu h SER 26 CO 0.68 -0.26 0.02 -0.61 -0.87 0.00 0.00 176.83 175.78 2otu h GLN 27 N 0.14 0.00 -0.14 4.77 4.15 -1.95 -2.43 115.11 119.64 2otu h GLN 27 Ca 0.66 0.00 -0.09 0.00 0.77 0.00 0.00 58.65 59.99 2otu h GLN 27 Cb 1.49 0.00 -0.06 0.00 0.21 0.00 0.00 27.48 29.11 2otu h GLN 27 CO -0.74 0.00 -0.45 0.72 -1.93 0.00 0.00 178.83 176.43 2otu n HIS 28 N -3.83 0.49 0.14 3.99 -0.00 0.77 -4.80 115.22 111.98 2otu n HIS 28 Ca -0.03 -1.61 0.09 0.00 -0.00 0.00 0.00 57.72 56.18 2otu n HIS 28 Cb 0.10 -0.31 0.48 0.00 -0.00 0.00 0.00 29.99 30.26 2otu n HIS 28 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.34 175.21 2otu n SER 29 N -1.08 0.46 -0.61 0.41 3.41 -0.92 -1.44 113.62 113.85 2otu n SER 29 Ca 0.24 0.70 0.12 0.00 -0.26 0.00 0.00 58.87 59.68 2otu n SER 29 Cb 0.78 -0.75 0.18 0.00 -0.26 0.00 0.00 64.21 64.16 2otu n SER 29 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2otu n THR 30 N -2.12 0.00 -1.95 6.66 -2.24 -1.26 -4.28 114.28 109.09 2otu n THR 30 Ca -0.01 -0.32 -0.37 0.00 -2.27 0.00 0.00 64.05 61.08 2otu n THR 30 Cb 0.06 1.08 0.04 0.00 -2.10 0.00 0.00 70.33 69.41 2otu n THR 30 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 2otu s TYR 31 N -2.24 2.38 -0.06 4.78 1.51 -0.52 -4.39 117.35 118.81 2otu s TYR 31 Ca 0.26 1.48 -0.16 0.00 -1.01 0.00 0.00 57.07 57.64 2otu s TYR 31 Cb 0.19 -3.58 -0.05 0.00 -0.11 0.00 0.00 41.96 38.41 2otu s TYR 31 CO 0.43 -2.40 0.42 0.99 -1.11 0.00 0.00 175.55 173.88 2otu s THR 32 N -1.48 5.12 0.47 -0.71 2.01 -1.26 -4.32 115.64 115.47 2otu s THR 32 Ca 0.75 0.85 0.03 0.00 0.31 0.00 0.00 61.69 63.62 2otu s THR 32 Cb -0.34 -3.74 -0.03 0.00 0.01 0.00 0.00 72.50 68.40 2otu s THR 32 CO 0.38 0.46 0.01 0.27 -0.69 0.00 0.00 174.62 175.05 2otu s ILE 33 N -0.25 1.35 0.06 1.82 -4.36 -0.46 -4.59 121.20 114.78 2otu s ILE 33 Ca 0.24 -2.00 0.06 0.00 -0.26 0.00 0.00 60.65 58.69 2otu s ILE 33 Cb -0.16 -2.41 -0.03 0.00 1.25 0.00 0.00 42.46 41.12 2otu s ILE 33 CO 0.11 0.00 -0.17 -1.61 0.24 0.00 0.00 174.94 173.51 2otu s GLU 34 N -3.82 1.01 -0.10 0.37 8.01 -0.11 -0.33 118.70 123.73 2otu s GLU 34 Ca 0.15 -0.93 -0.01 0.00 0.01 0.00 0.00 54.97 54.20 2otu s GLU 34 Cb 0.04 -1.09 -0.03 0.00 -4.31 0.00 0.00 34.13 28.74 2otu s GLU 34 CO 0.08 0.26 -0.06 -1.58 0.01 0.00 0.00 175.26 173.97 2otu s TRP 35 N -1.02 2.96 0.12 1.61 0.52 -0.27 -0.63 118.94 122.23 2otu s TRP 35 Ca 0.02 -0.15 0.09 0.00 0.02 0.00 0.00 56.10 56.09 2otu s TRP 35 Cb -0.09 -1.81 -0.04 0.00 -1.15 0.00 0.00 33.47 30.38 2otu s TRP 35 CO 0.02 0.16 -0.23 0.71 0.02 0.00 0.00 176.95 177.63 2otu s TYR 36 N -0.30 1.95 -0.05 -1.98 1.51 0.11 -0.35 117.35 118.25 2otu s TYR 36 Ca 0.04 -0.41 0.05 0.00 -1.01 0.00 0.00 57.07 55.74 2otu s TYR 36 Cb -0.13 -1.05 -0.00 0.00 -0.11 0.00 0.00 41.96 40.67 2otu s TYR 36 CO 0.02 0.26 -0.18 -1.14 -1.11 0.00 0.00 175.55 173.40 2otu s GLN 37 N -2.02 1.92 -0.18 -0.62 0.74 0.34 -0.94 119.66 118.90 2otu s GLN 37 Ca 0.09 -0.66 -0.02 0.00 0.05 0.00 0.00 55.36 54.83 2otu s GLN 37 Cb -0.10 -1.66 0.05 0.00 1.10 0.00 0.00 33.01 32.41 2otu s GLN 37 CO 0.05 0.26 0.00 -1.14 -0.55 0.00 0.00 175.29 173.91 2otu s GLN 38 N 0.02 0.94 0.36 1.67 0.74 -0.20 0.05 119.66 123.24 2otu s GLN 38 Ca -0.04 -0.47 -0.05 0.00 0.05 0.00 0.00 55.36 54.85 2otu s GLN 38 Cb -0.12 -2.05 -0.05 0.00 1.10 0.00 0.00 33.01 31.90 2otu s GLN 38 CO 0.03 -0.56 0.64 -0.65 -0.55 0.00 0.00 175.29 174.19 2otu s GLN 39 N 1.76 3.60 0.10 1.67 -0.21 -1.26 -2.05 119.66 123.27 2otu s GLN 39 Ca -0.01 0.04 -0.36 0.00 0.02 0.00 0.00 55.36 55.05 2otu s GLN 39 Cb -0.16 -2.55 -0.17 0.00 1.00 0.00 0.00 33.01 31.12 2otu s GLN 39 CO -0.07 0.07 1.18 -2.30 -2.12 0.00 0.00 175.29 172.05 2otu n PRO 40 N -1.47 0.82 -2.06 2.91 -0.02 -1.26 -1.85 135.00 132.06 2otu n PRO 40 Ca -0.01 0.29 -0.14 0.00 -2.02 0.00 0.00 63.50 61.61 2otu n PRO 40 Cb 0.55 -1.82 -0.03 0.00 -0.02 0.00 0.00 33.50 32.18 2otu n PRO 40 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2otu n LEU 41 N 2.10 -1.24 -4.31 2.45 4.77 -1.26 -4.96 117.00 114.55 2otu n LEU 41 Ca 0.18 0.22 -0.22 0.00 -0.03 0.00 0.00 56.01 56.16 2otu n LEU 41 Cb 0.18 -2.27 -0.12 0.00 -2.33 0.00 0.00 43.42 38.88 2otu n LEU 41 CO 0.61 -0.37 -0.49 -0.54 -1.33 0.00 0.00 177.39 175.27 2otu s LYS 42 N -4.37 1.20 0.53 3.23 1.02 -0.77 -5.13 119.74 115.45 2otu s LYS 42 Ca 0.00 -1.31 -0.20 0.00 0.02 0.00 0.00 55.97 54.47 2otu s LYS 42 Cb 0.00 -1.29 -0.06 0.00 -0.52 0.00 0.00 37.83 35.96 2otu s LYS 42 CO 0.00 0.27 1.16 -2.14 -0.92 0.00 0.00 175.35 173.72 2otu s PRO 43 N -2.52 3.38 0.63 -1.68 0.02 -1.26 -4.59 135.00 128.99 2otu s PRO 43 Ca 0.12 1.70 -0.18 0.00 0.02 0.00 0.00 61.00 62.66 2otu s PRO 43 Cb -0.07 -2.09 -0.03 0.00 0.02 0.00 0.00 34.50 32.33 2otu s PRO 43 CO 0.05 -0.84 1.01 -2.30 -0.33 0.00 0.00 177.00 174.59 2otu n PRO 44 N -1.15 0.84 -4.84 5.54 -0.02 -1.26 -4.72 135.00 129.39 2otu n PRO 44 Ca 0.11 0.34 -0.26 0.00 -2.02 0.00 0.00 63.50 61.66 2otu n PRO 44 Cb 0.50 -2.23 -0.16 0.00 -0.02 0.00 0.00 33.50 31.59 2otu n PRO 44 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2otu s LYS 45 N -2.95 1.82 -0.05 -0.52 2.20 0.11 -4.94 119.74 115.40 2otu s LYS 45 Ca 0.77 -0.61 -0.30 0.00 -0.36 0.00 0.00 55.97 55.47 2otu s LYS 45 Cb -0.40 -1.57 -0.05 0.00 -1.51 0.00 0.00 37.83 34.30 2otu s LYS 45 CO 0.46 0.23 1.50 -0.47 -0.36 0.00 0.00 175.35 176.72 2otu s TYR 46 N 0.07 2.43 -0.25 4.03 5.04 -1.26 -0.50 117.35 126.91 2otu s TYR 46 Ca -0.05 0.54 -0.17 0.00 -2.44 0.00 0.00 57.07 54.96 2otu s TYR 46 Cb -0.12 -3.76 -0.14 0.00 0.35 0.00 0.00 41.96 38.29 2otu s TYR 46 CO 0.02 -3.02 -0.15 0.28 -1.34 0.00 0.00 175.55 171.34 2otu n VAL 47 N 5.18 1.53 -3.55 3.14 0.31 0.53 -4.28 118.33 121.18 2otu n VAL 47 Ca 0.15 -0.21 -0.07 0.00 -0.01 0.00 0.00 64.34 64.20 2otu n VAL 47 Cb 0.43 -1.98 -0.02 0.00 -0.91 0.00 0.00 33.84 31.36 2otu n VAL 47 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2otu s MET 48 N -2.47 0.55 -0.21 5.55 0.23 -1.17 -0.68 119.30 121.11 2otu s MET 48 Ca -0.34 -0.17 -0.09 0.00 -1.03 0.00 0.00 55.69 54.06 2otu s MET 48 Cb 0.11 0.26 -0.04 0.00 -1.53 0.00 0.00 34.83 33.62 2otu s MET 48 CO 0.51 -0.24 0.10 -2.00 -2.03 0.00 0.00 175.02 171.37 2otu s GLU 49 N -2.59 3.98 -0.16 3.16 2.12 -0.79 -1.11 118.70 123.31 2otu s GLU 49 Ca 0.06 -0.33 0.01 0.00 0.36 0.00 0.00 54.97 55.08 2otu s GLU 49 Cb -0.01 -3.35 0.02 0.00 0.26 0.00 0.00 34.13 31.05 2otu s GLU 49 CO -0.06 0.15 -0.16 -1.17 -0.54 0.00 0.00 175.26 173.47 2otu s LEU 50 N 0.75 1.89 0.57 2.70 2.96 0.56 -2.52 118.68 125.59 2otu s LEU 50 Ca 0.05 -0.57 -0.02 0.00 -0.22 0.00 0.00 54.13 53.38 2otu s LEU 50 Cb -0.13 -1.31 0.03 0.00 0.50 0.00 0.00 46.19 45.28 2otu s LEU 50 CO 0.02 -0.04 0.83 -0.54 -1.32 0.00 0.00 176.35 175.30 2otu s LYS 51 N 1.40 2.61 0.57 1.98 1.02 -0.57 -1.35 119.74 125.40 2otu s LYS 51 Ca 0.05 -0.51 0.26 0.00 0.02 0.00 0.00 55.97 55.79 2otu s LYS 51 Cb -0.13 -2.40 1.65 0.00 -0.52 0.00 0.00 37.83 36.43 2otu s LYS 51 CO -0.12 -0.75 2.21 1.57 -0.92 0.00 0.00 175.35 177.35 2otu h LYS 52 N -0.05 0.00 -0.05 1.68 2.10 -1.77 -0.85 116.57 117.63 2otu h LYS 52 Ca -0.44 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.21 2otu h LYS 52 Cb 1.29 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.62 2otu h LYS 52 CO 0.56 0.02 0.00 -0.40 -2.00 0.00 0.00 179.45 177.63 2otu n ASP 53 N -4.00 1.27 0.00 7.07 3.85 -1.26 -4.69 116.55 118.80 2otu n ASP 53 Ca -0.03 -1.49 0.00 0.00 -0.71 0.00 0.00 54.79 52.56 2otu n ASP 53 Cb 0.10 -0.03 0.00 0.00 -1.35 0.00 0.00 41.12 39.84 2otu n ASP 53 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2otu n GLY 54 N 1.12 2.17 3.74 6.12 0.00 -0.33 -4.83 105.19 113.20 2otu n GLY 54 Ca 0.19 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.85 2otu n GLY 54 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2otu s SER 55 N -1.93 4.87 0.11 1.61 1.04 -1.26 -4.42 113.70 113.71 2otu s SER 55 Ca 0.00 2.39 -0.25 0.00 0.48 0.00 0.00 55.95 58.58 2otu s SER 55 Cb 0.00 -2.60 0.08 0.00 0.10 0.00 0.00 66.02 63.60 2otu s SER 55 CO 0.00 -1.81 0.70 -1.38 0.98 0.00 0.00 173.24 171.72 2otu s HIS 56 N -1.70 -0.47 -0.07 5.02 -3.43 -1.26 -1.51 115.29 111.87 2otu s HIS 56 Ca 0.77 0.28 -0.00 0.00 -0.80 0.00 0.00 55.06 55.31 2otu s HIS 56 Cb -0.31 0.56 0.02 0.00 -1.43 0.00 0.00 32.58 31.42 2otu s HIS 56 CO 0.37 -0.75 -0.04 -1.54 -2.00 0.00 0.00 174.74 170.78 2otu s SER 57 N -2.66 1.48 0.42 7.38 1.04 -1.05 -4.98 113.70 115.33 2otu s SER 57 Ca 0.02 -0.16 -0.05 0.00 0.48 0.00 0.00 55.95 56.25 2otu s SER 57 Cb -0.01 -0.55 -0.04 0.00 0.10 0.00 0.00 66.02 65.52 2otu s SER 57 CO -0.11 -0.11 0.71 0.42 0.98 0.00 0.00 173.24 175.12 2otu s THR 58 N 1.44 4.94 0.94 2.02 -4.23 -1.26 -1.88 115.64 117.60 2otu s THR 58 Ca -0.02 0.13 -0.14 0.00 -1.18 0.00 0.00 61.69 60.47 2otu s THR 58 Cb -0.13 -3.83 0.19 0.00 1.34 0.00 0.00 72.50 70.07 2otu s THR 58 CO -0.03 -0.67 1.29 -0.83 -0.54 0.00 0.00 174.62 173.83 2otu s GLY 59 N -3.81 1.78 0.38 3.99 0.00 0.15 -4.93 107.32 104.87 2otu s GLY 59 Ca 0.46 -1.25 -0.26 0.00 0.00 0.00 0.00 44.72 43.67 2otu s GLY 59 CO 0.39 -0.50 1.24 0.99 0.00 0.00 0.00 173.10 175.22 2otu s ASP 60 N -4.87 6.54 0.00 1.64 -0.00 -1.26 -3.08 116.67 115.64 2otu s ASP 60 Ca 0.73 2.52 0.00 0.00 -0.00 0.00 0.00 52.55 55.81 2otu s ASP 60 Cb -0.04 -2.63 0.00 0.00 -0.00 0.00 0.00 42.92 40.25 2otu s ASP 60 CO 0.52 -0.68 0.00 0.61 -0.00 0.00 0.00 175.17 175.63 2otu n GLY 61 N 0.72 0.88 3.65 0.21 0.00 -1.26 -5.00 105.19 104.40 2otu n GLY 61 Ca 0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 2otu n GLY 61 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2otu s ILE 62 N -3.64 4.70 0.57 -0.61 -1.09 -1.18 -5.01 121.20 114.93 2otu s ILE 62 Ca 0.00 1.85 -0.21 0.00 -2.23 0.00 0.00 60.65 60.06 2otu s ILE 62 Cb 0.00 -4.28 -0.04 0.00 -1.58 0.00 0.00 42.46 36.56 2otu s ILE 62 CO 0.00 -0.20 1.31 -2.65 -1.23 0.00 0.00 174.94 172.17 2otu n PRO 63 N 6.32 1.51 0.06 2.79 -0.02 -1.26 -4.89 135.00 139.52 2otu n PRO 63 Ca 0.10 0.56 0.07 0.00 -2.02 0.00 0.00 63.50 62.21 2otu n PRO 63 Cb 0.47 -2.53 0.32 0.00 -0.02 0.00 0.00 33.50 31.74 2otu n PRO 63 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 2otu n ASP 64 N -1.12 0.26 0.00 2.55 3.85 -1.26 -1.25 116.55 119.57 2otu n ASP 64 Ca 0.12 0.59 0.13 0.00 -0.71 0.00 0.00 54.79 54.92 2otu n ASP 64 Cb 0.45 -0.63 0.78 0.00 -1.35 0.00 0.00 41.12 40.37 2otu n ASP 64 CO 0.00 0.00 0.00 -2.11 -1.01 0.00 0.00 177.20 174.08 2otu n ARG 65 N -1.81 0.94 -3.82 0.11 1.85 -1.26 -4.61 116.66 108.05 2otu n ARG 65 Ca 0.01 0.00 -0.36 0.00 -1.00 0.00 0.00 57.85 56.51 2otu n ARG 65 Cb 0.11 -1.44 -0.10 0.00 -1.05 0.00 0.00 32.46 29.98 2otu n ARG 65 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 2otu s PHE 66 N -2.00 3.25 0.06 2.89 0.08 -0.38 -1.20 117.98 120.68 2otu s PHE 66 Ca 0.39 0.06 -0.10 0.00 0.12 0.00 0.00 56.93 57.41 2otu s PHE 66 Cb 0.18 -2.18 0.01 0.00 -0.57 0.00 0.00 43.02 40.45 2otu s PHE 66 CO 0.30 0.04 0.21 -1.54 -0.10 0.00 0.00 175.22 174.14 2otu s SER 67 N 0.85 0.03 0.25 1.36 1.04 -0.58 -4.97 113.70 111.69 2otu s SER 67 Ca 0.05 -0.44 0.09 0.00 0.48 0.00 0.00 55.95 56.13 2otu s SER 67 Cb -0.13 0.32 -0.05 0.00 0.10 0.00 0.00 66.02 66.26 2otu s SER 67 CO 0.03 -0.64 -0.14 -0.83 0.98 0.00 0.00 173.24 172.64 2otu s GLY 68 N -2.38 1.67 0.25 7.32 0.00 -1.26 -0.32 107.32 112.61 2otu s GLY 68 Ca -0.01 -1.79 -0.20 0.00 0.00 0.00 0.00 44.72 42.71 2otu s GLY 68 CO -0.07 -1.85 0.67 -1.35 0.00 0.00 0.00 173.10 170.51 2otu s SER 69 N -3.41 -0.30 0.05 1.64 1.04 -1.10 -4.88 113.70 106.73 2otu s SER 69 Ca 0.26 -0.52 -0.02 0.00 0.48 0.00 0.00 55.95 56.15 2otu s SER 69 Cb -0.01 0.69 -0.03 0.00 0.10 0.00 0.00 66.02 66.77 2otu s SER 69 CO 0.11 -1.25 0.00 -0.44 0.98 0.00 0.00 173.24 172.64 2otu s SER 70 N -2.90 0.39 -0.28 7.02 0.01 -1.26 -0.73 113.70 115.94 2otu s SER 70 Ca 0.10 -0.84 0.02 0.00 1.31 0.00 0.00 55.95 56.54 2otu s SER 70 Cb -0.04 0.20 0.17 0.00 0.21 0.00 0.00 66.02 66.56 2otu s SER 70 CO 0.03 -0.55 0.49 -0.55 0.41 0.00 0.00 173.24 173.07 2otu s SER 71 N -2.59 -0.58 1.81 2.44 0.15 -0.49 -4.81 113.70 109.62 2otu s SER 71 Ca 0.02 0.11 0.00 0.00 0.70 0.00 0.00 55.95 56.78 2otu s SER 71 Cb 0.04 1.59 0.00 0.00 -1.71 0.00 0.00 66.02 65.93 2otu s SER 71 CO -0.08 -0.31 0.00 0.61 1.20 0.00 0.00 173.24 174.66 2otu n GLY 72 N 5.39 3.39 0.11 9.45 0.00 -1.26 -0.89 105.19 121.38 2otu n GLY 72 Ca 0.01 -0.11 0.14 0.00 0.00 0.00 0.00 46.02 46.06 2otu n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2otu n ALA 73 N 11.87 2.84 -1.99 4.61 0.00 -1.26 -4.79 120.51 131.79 2otu n ALA 73 Ca 0.00 -0.28 -0.38 0.00 0.00 0.00 0.00 53.44 52.78 2otu n ALA 73 Cb 0.00 -1.30 -0.06 0.00 0.00 0.00 0.00 19.45 18.09 2otu n ALA 73 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2otu s ASP 74 N -2.58 7.32 -0.08 0.00 1.01 -0.07 -1.17 116.67 121.10 2otu s ASP 74 Ca 0.25 1.62 0.02 0.00 0.71 0.00 0.00 52.55 55.15 2otu s ASP 74 Cb 0.20 -2.49 0.02 0.00 1.01 0.00 0.00 42.92 41.65 2otu s ASP 74 CO 0.51 0.15 -0.12 -0.13 0.21 0.00 0.00 175.17 175.78 2otu s ARG 75 N -1.41 1.79 0.13 8.23 1.81 0.06 -1.40 118.95 128.16 2otu s ARG 75 Ca 0.39 -0.42 0.09 0.00 -1.72 0.00 0.00 55.73 54.07 2otu s ARG 75 Cb -0.21 -1.55 -0.04 0.00 -0.45 0.00 0.00 34.95 32.70 2otu s ARG 75 CO 0.25 -0.04 -0.17 0.71 -0.68 0.00 0.00 175.30 175.37 2otu s TYR 76 N 0.90 2.53 -0.22 -0.53 1.51 0.09 -0.86 117.35 120.78 2otu s TYR 76 Ca -0.10 -0.26 0.01 0.00 -1.01 0.00 0.00 57.07 55.71 2otu s TYR 76 Cb -0.15 -1.33 0.05 0.00 -0.11 0.00 0.00 41.96 40.42 2otu s TYR 76 CO 0.01 0.41 -0.09 -1.17 -1.11 0.00 0.00 175.55 173.59 2otu s LEU 77 N -2.25 2.57 -0.18 -1.29 2.96 -0.45 -2.71 118.68 117.33 2otu s LEU 77 Ca 0.19 -1.06 -0.07 0.00 -0.22 0.00 0.00 54.13 52.97 2otu s LEU 77 Cb -0.10 -1.28 -0.04 0.00 0.50 0.00 0.00 46.19 45.27 2otu s LEU 77 CO 0.11 -0.18 0.06 -0.44 -1.32 0.00 0.00 176.35 174.58 2otu s SER 78 N 1.34 5.62 -0.17 3.68 0.01 0.57 -0.75 113.70 123.99 2otu s SER 78 Ca -0.04 0.09 0.01 0.00 1.31 0.00 0.00 55.95 57.32 2otu s SER 78 Cb -0.18 -1.94 0.02 0.00 0.21 0.00 0.00 66.02 64.13 2otu s SER 78 CO -0.07 0.19 -0.19 -0.63 0.41 0.00 0.00 173.24 172.95 2otu s ILE 79 N 0.27 1.95 0.17 1.44 1.01 -0.07 -1.52 121.20 124.44 2otu s ILE 79 Ca 0.04 -0.87 0.05 0.00 0.00 0.00 0.00 60.65 59.86 2otu s ILE 79 Cb -0.12 -1.77 -0.04 0.00 0.01 0.00 0.00 42.46 40.54 2otu s ILE 79 CO 0.00 0.52 0.17 -0.94 0.00 0.00 0.00 174.94 174.69 2otu s SER 80 N 1.34 5.67 -1.28 3.58 1.04 -0.34 -0.54 113.70 123.16 2otu s SER 80 Ca 0.05 -0.08 -0.16 0.00 0.48 0.00 0.00 55.95 56.25 2otu s SER 80 Cb -0.13 -1.53 0.01 0.00 0.10 0.00 0.00 66.02 64.47 2otu s SER 80 CO -0.12 0.06 0.57 -3.20 0.98 0.00 0.00 173.24 171.53 2otu n ASN 81 N -0.42 -2.85 -4.59 7.02 4.05 -1.04 -4.72 115.26 112.71 2otu n ASN 81 Ca -0.08 -1.11 -0.56 0.00 0.45 0.00 0.00 54.58 53.29 2otu n ASN 81 Cb 0.55 -2.71 -0.07 0.00 1.23 0.00 0.00 39.78 38.78 2otu n ASN 81 CO 0.00 0.00 0.00 -0.38 -3.05 0.00 0.00 177.26 173.83 2otu n ILE 82 N -4.49 0.04 -4.04 -1.44 5.41 0.16 -4.50 119.36 110.49 2otu n ILE 82 Ca -0.19 -0.01 -0.22 0.00 1.00 0.00 0.00 62.75 63.33 2otu n ILE 82 Cb 0.63 -0.61 -0.05 0.00 -0.71 0.00 0.00 39.64 38.89 2otu n ILE 82 CO 0.00 0.00 0.00 -1.10 0.00 0.00 0.00 176.55 175.45 2otu s GLN 83 N 0.91 2.54 0.39 0.38 -1.52 -1.26 -0.34 119.66 120.76 2otu s GLN 83 Ca 0.90 -1.40 0.06 0.00 -1.95 0.00 0.00 55.36 52.97 2otu s GLN 83 Cb -1.10 -2.31 0.80 0.00 -0.22 0.00 0.00 33.01 30.18 2otu s GLN 83 CO 0.55 0.17 2.02 -1.35 -0.25 0.00 0.00 175.29 176.43 2otu h PRO 84 N 1.49 0.63 0.00 2.91 0.11 -1.94 -1.74 132.00 133.47 2otu h PRO 84 Ca -0.45 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2otu h PRO 84 Cb 1.25 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.22 2otu h PRO 84 CO 0.61 0.42 0.00 -0.85 -0.21 0.00 0.00 178.00 177.97 2otu n GLU 85 N -4.47 0.04 0.00 1.05 0.00 -1.26 -2.50 120.64 113.51 2otu n GLU 85 Ca 0.06 0.22 0.14 0.00 0.00 0.00 0.00 57.16 57.57 2otu n GLU 85 Cb 0.12 -1.50 0.53 0.00 0.00 0.00 0.00 31.44 30.59 2otu n GLU 85 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 2otu n ASP 86 N -1.46 0.26 -4.67 -1.84 8.00 -0.65 -4.82 116.55 111.36 2otu n ASP 86 Ca 0.04 -0.02 -0.42 0.00 0.71 0.00 0.00 54.79 55.10 2otu n ASP 86 Cb 0.17 -0.17 -0.03 0.00 -0.02 0.00 0.00 41.12 41.07 2otu n ASP 86 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 2otu s GLU 87 N -2.84 4.17 0.00 -1.24 2.12 -1.04 -4.87 118.70 115.00 2otu s GLU 87 Ca 0.18 2.39 0.00 0.00 0.36 0.00 0.00 54.97 57.90 2otu s GLU 87 Cb 0.19 -3.92 0.00 0.00 0.26 0.00 0.00 34.13 30.66 2otu s GLU 87 CO 0.56 -0.85 0.00 0.00 -0.54 0.00 0.00 175.26 174.42 2otu n ALA 88 N 6.77 0.00 -2.71 6.30 0.00 -0.82 -4.71 120.51 125.34 2otu n ALA 88 Ca 0.18 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.26 2otu n ALA 88 Cb 0.41 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.78 2otu n ALA 88 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2otu s ILE 89 N -2.00 5.39 -0.21 0.00 1.01 -0.87 -0.46 121.20 124.07 2otu s ILE 89 Ca 0.00 0.22 -0.06 0.00 0.00 0.00 0.00 60.65 60.81 2otu s ILE 89 Cb 0.00 -3.49 -0.03 0.00 0.01 0.00 0.00 42.46 38.95 2otu s ILE 89 CO 0.00 0.41 0.02 -0.31 0.00 0.00 0.00 174.94 175.06 2otu s TYR 90 N 0.57 3.07 -0.07 3.97 2.02 0.14 -1.04 117.35 126.01 2otu s TYR 90 Ca 0.09 -0.38 0.04 0.00 -0.37 0.00 0.00 57.07 56.45 2otu s TYR 90 Cb -0.12 -2.11 0.00 0.00 -0.40 0.00 0.00 41.96 39.33 2otu s TYR 90 CO 0.00 -0.21 -0.19 0.42 -1.57 0.00 0.00 175.55 174.00 2otu s ILE 91 N 1.03 1.65 0.21 2.71 1.01 -0.12 -0.91 121.20 126.79 2otu s ILE 91 Ca 0.02 -0.81 0.00 0.00 0.00 0.00 0.00 60.65 59.87 2otu s ILE 91 Cb -0.14 -1.44 -0.04 0.00 0.01 0.00 0.00 42.46 40.85 2otu s ILE 91 CO 0.02 0.47 0.39 0.00 0.00 0.00 0.00 174.94 175.82 2otu s GLY 93 N -3.35 0.26 -0.14 0.00 0.00 0.20 -0.63 107.32 103.66 2otu s GLY 93 Ca 0.38 -0.77 -0.08 0.00 0.00 0.00 0.00 44.72 44.25 2otu s GLY 93 CO 0.30 -0.89 0.35 0.54 0.00 0.00 0.00 173.10 173.39 2otu s VAL 94 N -3.04 -0.03 0.29 1.40 0.11 -0.06 -0.93 120.40 118.15 2otu s VAL 94 Ca -0.01 0.10 0.09 0.00 -2.93 0.00 0.00 61.98 59.23 2otu s VAL 94 Cb 0.01 -0.52 -0.04 0.00 -1.53 0.00 0.00 36.38 34.30 2otu s VAL 94 CO -0.07 0.04 0.05 -0.83 -3.33 0.00 0.00 175.10 170.97 2otu s GLY 95 N 1.23 1.76 -0.28 6.54 0.00 -1.26 -1.13 107.32 114.17 2otu s GLY 95 Ca -0.08 -1.71 0.01 0.00 0.00 0.00 0.00 44.72 42.93 2otu s GLY 95 CO -0.10 -1.73 0.41 -0.35 0.00 0.00 0.00 173.10 171.33 2otu s ASP 96 N -3.74 0.29 -1.13 1.64 3.68 0.26 -4.97 116.67 112.70 2otu s ASP 96 Ca 0.34 -0.24 -0.08 0.00 2.13 0.00 0.00 52.55 54.69 2otu s ASP 96 Cb -0.05 1.15 -0.13 0.00 -1.45 0.00 0.00 42.92 42.44 2otu s ASP 96 CO 0.21 -0.34 3.04 0.35 0.13 0.00 0.00 175.17 178.56 2otu n THR 97 N 5.36 3.78 -2.28 1.71 -2.24 -1.26 -1.80 114.28 117.55 2otu n THR 97 Ca -0.00 -2.18 -0.43 0.00 -2.27 0.00 0.00 64.05 59.17 2otu n THR 97 Cb 0.50 -2.41 -0.02 0.00 -2.10 0.00 0.00 70.33 66.29 2otu n THR 97 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 2otu s ILE 98 N 1.98 3.99 0.29 2.28 1.01 -1.26 -4.92 121.20 124.57 2otu s ILE 98 Ca 0.66 1.15 0.03 0.00 0.00 0.00 0.00 60.65 62.50 2otu s ILE 98 Cb 0.21 -3.88 0.30 0.00 0.01 0.00 0.00 42.46 39.10 2otu s ILE 98 CO -0.04 -0.25 1.67 0.50 0.00 0.00 0.00 174.94 176.82 2otu h LYS 99 N 9.33 0.28 -0.15 2.79 3.64 -2.00 0.81 116.57 131.27 2otu h LYS 99 Ca -0.30 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.05 2otu h LYS 99 Cb 1.13 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.87 2otu h LYS 99 CO 0.99 0.19 0.02 1.05 -2.27 0.00 0.00 179.45 179.43 2otu h GLU 100 N 0.29 0.21 -0.35 1.90 4.11 -2.00 -3.43 114.58 115.31 2otu h GLU 100 Ca 0.56 -0.02 0.24 0.00 0.07 0.00 0.00 59.36 60.21 2otu h GLU 100 Cb 1.13 -0.04 -0.25 0.00 0.50 0.00 0.00 28.75 30.09 2otu h GLU 100 CO -0.60 0.21 0.36 -1.14 0.07 0.00 0.00 179.01 177.91 2otu s GLN 101 N -5.05 0.12 0.69 1.06 2.00 0.25 -5.16 119.66 113.57 2otu s GLN 101 Ca -0.06 0.28 -0.15 0.00 -2.00 0.00 0.00 55.36 53.43 2otu s GLN 101 Cb 0.17 0.16 0.02 0.00 0.80 0.00 0.00 33.01 34.16 2otu s GLN 101 CO 0.71 -0.07 1.15 -0.06 -0.50 0.00 0.00 175.29 176.52 2otu s PHE 102 N 2.44 2.36 -0.04 1.67 2.99 -1.06 -4.20 117.98 122.15 2otu s PHE 102 Ca -0.02 1.58 -0.03 0.00 0.00 0.00 0.00 56.93 58.46 2otu s PHE 102 Cb -0.05 -3.30 0.01 0.00 0.00 0.00 0.00 43.02 39.68 2otu s PHE 102 CO -0.14 -2.10 0.09 0.08 -0.00 0.00 0.00 175.22 173.16 2otu s VAL 103 N -2.18 -0.01 -0.10 -0.44 1.01 -0.75 -4.94 120.40 112.99 2otu s VAL 103 Ca 0.70 0.04 -0.04 0.00 0.00 0.00 0.00 61.98 62.68 2otu s VAL 103 Cb -0.24 -0.14 0.05 0.00 0.00 0.00 0.00 36.38 36.04 2otu s VAL 103 CO 0.43 0.02 0.21 -0.47 0.00 0.00 0.00 175.10 175.29 2otu s TYR 104 N 0.27 -0.30 0.00 5.22 5.04 -1.26 -0.57 117.35 125.75 2otu s TYR 104 Ca -0.02 0.76 0.08 0.00 -2.44 0.00 0.00 57.07 55.45 2otu s TYR 104 Cb -0.03 -0.09 -0.02 0.00 0.35 0.00 0.00 41.96 42.17 2otu s TYR 104 CO -0.01 -0.28 -0.24 0.08 -1.34 0.00 0.00 175.55 173.76 2otu s VAL 105 N 1.94 2.27 0.12 3.14 1.01 -0.28 -4.97 120.40 123.63 2otu s VAL 105 Ca -0.02 -1.15 0.08 0.00 0.00 0.00 0.00 61.98 60.89 2otu s VAL 105 Cb -0.12 -1.84 -0.04 0.00 0.00 0.00 0.00 36.38 34.38 2otu s VAL 105 CO -0.07 0.50 -0.13 -0.36 0.00 0.00 0.00 175.10 175.03 2otu s PHE 106 N -0.71 2.64 0.97 5.22 0.40 -1.26 -0.88 117.98 124.35 2otu s PHE 106 Ca 0.11 -0.21 -0.16 0.00 -0.60 0.00 0.00 56.93 56.07 2otu s PHE 106 Cb -0.10 -1.37 0.19 0.00 0.51 0.00 0.00 43.02 42.25 2otu s PHE 106 CO 0.01 0.43 1.27 0.20 0.70 0.00 0.00 175.22 177.83 2otu s GLY 107 N -2.29 1.73 0.00 4.36 0.00 0.20 -4.73 107.32 106.59 2otu s GLY 107 Ca 0.21 -1.07 0.26 0.00 0.00 0.00 0.00 44.72 44.12 2otu s GLY 107 CO 0.13 -0.34 1.87 0.61 0.00 0.00 0.00 173.10 175.37 2otu n GLY 108 N -3.34 -1.27 0.00 0.20 0.00 -1.26 -4.77 105.19 94.74 2otu n GLY 108 Ca 0.14 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.05 2otu n GLY 108 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2otu n GLY 109 N 1.07 -0.46 2.93 -0.02 0.00 -1.26 -5.02 105.19 102.43 2otu n GLY 109 Ca 0.10 -1.47 -0.29 0.00 0.00 0.00 0.00 46.02 44.36 2otu n GLY 109 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2otu s THR 110 N -2.67 1.24 -0.24 2.61 2.01 -0.08 -4.84 115.64 113.68 2otu s THR 110 Ca 0.00 -0.62 -0.22 0.00 0.31 0.00 0.00 61.69 61.16 2otu s THR 110 Cb 0.00 -1.33 -0.01 0.00 0.01 0.00 0.00 72.50 71.16 2otu s THR 110 CO 0.00 0.23 0.72 -0.75 -0.69 0.00 0.00 174.62 174.13 2otu s LYS 111 N 1.59 4.17 -0.29 4.92 2.20 -1.26 -0.69 119.74 130.37 2otu s LYS 111 Ca 0.02 0.74 -0.10 0.00 -0.36 0.00 0.00 55.97 56.27 2otu s LYS 111 Cb -0.14 -3.63 -0.02 0.00 -1.51 0.00 0.00 37.83 32.52 2otu s LYS 111 CO -0.08 -0.42 0.15 0.08 -0.36 0.00 0.00 175.35 174.72 2otu s VAL 112 N 2.52 4.77 -0.15 4.02 1.01 0.40 -2.07 120.40 130.89 2otu s VAL 112 Ca 0.31 -0.21 -0.06 0.00 0.00 0.00 0.00 61.98 62.01 2otu s VAL 112 Cb -0.16 -3.35 -0.04 0.00 0.00 0.00 0.00 36.38 32.83 2otu s VAL 112 CO 0.09 0.16 0.05 -0.89 0.00 0.00 0.00 175.10 174.51 2otu s THR 113 N 1.66 4.72 -1.37 3.92 2.01 -0.69 -1.95 115.64 123.94 2otu s THR 113 Ca 0.06 -0.07 0.11 0.00 0.31 0.00 0.00 61.69 62.10 2otu s THR 113 Cb -0.16 -3.08 0.09 0.00 0.01 0.00 0.00 72.50 69.35 2otu s THR 113 CO 0.07 0.52 0.85 0.52 -0.69 0.00 0.00 174.62 175.89