#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2otu s VAL 2 N 0.00 3.98 -0.03 1.69 1.01 -1.26 -3.93 120.40 121.87 2otu s VAL 2 Ca 0.00 1.42 0.02 0.00 0.00 0.00 0.00 61.98 63.42 2otu s VAL 2 Cb 0.00 -3.91 0.01 0.00 0.00 0.00 0.00 36.38 32.48 2otu s VAL 2 CO 0.00 0.10 -0.08 -1.10 0.00 0.00 0.00 175.10 174.02 2otu s GLN 3 N 1.19 0.89 -0.07 2.72 -0.21 -0.18 -4.98 119.66 119.02 2otu s GLN 3 Ca 0.59 -0.26 0.01 0.00 0.02 0.00 0.00 55.36 55.72 2otu s GLN 3 Cb -0.30 -0.84 0.02 0.00 1.00 0.00 0.00 33.01 32.89 2otu s GLN 3 CO 0.29 0.08 -0.06 -0.51 -2.12 0.00 0.00 175.29 172.96 2otu s LEU 4 N 0.30 1.24 -0.24 2.90 1.43 -1.26 -1.57 118.68 121.47 2otu s LEU 4 Ca -0.04 -0.19 -0.01 0.00 -1.03 0.00 0.00 54.13 52.86 2otu s LEU 4 Cb -0.09 -0.60 0.07 0.00 0.03 0.00 0.00 46.19 45.59 2otu s LEU 4 CO 0.00 -0.07 0.01 -1.58 0.23 0.00 0.00 176.35 174.94 2otu s GLN 5 N 1.20 1.13 0.51 1.70 2.00 -0.57 -3.84 119.66 121.79 2otu s GLN 5 Ca -0.06 -0.86 -0.11 0.00 -2.00 0.00 0.00 55.36 52.33 2otu s GLN 5 Cb -0.14 -2.36 -0.06 0.00 0.80 0.00 0.00 33.01 31.26 2otu s GLN 5 CO -0.02 -0.70 0.90 -1.21 -0.50 0.00 0.00 175.29 173.77 2otu s GLU 6 N 1.56 3.73 0.22 1.67 8.01 -1.26 -1.27 118.70 131.36 2otu s GLU 6 Ca -0.01 0.62 -0.22 0.00 0.01 0.00 0.00 54.97 55.37 2otu s GLU 6 Cb -0.18 -2.23 0.04 0.00 -4.31 0.00 0.00 34.13 27.45 2otu s GLU 6 CO -0.10 -0.28 0.73 -1.54 0.01 0.00 0.00 175.26 174.08 2otu s SER 7 N -3.61 -0.33 0.00 -0.19 1.04 -0.16 -4.78 113.70 105.68 2otu s SER 7 Ca 0.53 -0.41 0.00 0.00 0.48 0.00 0.00 55.95 56.56 2otu s SER 7 Cb -0.10 0.65 0.00 0.00 0.10 0.00 0.00 66.02 66.66 2otu s SER 7 CO 0.40 -1.16 0.00 0.61 0.98 0.00 0.00 173.24 174.07 2otu n GLY 8 N -0.43 0.63 3.73 7.32 0.00 -1.26 -1.27 105.19 113.90 2otu n GLY 8 Ca -0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.65 2otu n GLY 8 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2otu s GLY 9 N -1.83 1.59 0.00 -0.02 0.00 -1.26 -4.76 107.32 101.04 2otu s GLY 9 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 44.72 44.41 2otu s GLY 9 CO 0.00 0.24 0.00 0.61 0.00 0.00 0.00 173.10 173.95 2otu n GLY 10 N -1.49 -1.43 3.67 0.20 0.00 -0.78 -4.94 105.19 100.43 2otu n GLY 10 Ca 0.06 -1.09 -0.40 0.00 0.00 0.00 0.00 46.02 44.59 2otu n GLY 10 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2otu s LEU 11 N 0.00 4.19 0.29 0.99 1.43 -1.26 -1.44 118.68 122.88 2otu s LEU 11 Ca 0.00 0.96 0.03 0.00 -1.03 0.00 0.00 54.13 54.09 2otu s LEU 11 Cb 0.00 -2.98 -0.04 0.00 0.03 0.00 0.00 46.19 43.21 2otu s LEU 11 CO 0.00 -0.25 0.17 0.68 0.23 0.00 0.00 176.35 177.17 2otu s VAL 12 N 1.70 0.24 0.23 -1.59 -7.23 0.38 -4.98 120.40 109.16 2otu s VAL 12 Ca 0.32 -2.00 0.10 0.00 -1.81 0.00 0.00 61.98 58.59 2otu s VAL 12 Cb -0.16 -2.51 -0.04 0.00 0.56 0.00 0.00 36.38 34.22 2otu s VAL 12 CO 0.12 0.00 -0.08 -1.10 -0.31 0.00 0.00 175.10 173.73 2otu s GLN 13 N -3.82 2.07 0.46 4.82 -0.21 -1.26 -1.34 119.66 120.38 2otu s GLN 13 Ca 0.37 -1.43 -0.25 0.00 0.02 0.00 0.00 55.36 54.07 2otu s GLN 13 Cb 0.05 -2.08 -0.08 0.00 1.00 0.00 0.00 33.01 31.90 2otu s GLN 13 CO 0.18 0.39 1.43 -2.14 -2.12 0.00 0.00 175.29 173.02 2otu s PRO 14 N -3.30 3.64 0.00 2.91 0.02 -1.26 -1.14 135.00 135.87 2otu s PRO 14 Ca 0.28 2.41 0.00 0.00 0.02 0.00 0.00 61.00 63.72 2otu s PRO 14 Cb -0.07 -2.63 0.00 0.00 0.02 0.00 0.00 34.50 31.82 2otu s PRO 14 CO 0.17 -0.85 0.00 0.41 -0.33 0.00 0.00 177.00 176.40 2otu n GLY 15 N 0.59 1.98 0.00 0.52 0.00 0.10 -4.89 105.19 103.49 2otu n GLY 15 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 2otu n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2otu n GLY 16 N -2.00 -0.35 3.38 -0.02 0.00 -0.29 -4.34 105.19 101.56 2otu n GLY 16 Ca 0.00 -1.76 -0.12 0.00 0.00 0.00 0.00 46.02 44.14 2otu n GLY 16 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2otu s SER 17 N -1.00 -0.41 0.09 1.61 1.04 -1.26 -1.87 113.70 111.90 2otu s SER 17 Ca 0.00 -0.06 -0.26 0.00 0.48 0.00 0.00 55.95 56.11 2otu s SER 17 Cb 0.00 0.52 0.08 0.00 0.10 0.00 0.00 66.02 66.72 2otu s SER 17 CO 0.00 -0.86 0.83 -1.48 0.98 0.00 0.00 173.24 172.71 2otu s LEU 18 N -2.55 -0.35 -0.09 2.42 2.34 -0.38 -5.01 118.68 115.05 2otu s LEU 18 Ca -0.00 -0.15 0.01 0.00 0.06 0.00 0.00 54.13 54.05 2otu s LEU 18 Cb 0.00 2.24 0.02 0.00 -0.56 0.00 0.00 46.19 47.89 2otu s LEU 18 CO -0.09 -0.83 -0.11 -0.75 -1.06 0.00 0.00 176.35 173.50 2otu s LYS 19 N -3.37 1.77 0.26 1.48 2.20 -1.26 -0.48 119.74 120.34 2otu s LYS 19 Ca 0.06 -0.39 -0.04 0.00 -0.36 0.00 0.00 55.97 55.24 2otu s LYS 19 Cb -0.02 -1.59 -0.05 0.00 -1.51 0.00 0.00 37.83 34.67 2otu s LYS 19 CO -0.06 -0.10 0.51 -0.51 -0.36 0.00 0.00 175.35 174.83 2otu s LEU 20 N 1.11 4.11 0.15 5.43 1.43 -0.12 -4.72 118.68 126.07 2otu s LEU 20 Ca -0.06 0.64 0.07 0.00 -1.03 0.00 0.00 54.13 53.75 2otu s LEU 20 Cb -0.14 -3.44 -0.04 0.00 0.03 0.00 0.00 46.19 42.60 2otu s LEU 20 CO -0.02 -0.14 -0.14 -0.44 0.23 0.00 0.00 176.35 175.83 2otu s SER 21 N -3.10 2.20 -0.14 2.29 0.01 -0.40 -1.54 113.70 113.02 2otu s SER 21 Ca 0.43 -0.88 -0.04 0.00 1.31 0.00 0.00 55.95 56.77 2otu s SER 21 Cb -0.11 -0.09 0.06 0.00 0.21 0.00 0.00 66.02 66.09 2otu s SER 21 CO 0.29 -0.15 0.15 0.00 0.41 0.00 0.00 173.24 173.94 2otu s ALA 23 N 2.25 3.52 0.07 0.00 0.00 -0.40 -1.06 121.76 126.15 2otu s ALA 23 Ca 0.04 -0.27 0.04 0.00 0.00 0.00 0.00 51.96 51.77 2otu s ALA 23 Cb -0.14 -2.91 -0.04 0.00 0.00 0.00 0.00 23.12 20.03 2otu s ALA 23 CO -0.08 -0.45 0.01 0.00 0.00 0.00 0.00 175.76 175.24 2otu s ALA 24 N 1.66 3.33 0.20 0.00 0.00 -0.53 -1.51 121.76 124.91 2otu s ALA 24 Ca 0.28 -1.07 -0.23 0.00 0.00 0.00 0.00 51.96 50.94 2otu s ALA 24 Cb -0.16 -1.26 0.05 0.00 0.00 0.00 0.00 23.12 21.75 2otu s ALA 24 CO 0.11 0.70 0.75 -1.54 0.00 0.00 0.00 175.76 175.78 2otu s SER 25 N -2.18 -0.32 0.00 0.00 1.04 -0.61 -4.88 113.70 106.74 2otu s SER 25 Ca 0.25 -0.38 0.00 0.00 0.48 0.00 0.00 55.95 56.30 2otu s SER 25 Cb -0.12 0.62 0.00 0.00 0.10 0.00 0.00 66.02 66.63 2otu s SER 25 CO 0.17 -1.11 0.00 0.61 0.98 0.00 0.00 173.24 173.89 2otu n GLY 26 N -0.43 0.96 3.82 7.32 0.00 -1.25 -1.01 105.19 114.60 2otu n GLY 26 Ca -0.08 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.87 2otu n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2otu s PHE 27 N -2.85 -0.09 -0.95 1.61 -0.12 -1.26 -4.36 117.98 109.97 2otu s PHE 27 Ca 0.00 -0.38 -0.23 0.00 -0.05 0.00 0.00 56.93 56.27 2otu s PHE 27 Cb 0.00 0.66 0.06 0.00 -0.63 0.00 0.00 43.02 43.11 2otu s PHE 27 CO 0.00 -1.25 1.35 0.99 -0.05 0.00 0.00 175.22 176.26 2otu s THR 28 N -3.76 4.06 0.22 -4.49 2.01 -1.26 -4.89 115.64 107.54 2otu s THR 28 Ca 0.13 -0.74 -0.13 0.00 0.31 0.00 0.00 61.69 61.26 2otu s THR 28 Cb -0.05 -4.97 0.27 0.00 0.01 0.00 0.00 72.50 67.75 2otu s THR 28 CO 0.08 -1.83 1.61 0.15 -0.69 0.00 0.00 174.62 173.94 2otu h PHE 29 N 9.64 -0.44 0.00 4.92 3.57 -1.95 -1.36 116.94 131.33 2otu h PHE 29 Ca 0.11 0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.67 2otu h PHE 29 Cb 1.02 0.30 0.00 0.00 2.79 0.00 0.00 35.95 40.06 2otu h PHE 29 CO 1.23 -0.31 0.00 2.89 -2.23 0.00 0.00 178.31 179.88 2otu n ARG 30 N -5.47 0.05 0.00 1.11 1.85 -1.26 -2.03 116.66 110.91 2otu n ARG 30 Ca 0.09 0.48 0.12 0.00 -1.00 0.00 0.00 57.85 57.54 2otu n ARG 30 Cb 0.36 -1.63 0.24 0.00 -1.05 0.00 0.00 32.46 30.38 2otu n ARG 30 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 2otu n ASP 31 N -1.73 0.86 -4.40 2.89 8.00 -0.51 -4.44 116.55 117.21 2otu n ASP 31 Ca 0.01 -0.66 -0.29 0.00 0.71 0.00 0.00 54.79 54.56 2otu n ASP 31 Cb 0.06 0.30 -0.13 0.00 -0.02 0.00 0.00 41.12 41.33 2otu n ASP 31 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 2otu s TYR 32 N -2.78 2.33 0.50 1.24 1.51 -0.86 -4.88 117.35 114.42 2otu s TYR 32 Ca 0.16 -0.37 -0.20 0.00 -1.01 0.00 0.00 57.07 55.65 2otu s TYR 32 Cb 0.18 -1.27 -0.07 0.00 -0.11 0.00 0.00 41.96 40.69 2otu s TYR 32 CO 0.64 0.33 1.09 0.71 -1.11 0.00 0.00 175.55 177.21 2otu s TYR 33 N -1.05 2.87 0.13 2.71 2.02 -1.26 -3.81 117.35 118.96 2otu s TYR 33 Ca 0.14 1.56 0.06 0.00 -0.37 0.00 0.00 57.07 58.47 2otu s TYR 33 Cb -0.10 -3.19 -0.04 0.00 -0.40 0.00 0.00 41.96 38.23 2otu s TYR 33 CO 0.06 -1.19 -0.14 -1.64 -1.57 0.00 0.00 175.55 171.07 2otu s MET 34 N -3.15 1.05 0.10 -0.62 -1.94 -0.50 -4.34 119.30 109.90 2otu s MET 34 Ca 0.69 -1.28 -0.02 0.00 -1.71 0.00 0.00 55.69 53.36 2otu s MET 34 Cb -0.21 -0.92 -0.03 0.00 2.01 0.00 0.00 34.83 35.67 2otu s MET 34 CO 0.25 0.17 0.05 0.71 -0.01 0.00 0.00 175.02 176.19 2otu s TYR 35 N -2.25 0.66 -0.05 -0.03 2.02 -0.65 -1.55 117.35 115.49 2otu s TYR 35 Ca 0.10 -1.10 0.04 0.00 -0.37 0.00 0.00 57.07 55.75 2otu s TYR 35 Cb -0.04 -0.39 -0.00 0.00 -0.40 0.00 0.00 41.96 41.13 2otu s TYR 35 CO 0.03 -0.49 -0.18 -1.58 -1.57 0.00 0.00 175.55 171.76 2otu s TRP 36 N -3.98 1.86 0.00 2.71 0.52 -0.72 -1.23 118.94 118.10 2otu s TRP 36 Ca 0.16 -0.59 0.02 0.00 0.02 0.00 0.00 56.10 55.72 2otu s TRP 36 Cb 0.07 -1.26 -0.01 0.00 -1.15 0.00 0.00 33.47 31.13 2otu s TRP 36 CO -0.03 -0.22 -0.08 0.08 0.02 0.00 0.00 176.95 176.72 2otu s VAL 37 N 0.14 0.60 0.22 4.03 1.01 0.22 -0.87 120.40 125.75 2otu s VAL 37 Ca -0.07 -0.44 0.10 0.00 0.00 0.00 0.00 61.98 61.57 2otu s VAL 37 Cb -0.13 -0.52 -0.05 0.00 0.00 0.00 0.00 36.38 35.68 2otu s VAL 37 CO 0.03 0.09 -0.18 0.00 0.00 0.00 0.00 175.10 175.04 2otu s ARG 38 N -0.39 1.46 -0.12 2.72 1.70 -0.11 0.10 118.95 124.31 2otu s ARG 38 Ca 0.01 -1.61 -0.00 0.00 -0.47 0.00 0.00 55.73 53.66 2otu s ARG 38 Cb -0.04 -1.47 0.03 0.00 -0.57 0.00 0.00 34.95 32.90 2otu s ARG 38 CO -0.00 0.27 -0.09 -1.14 -1.08 0.00 0.00 175.30 173.27 2otu s GLN 39 N -3.34 1.66 0.83 3.89 0.74 0.35 -0.95 119.66 122.84 2otu s GLN 39 Ca 0.24 -0.33 -0.12 0.00 0.05 0.00 0.00 55.36 55.20 2otu s GLN 39 Cb -0.04 -1.72 0.09 0.00 1.10 0.00 0.00 33.01 32.44 2otu s GLN 39 CO 0.10 -0.28 1.11 0.95 -0.55 0.00 0.00 175.29 176.62 2otu s THR 40 N 1.66 2.76 0.58 -0.34 -4.23 -0.33 -0.89 115.64 114.85 2otu s THR 40 Ca 0.05 0.25 0.27 0.00 -1.18 0.00 0.00 61.69 61.08 2otu s THR 40 Cb -0.13 -3.00 0.36 0.00 1.34 0.00 0.00 72.50 71.08 2otu s THR 40 CO -0.09 -0.32 2.07 -0.65 -0.54 0.00 0.00 174.62 175.09 2otu h PRO 41 N -1.20 0.00 -0.18 3.99 0.11 -1.91 0.30 132.00 133.11 2otu h PRO 41 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2otu h PRO 41 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 2otu h PRO 41 CO 0.60 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.78 2otu n GLU 42 N -3.92 1.36 -1.05 1.05 4.71 -1.26 -4.87 120.64 116.66 2otu n GLU 42 Ca 0.03 -0.54 -0.02 0.00 -0.01 0.00 0.00 57.16 56.62 2otu n GLU 42 Cb 0.38 -1.14 -0.01 0.00 -1.01 0.00 0.00 31.44 29.67 2otu n GLU 42 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 2otu n LYS 43 N -0.06 -0.60 -2.77 3.49 4.76 0.10 -5.02 118.16 118.07 2otu n LYS 43 Ca 0.05 0.32 -0.40 0.00 -2.87 0.00 0.00 58.31 55.41 2otu n LYS 43 Cb 0.14 -3.89 -0.05 0.00 -1.84 0.00 0.00 35.03 29.39 2otu n LYS 43 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 2otu s ARG 44 N -1.18 4.73 -0.02 1.97 0.52 -1.25 -4.78 118.95 118.95 2otu s ARG 44 Ca 0.00 1.42 -0.09 0.00 -0.52 0.00 0.00 55.73 56.53 2otu s ARG 44 Cb 0.00 -3.33 -0.05 0.00 0.52 0.00 0.00 34.95 32.09 2otu s ARG 44 CO 0.00 0.36 0.28 -0.51 0.02 0.00 0.00 175.30 175.45 2otu s LEU 45 N -0.53 4.40 -0.09 2.53 1.43 -1.26 -1.19 118.68 123.97 2otu s LEU 45 Ca 0.43 0.67 -0.04 0.00 -1.03 0.00 0.00 54.13 54.16 2otu s LEU 45 Cb -0.24 -2.50 0.05 0.00 0.03 0.00 0.00 46.19 43.53 2otu s LEU 45 CO 0.30 0.31 0.20 -0.70 0.23 0.00 0.00 176.35 176.69 2otu s GLU 46 N -1.37 0.12 0.14 1.70 2.12 -0.13 -5.00 118.70 116.28 2otu s GLU 46 Ca 0.23 0.54 -0.31 0.00 0.36 0.00 0.00 54.97 55.79 2otu s GLU 46 Cb -0.14 -0.16 -0.08 0.00 0.26 0.00 0.00 34.13 34.02 2otu s GLU 46 CO 0.12 -0.22 1.35 -0.46 -0.54 0.00 0.00 175.26 175.50 2otu s TRP 47 N 1.71 3.27 -0.14 5.30 -0.00 -1.26 -0.93 118.94 126.88 2otu s TRP 47 Ca -0.04 1.07 0.05 0.00 -0.00 0.00 0.00 56.10 57.18 2otu s TRP 47 Cb -0.11 -3.63 -0.12 0.00 -0.00 0.00 0.00 33.47 29.60 2otu s TRP 47 CO -0.07 -2.11 -0.07 0.28 -0.00 0.00 0.00 176.95 174.98 2otu n VAL 48 N 3.51 0.86 -3.51 5.86 0.31 -0.05 -4.66 118.33 120.66 2otu n VAL 48 Ca 0.09 -0.41 -0.12 0.00 -0.01 0.00 0.00 64.34 63.90 2otu n VAL 48 Cb 0.43 -0.90 -0.04 0.00 -0.91 0.00 0.00 33.84 32.42 2otu n VAL 48 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2otu s ALA 49 N -2.30 -1.80 0.00 3.52 0.00 -0.98 -4.22 121.76 115.98 2otu s ALA 49 Ca -0.15 1.14 0.02 0.00 0.00 0.00 0.00 51.96 52.97 2otu s ALA 49 Cb 0.05 0.12 -0.01 0.00 0.00 0.00 0.00 23.12 23.28 2otu s ALA 49 CO 0.41 -0.53 -0.07 0.12 0.00 0.00 0.00 175.76 175.69 2otu s PHE 50 N -2.26 0.65 -0.05 0.00 5.36 -0.64 -1.76 117.98 119.28 2otu s PHE 50 Ca -0.01 -0.17 -0.02 0.00 -0.96 0.00 0.00 56.93 55.76 2otu s PHE 50 Cb -0.01 -0.41 0.03 0.00 -0.34 0.00 0.00 43.02 42.29 2otu s PHE 50 CO -0.02 -0.02 0.10 -1.50 -1.46 0.00 0.00 175.22 172.32 2otu s ILE 51 N -0.35 -0.04 1.04 3.12 2.07 -0.59 -2.23 121.20 124.23 2otu s ILE 51 Ca 0.01 0.14 -0.13 0.00 -1.41 0.00 0.00 60.65 59.26 2otu s ILE 51 Cb -0.04 -0.17 0.21 0.00 0.13 0.00 0.00 42.46 42.59 2otu s ILE 51 CO -0.00 0.06 1.08 -0.94 -1.91 0.00 0.00 174.94 173.23 2otu s SER 52 N 0.83 2.22 0.28 4.50 1.04 -0.47 -1.42 113.70 120.68 2otu s SER 52 Ca -0.07 1.16 0.00 0.00 0.48 0.00 0.00 55.95 57.53 2otu s SER 52 Cb -0.09 -1.83 0.52 0.00 0.10 0.00 0.00 66.02 64.73 2otu s SER 52 CO -0.04 -3.38 1.84 -0.55 0.98 0.00 0.00 173.24 172.09 2otu h ASN 53 N -2.07 0.94 -0.34 7.02 -1.07 -1.85 -1.78 115.58 116.44 2otu h ASN 53 Ca -0.56 0.04 0.00 0.00 0.07 0.00 0.00 56.30 55.86 2otu h ASN 53 Cb 1.33 -0.15 0.00 0.00 -2.07 0.00 0.00 38.32 37.43 2otu h ASN 53 CO 0.56 0.52 0.00 0.61 0.07 0.00 0.00 177.43 179.19 2otu n GLY 54 N -1.35 1.45 1.98 9.14 0.00 -1.26 -4.72 105.19 110.43 2otu n GLY 54 Ca 0.18 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.52 2otu n GLY 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2otu n GLY 55 N 1.44 0.69 0.27 -0.02 0.00 -0.67 -4.95 105.19 101.94 2otu n GLY 55 Ca 0.19 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.18 2otu n GLY 55 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2otu h GLY 56 N 0.00 0.66 -4.57 -0.02 0.00 -1.92 -3.45 103.07 93.78 2otu h GLY 56 Ca 0.00 -0.45 -0.53 0.00 0.00 0.00 0.00 47.33 46.35 2otu h GLY 56 CO 0.00 0.41 -0.82 -0.56 0.00 0.00 0.00 176.54 175.57 2otu s SER 57 N -6.72 2.20 0.03 0.19 0.01 -1.26 -5.00 113.70 103.15 2otu s SER 57 Ca -0.08 -0.50 0.01 0.00 1.31 0.00 0.00 55.95 56.69 2otu s SER 57 Cb 0.15 -0.17 -0.02 0.00 0.21 0.00 0.00 66.02 66.18 2otu s SER 57 CO 0.79 0.12 -0.05 0.42 0.41 0.00 0.00 173.24 174.92 2otu s THR 58 N -0.82 0.31 -0.00 1.44 -4.23 -1.26 -1.36 115.64 109.72 2otu s THR 58 Ca 0.06 -1.03 -0.06 0.00 -1.18 0.00 0.00 61.69 59.47 2otu s THR 58 Cb -0.08 -0.47 0.00 0.00 1.34 0.00 0.00 72.50 73.28 2otu s THR 58 CO 0.02 -0.47 0.12 -0.31 -0.54 0.00 0.00 174.62 173.44 2otu s TYR 59 N -1.53 0.03 0.04 3.99 2.02 -0.95 -4.99 117.35 115.97 2otu s TYR 59 Ca -0.12 -0.10 -0.08 0.00 -0.37 0.00 0.00 57.07 56.40 2otu s TYR 59 Cb -0.09 -0.05 -0.00 0.00 -0.40 0.00 0.00 41.96 41.42 2otu s TYR 59 CO -0.01 -0.25 0.15 0.71 -1.57 0.00 0.00 175.55 174.58 2otu s TYR 60 N -1.20 0.12 0.66 2.71 2.02 -1.26 -1.62 117.35 118.78 2otu s TYR 60 Ca -0.13 -0.37 -0.10 0.00 -0.37 0.00 0.00 57.07 56.10 2otu s TYR 60 Cb -0.07 -0.08 -0.00 0.00 -0.40 0.00 0.00 41.96 41.41 2otu s TYR 60 CO 0.01 -0.40 1.04 -1.25 -1.57 0.00 0.00 175.55 173.39 2otu s PRO 61 N -2.54 3.11 0.53 -1.71 0.04 -1.26 -4.80 135.00 128.36 2otu s PRO 61 Ca -0.05 0.48 0.19 0.00 0.04 0.00 0.00 61.00 61.66 2otu s PRO 61 Cb -0.01 -2.08 1.33 0.00 0.04 0.00 0.00 34.50 33.77 2otu s PRO 61 CO -0.04 -0.82 2.12 -0.44 0.04 0.00 0.00 177.00 177.86 2otu h ASP 62 N -0.46 0.00 -0.03 6.66 5.19 -1.98 -1.97 116.42 123.83 2otu h ASP 62 Ca -0.45 0.00 0.01 0.00 -0.62 0.00 0.00 57.03 55.97 2otu h ASP 62 Cb 1.23 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.74 2otu h ASP 62 CO 0.63 0.00 0.03 0.71 -3.12 0.00 0.00 179.24 177.49 2otu h THR 63 N 0.00 0.54 0.00 0.35 1.35 -1.98 -3.26 112.91 109.90 2otu h THR 63 Ca 0.05 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.91 2otu h THR 63 Cb 0.21 0.98 0.00 0.00 -1.73 0.00 0.00 68.15 67.60 2otu h THR 63 CO -0.00 0.00 0.00 1.33 -0.25 0.00 0.00 175.52 176.60 2otu n VAL 64 N -3.87 0.00 -0.38 6.82 0.24 -1.03 -4.96 118.33 115.16 2otu n VAL 64 Ca -0.02 -0.21 -0.06 0.00 -2.04 0.00 0.00 64.34 62.00 2otu n VAL 64 Cb 0.12 1.36 -0.03 0.00 -1.47 0.00 0.00 33.84 33.82 2otu n VAL 64 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 2otu n LYS 65 N -0.16 -0.33 -0.11 7.34 4.81 -0.77 -0.85 118.16 128.09 2otu n LYS 65 Ca 0.00 1.44 0.06 0.00 -0.87 0.00 0.00 58.31 58.94 2otu n LYS 65 Cb 0.09 -2.13 0.19 0.00 0.02 0.00 0.00 35.03 33.20 2otu n LYS 65 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2otu n GLY 66 N -1.33 0.13 0.01 3.14 0.00 -1.26 -4.20 105.19 101.68 2otu n GLY 66 Ca 0.06 -0.29 -0.01 0.00 0.00 0.00 0.00 46.02 45.77 2otu n GLY 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2otu n ARG 67 N 0.19 1.99 -4.03 1.61 1.74 -0.03 -5.04 116.66 113.09 2otu n ARG 67 Ca 0.10 0.01 -0.32 0.00 -0.77 0.00 0.00 57.85 56.87 2otu n ARG 67 Cb 0.23 -1.05 -0.06 0.00 -1.02 0.00 0.00 32.46 30.55 2otu n ARG 67 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 2otu s PHE 68 N -2.05 3.35 -0.07 -1.55 0.40 -0.23 -1.92 117.98 115.91 2otu s PHE 68 Ca -0.02 0.22 -0.01 0.00 -0.60 0.00 0.00 56.93 56.52 2otu s PHE 68 Cb 0.01 -1.74 0.03 0.00 0.51 0.00 0.00 43.02 41.82 2otu s PHE 68 CO 0.08 0.57 -0.02 0.99 0.70 0.00 0.00 175.22 177.54 2otu s THR 69 N -1.29 0.49 -0.08 0.64 2.01 -0.03 -4.82 115.64 112.56 2otu s THR 69 Ca 0.26 0.03 -0.11 0.00 0.31 0.00 0.00 61.69 62.18 2otu s THR 69 Cb -0.12 -0.61 -0.05 0.00 0.01 0.00 0.00 72.50 71.73 2otu s THR 69 CO 0.18 0.27 0.27 -0.51 -0.69 0.00 0.00 174.62 174.14 2otu s ILE 70 N 1.76 5.28 0.24 1.82 2.07 -1.26 -0.52 121.20 130.59 2otu s ILE 70 Ca 0.02 0.52 -0.10 0.00 -1.41 0.00 0.00 60.65 59.68 2otu s ILE 70 Cb -0.13 -3.56 -0.01 0.00 0.13 0.00 0.00 42.46 38.89 2otu s ILE 70 CO -0.05 0.56 0.40 -0.94 -1.91 0.00 0.00 174.94 173.01 2otu s SER 71 N -0.79 -0.00 -0.00 4.50 1.04 -0.98 -5.01 113.70 112.45 2otu s SER 71 Ca 0.19 -1.05 -0.19 0.00 0.48 0.00 0.00 55.95 55.37 2otu s SER 71 Cb -0.14 0.54 0.04 0.00 0.10 0.00 0.00 66.02 66.56 2otu s SER 71 CO 0.08 -1.08 0.42 0.00 0.98 0.00 0.00 173.24 173.64 2otu s ARG 72 N -4.01 0.83 -0.34 4.02 1.70 -1.26 -0.79 118.95 119.10 2otu s ARG 72 Ca 0.26 -0.17 0.02 0.00 -0.47 0.00 0.00 55.73 55.38 2otu s ARG 72 Cb 0.01 0.38 0.10 0.00 -0.57 0.00 0.00 34.95 34.87 2otu s ARG 72 CO 0.10 -0.26 0.08 0.34 -1.08 0.00 0.00 175.30 174.48 2otu s ASP 73 N -1.54 4.47 0.48 -2.89 3.68 -0.45 -4.99 116.67 115.42 2otu s ASP 73 Ca -0.10 -2.04 0.18 0.00 2.13 0.00 0.00 52.55 52.73 2otu s ASP 73 Cb -0.03 -1.36 1.17 0.00 -1.45 0.00 0.00 42.92 41.26 2otu s ASP 73 CO 0.03 -0.38 2.04 0.78 0.13 0.00 0.00 175.17 177.77 2otu h ASN 74 N 7.70 0.00 0.39 -0.34 2.35 -1.94 -1.44 115.58 122.29 2otu h ASN 74 Ca -0.07 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.60 2otu h ASN 74 Cb 1.01 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.37 2otu h ASN 74 CO 0.51 0.15 -0.35 0.00 -1.65 0.00 0.00 177.43 176.08 2otu h ALA 75 N 1.85 1.37 -0.02 -0.83 0.00 -1.95 -2.58 119.26 117.10 2otu h ALA 75 Ca -0.00 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2otu h ALA 75 Cb 0.28 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2otu h ALA 75 CO 0.02 0.44 -0.13 1.63 0.00 0.00 0.00 179.25 181.21 2otu n LYS 76 N -4.05 1.93 -3.81 0.00 5.02 -0.72 -4.96 118.16 111.58 2otu n LYS 76 Ca -0.02 -1.55 -0.26 0.00 -2.02 0.00 0.00 58.31 54.46 2otu n LYS 76 Cb 0.40 -1.47 0.03 0.00 -0.02 0.00 0.00 35.03 33.97 2otu n LYS 76 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2otu n ASN 77 N 0.82 -3.31 -4.07 4.39 3.02 -0.62 -4.85 115.26 110.63 2otu n ASN 77 Ca 0.13 -0.78 -0.21 0.00 -0.03 0.00 0.00 54.58 53.69 2otu n ASN 77 Cb 0.53 -4.02 -0.15 0.00 -0.61 0.00 0.00 39.78 35.53 2otu n ASN 77 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2otu s THR 78 N -3.46 0.96 0.02 3.41 2.01 -1.00 -1.46 115.64 116.12 2otu s THR 78 Ca 0.37 -0.52 0.04 0.00 0.31 0.00 0.00 61.69 61.89 2otu s THR 78 Cb -0.18 -0.80 -0.04 0.00 0.01 0.00 0.00 72.50 71.49 2otu s THR 78 CO 0.82 0.27 -0.05 -0.22 -0.69 0.00 0.00 174.62 174.74 2otu s LEU 79 N -0.27 3.23 0.13 4.42 2.96 -0.22 -1.35 118.68 127.58 2otu s LEU 79 Ca 0.04 -0.16 0.04 0.00 -0.22 0.00 0.00 54.13 53.84 2otu s LEU 79 Cb -0.05 -1.89 -0.04 0.00 0.50 0.00 0.00 46.19 44.71 2otu s LEU 79 CO -0.00 0.26 -0.10 -0.31 -1.32 0.00 0.00 176.35 174.88 2otu s TYR 80 N -1.07 1.19 -0.20 5.38 2.02 0.03 -0.28 117.35 124.43 2otu s TYR 80 Ca 0.19 -0.74 -0.05 0.00 -0.37 0.00 0.00 57.07 56.10 2otu s TYR 80 Cb -0.11 -0.62 0.07 0.00 -0.40 0.00 0.00 41.96 40.90 2otu s TYR 80 CO 0.10 0.05 0.10 -1.17 -1.57 0.00 0.00 175.55 173.05 2otu s LEU 81 N -2.98 0.39 -0.18 -1.29 2.96 -0.59 -2.32 118.68 114.67 2otu s LEU 81 Ca 0.14 -0.77 -0.23 0.00 -0.22 0.00 0.00 54.13 53.04 2otu s LEU 81 Cb 0.01 -0.27 -0.02 0.00 0.50 0.00 0.00 46.19 46.42 2otu s LEU 81 CO 0.00 -0.37 0.75 -1.58 -1.32 0.00 0.00 176.35 173.82 2otu s GLN 82 N 2.13 4.25 -0.32 1.98 2.00 0.32 -0.95 119.66 129.08 2otu s GLN 82 Ca 0.04 0.84 -0.01 0.00 -2.00 0.00 0.00 55.36 54.23 2otu s GLN 82 Cb -0.16 -3.58 0.06 0.00 0.80 0.00 0.00 33.01 30.13 2otu s GLN 82 CO -0.16 -0.30 0.02 -1.64 -0.50 0.00 0.00 175.29 172.72 2otu s MET 83 N 2.08 2.28 0.34 1.67 -1.94 0.37 -0.85 119.30 123.25 2otu s MET 83 Ca 0.34 -1.40 0.09 0.00 -1.71 0.00 0.00 55.69 53.01 2otu s MET 83 Cb -0.16 -3.22 -0.05 0.00 2.01 0.00 0.00 34.83 33.41 2otu s MET 83 CO 0.11 -0.71 0.04 -1.12 -0.01 0.00 0.00 175.02 173.34 2otu s SER 84 N 1.30 4.30 -1.34 3.03 0.01 -0.81 -1.25 113.70 118.94 2otu s SER 84 Ca -0.02 -0.94 -0.10 0.00 1.31 0.00 0.00 55.95 56.19 2otu s SER 84 Cb -0.20 -0.58 0.00 0.00 0.21 0.00 0.00 66.02 65.46 2otu s SER 84 CO -0.02 -0.26 0.48 0.54 0.41 0.00 0.00 173.24 174.39 2otu n ARG 85 N -1.00 -2.05 -1.70 12.44 1.74 -0.89 -4.69 116.66 120.52 2otu n ARG 85 Ca -0.04 0.32 -0.40 0.00 -0.77 0.00 0.00 57.85 56.96 2otu n ARG 85 Cb 0.62 -4.02 0.02 0.00 -1.02 0.00 0.00 32.46 28.07 2otu n ARG 85 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2otu n LEU 86 N -4.47 4.22 -4.43 0.55 4.77 -0.78 -4.59 117.00 112.27 2otu n LEU 86 Ca -0.24 1.06 -0.28 0.00 -0.03 0.00 0.00 56.01 56.52 2otu n LEU 86 Cb 0.65 -1.50 -0.12 0.00 -2.33 0.00 0.00 43.42 40.12 2otu n LEU 86 CO 0.75 -0.77 -0.53 -0.54 -1.33 0.00 0.00 177.39 174.97 2otu s LYS 87 N -2.37 1.55 0.40 3.23 1.02 -1.26 0.01 119.74 122.32 2otu s LYS 87 Ca 0.64 -1.42 0.14 0.00 0.02 0.00 0.00 55.97 55.35 2otu s LYS 87 Cb -0.48 -1.91 0.98 0.00 -0.52 0.00 0.00 37.83 35.89 2otu s LYS 87 CO 0.55 0.43 1.88 0.77 -0.92 0.00 0.00 175.35 178.06 2otu h SER 88 N 3.45 0.49 0.28 2.83 0.02 -1.96 0.13 113.55 118.78 2otu h SER 88 Ca -0.48 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.50 2otu h SER 88 Cb 1.19 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.67 2otu h SER 88 CO 0.45 0.23 0.00 -0.62 -1.14 0.00 0.00 176.83 175.76 2otu n GLU 89 N -4.52 0.02 0.00 3.45 4.71 -1.26 -1.73 120.64 121.31 2otu n GLU 89 Ca 0.17 0.38 0.15 0.00 -0.01 0.00 0.00 57.16 57.85 2otu n GLU 89 Cb 0.56 -1.54 0.70 0.00 -1.01 0.00 0.00 31.44 30.15 2otu n GLU 89 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 2otu n ASP 90 N -1.58 0.18 -4.66 1.62 8.00 0.46 -4.81 116.55 115.76 2otu n ASP 90 Ca 0.02 -0.32 -0.42 0.00 0.71 0.00 0.00 54.79 54.77 2otu n ASP 90 Cb 0.09 -0.19 -0.03 0.00 -0.02 0.00 0.00 41.12 40.98 2otu n ASP 90 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2otu s THR 91 N -2.53 3.18 -0.08 -3.53 2.01 -0.71 -4.83 115.64 109.16 2otu s THR 91 Ca 0.29 0.22 -0.32 0.00 0.31 0.00 0.00 61.69 62.19 2otu s THR 91 Cb 0.20 -3.14 0.14 0.00 0.01 0.00 0.00 72.50 69.70 2otu s THR 91 CO 0.47 -0.02 1.40 0.00 -0.69 0.00 0.00 174.62 175.78 2otu s ALA 92 N 4.33 -2.50 -0.17 7.40 0.00 -0.74 -4.37 121.76 125.72 2otu s ALA 92 Ca 0.84 0.80 -0.19 0.00 0.00 0.00 0.00 51.96 53.41 2otu s ALA 92 Cb -0.40 0.35 -0.03 0.00 0.00 0.00 0.00 23.12 23.04 2otu s ALA 92 CO 0.38 -1.08 0.52 1.41 0.00 0.00 0.00 175.76 176.99 2otu s MET 93 N -2.09 4.24 -0.20 0.00 -2.45 -0.06 -1.18 119.30 117.56 2otu s MET 93 Ca 0.17 0.45 -0.08 0.00 -1.25 0.00 0.00 55.69 54.98 2otu s MET 93 Cb 0.06 -3.52 -0.04 0.00 1.25 0.00 0.00 34.83 32.58 2otu s MET 93 CO -0.06 -0.06 0.07 0.71 1.05 0.00 0.00 175.02 176.74 2otu s TYR 94 N 1.33 3.23 -0.01 4.11 1.51 0.61 -0.50 117.35 127.63 2otu s TYR 94 Ca 0.25 0.02 0.07 0.00 -1.01 0.00 0.00 57.07 56.40 2otu s TYR 94 Cb -0.15 -2.13 -0.02 0.00 -0.11 0.00 0.00 41.96 39.55 2otu s TYR 94 CO 0.10 0.06 -0.22 0.71 -1.11 0.00 0.00 175.55 175.09 2otu s TYR 95 N 0.65 2.45 0.13 2.71 1.51 0.11 -1.46 117.35 123.45 2otu s TYR 95 Ca 0.04 -0.34 -0.02 0.00 -1.01 0.00 0.00 57.07 55.74 2otu s TYR 95 Cb -0.13 -1.52 -0.05 0.00 -0.11 0.00 0.00 41.96 40.16 2otu s TYR 95 CO 0.01 0.07 0.31 0.00 -1.11 0.00 0.00 175.55 174.84 2otu s ALA 97 N -1.66 -0.23 0.05 0.00 0.00 -0.36 -1.70 121.76 117.85 2otu s ALA 97 Ca 0.38 -0.55 0.04 0.00 0.00 0.00 0.00 51.96 51.83 2otu s ALA 97 Cb -0.12 0.42 -0.02 0.00 0.00 0.00 0.00 23.12 23.39 2otu s ALA 97 CO 0.27 -0.46 -0.12 0.50 0.00 0.00 0.00 175.76 175.95 2otu s ARG 98 N -3.50 0.74 0.57 0.00 3.52 -0.31 -1.64 118.95 118.33 2otu s ARG 98 Ca 0.02 -0.79 0.08 0.00 -0.13 0.00 0.00 55.73 54.91 2otu s ARG 98 Cb 0.03 -0.68 0.10 0.00 -1.56 0.00 0.00 34.95 32.84 2otu s ARG 98 CO -0.09 0.15 0.78 0.41 -0.81 0.00 0.00 175.30 175.75 2otu n GLY 99 N 1.62 1.78 3.29 8.12 0.00 -0.67 -0.84 105.19 118.48 2otu n GLY 99 Ca -0.20 -2.20 -0.10 0.00 0.00 0.00 0.00 46.02 43.52 2otu n GLY 99 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2otu s ARG 100 N -4.55 0.40 7.29 1.61 3.52 -0.31 -4.75 118.95 122.15 2otu s ARG 100 Ca 0.58 0.85 0.00 0.00 -0.13 0.00 0.00 55.73 57.03 2otu s ARG 100 Cb -0.04 0.03 0.00 0.00 -1.56 0.00 0.00 34.95 33.38 2otu s ARG 100 CO 0.37 -0.17 0.00 0.41 -0.81 0.00 0.00 175.30 175.10 2otu n GLY 101 N 4.44 3.05 0.60 8.12 0.00 -1.26 -1.09 105.19 119.04 2otu n GLY 101 Ca -0.21 0.11 0.08 0.00 0.00 0.00 0.00 46.02 46.00 2otu n GLY 101 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2otu n TYR 102 N 8.76 0.00 -2.91 1.61 4.02 -1.26 -4.96 117.16 122.41 2otu n TYR 102 Ca 0.00 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.48 2otu n TYR 102 Cb 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 39.28 2otu n TYR 102 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 2otu s VAL 103 N -1.36 4.94 -0.01 -0.72 1.01 -0.25 -4.99 120.40 119.03 2otu s VAL 103 Ca 0.18 1.65 -0.25 0.00 0.00 0.00 0.00 61.98 63.56 2otu s VAL 103 Cb 0.13 -4.14 -0.18 0.00 0.00 0.00 0.00 36.38 32.19 2otu s VAL 103 CO 0.22 0.15 1.23 -0.50 0.00 0.00 0.00 175.10 176.19 2otu h TRP 104 N 6.99 -0.17 -2.98 5.22 4.06 -1.91 -0.82 115.95 126.32 2otu h TRP 104 Ca -0.36 -0.00 -0.72 0.00 2.06 0.00 0.00 58.89 59.86 2otu h TRP 104 Cb 1.18 0.06 -0.34 0.00 -1.00 0.00 0.00 29.16 29.05 2otu h TRP 104 CO 0.68 0.21 0.08 1.19 -3.56 0.00 0.00 178.44 177.04 2otu n PHE 105 N -4.99 3.67 0.04 0.49 0.99 -1.26 -1.67 117.46 114.73 2otu n PHE 105 Ca -0.09 -3.71 -0.18 0.00 -0.00 0.00 0.00 57.45 53.47 2otu n PHE 105 Cb 0.24 -1.09 -0.14 0.00 -1.00 0.00 0.00 39.48 37.49 2otu n PHE 105 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2otu h ALA 106 N 5.49 0.36 -3.88 4.37 0.00 -1.19 -3.46 119.26 120.95 2otu h ALA 106 Ca 0.18 -1.25 -0.66 0.00 0.00 0.00 0.00 54.91 53.18 2otu h ALA 106 Cb 0.73 0.47 -0.32 0.00 0.00 0.00 0.00 17.79 18.67 2otu h ALA 106 CO 0.99 1.23 -0.88 0.71 0.00 0.00 0.00 179.25 181.31 2otu s TYR 107 N -2.59 2.31 0.10 0.00 2.02 -0.14 -4.99 117.35 114.07 2otu s TYR 107 Ca -0.14 -0.73 0.09 0.00 -0.37 0.00 0.00 57.07 55.92 2otu s TYR 107 Cb 0.07 -1.53 -0.04 0.00 -0.40 0.00 0.00 41.96 40.06 2otu s TYR 107 CO 0.83 -0.24 -0.22 -1.58 -1.57 0.00 0.00 175.55 172.77 2otu s TRP 108 N -0.04 1.86 0.19 2.71 0.52 -1.26 -1.16 118.94 121.76 2otu s TRP 108 Ca -0.06 -0.41 -0.02 0.00 0.02 0.00 0.00 56.10 55.62 2otu s TRP 108 Cb -0.14 -1.02 0.04 0.00 -1.15 0.00 0.00 33.47 31.20 2otu s TRP 108 CO 0.04 0.22 0.26 0.41 0.02 0.00 0.00 176.95 177.90 2otu n GLY 109 N 1.09 -0.60 0.12 0.98 0.00 -0.69 -4.73 105.19 101.36 2otu n GLY 109 Ca -0.19 -1.77 0.12 0.00 0.00 0.00 0.00 46.02 44.18 2otu n GLY 109 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2otu h GLN 110 N 0.00 0.00 0.00 1.61 1.08 -1.91 -3.46 115.11 112.42 2otu h GLN 110 Ca -0.09 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.11 2otu h GLN 110 Cb 0.26 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.69 2otu h GLN 110 CO 0.07 0.00 0.00 0.41 -0.95 0.00 0.00 178.83 178.36 2otu n GLY 111 N 1.22 0.13 2.85 3.46 0.00 -1.26 -5.03 105.19 106.56 2otu n GLY 111 Ca 0.02 -1.63 -0.16 0.00 0.00 0.00 0.00 46.02 44.25 2otu n GLY 111 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2otu s THR 112 N -2.92 0.18 -0.10 2.61 -1.32 -0.53 -4.79 115.64 108.77 2otu s THR 112 Ca 0.00 0.01 -0.20 0.00 -1.21 0.00 0.00 61.69 60.30 2otu s THR 112 Cb 0.00 -0.23 -0.04 0.00 -1.51 0.00 0.00 72.50 70.72 2otu s THR 112 CO 0.00 0.11 0.55 -0.89 -2.21 0.00 0.00 174.62 172.18 2otu s THR 113 N 0.62 5.14 -0.21 5.08 2.01 -1.26 -0.29 115.64 126.73 2otu s THR 113 Ca -0.06 1.11 -0.04 0.00 0.31 0.00 0.00 61.69 63.01 2otu s THR 113 Cb -0.09 -3.89 -0.01 0.00 0.01 0.00 0.00 72.50 68.52 2otu s THR 113 CO -0.01 0.31 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.50 2otu s VAL 114 N 0.66 3.58 -0.28 3.82 1.01 -0.33 -1.87 120.40 126.99 2otu s VAL 114 Ca 0.30 -0.43 -0.02 0.00 0.00 0.00 0.00 61.98 61.82 2otu s VAL 114 Cb -0.16 -2.62 0.04 0.00 0.00 0.00 0.00 36.38 33.64 2otu s VAL 114 CO 0.13 0.43 -0.01 -0.89 0.00 0.00 0.00 175.10 174.75 2otu s THR 115 N 1.26 3.07 -0.31 3.92 2.01 -0.52 -1.79 115.64 123.28 2otu s THR 115 Ca 0.03 -1.17 -0.10 0.00 0.31 0.00 0.00 61.69 60.77 2otu s THR 115 Cb -0.14 -2.67 -0.01 0.00 0.01 0.00 0.00 72.50 69.69 2otu s THR 115 CO -0.01 0.02 0.15 -0.69 -0.69 0.00 0.00 174.62 173.41 2otu s VAL 116 N 1.31 4.59 -0.02 3.82 1.01 -1.26 -0.47 120.40 129.38 2otu s VAL 116 Ca -0.02 -0.42 -0.04 0.00 0.00 0.00 0.00 61.98 61.50 2otu s VAL 116 Cb -0.18 -3.34 0.00 0.00 0.00 0.00 0.00 36.38 32.86 2otu s VAL 116 CO -0.02 0.07 0.09 -0.55 0.00 0.00 0.00 175.10 174.69 2otu s SER 117 N 1.61 -0.04 0.00 3.32 0.15 -0.45 -4.70 113.70 113.58 2otu s SER 117 Ca 0.05 0.06 0.18 0.00 0.70 0.00 0.00 55.95 56.93 2otu s SER 117 Cb -0.17 0.19 1.06 0.00 -1.71 0.00 0.00 66.02 65.38 2otu s SER 117 CO 0.06 -0.11 1.46 -0.24 1.20 0.00 0.00 173.24 175.61