#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 3.71 -0.01 1.69 1.01 -1.26 -3.92 120.40 121.62 2otu s VAL 2 Ca 0.00 1.16 0.02 0.00 0.00 0.00 0.00 61.98 63.15 2otu s VAL 2 Cb 0.00 -3.74 0.00 0.00 0.00 0.00 0.00 36.38 32.64 2otu s VAL 2 CO 0.00 0.04 -0.06 -1.10 0.00 0.00 0.00 175.10 173.98 2otu s GLN 3 N 1.85 0.55 -0.06 2.72 -1.52 -0.23 -4.99 119.66 117.96 2otu s GLN 3 Ca 0.63 -0.19 0.00 0.00 -1.95 0.00 0.00 55.36 53.85 2otu s GLN 3 Cb -0.32 -0.54 0.02 0.00 -0.22 0.00 0.00 33.01 31.95 2otu s GLN 3 CO 0.27 0.09 -0.05 -0.51 -0.25 0.00 0.00 175.29 174.85 2otu s LEU 4 N 0.07 1.17 -0.21 2.90 1.43 -1.26 -1.68 118.68 121.10 2otu s LEU 4 Ca -0.00 -0.16 -0.01 0.00 -1.03 0.00 0.00 54.13 52.92 2otu s LEU 4 Cb -0.05 -0.55 0.06 0.00 0.03 0.00 0.00 46.19 45.68 2otu s LEU 4 CO -0.00 -0.09 -0.01 -1.58 0.23 0.00 0.00 176.35 174.90 2otu s GLN 5 N 1.26 1.11 0.41 1.70 2.00 -0.36 -3.62 119.66 122.15 2otu s GLN 5 Ca -0.05 -0.65 -0.12 0.00 -2.00 0.00 0.00 55.36 52.54 2otu s GLN 5 Cb -0.14 -2.28 -0.07 0.00 0.80 0.00 0.00 33.01 31.32 2otu s GLN 5 CO -0.02 -0.60 0.79 -1.21 -0.50 0.00 0.00 175.29 173.75 2otu s GLU 6 N 1.65 3.84 0.25 1.67 8.01 -1.26 -0.87 118.70 131.99 2otu s GLU 6 Ca -0.03 0.56 -0.18 0.00 0.01 0.00 0.00 54.97 55.34 2otu s GLU 6 Cb -0.18 -2.36 0.02 0.00 -4.31 0.00 0.00 34.13 27.30 2otu s GLU 6 CO -0.07 -0.04 0.60 -1.54 0.01 0.00 0.00 175.26 174.22 2otu s SER 7 N -3.01 -0.22 0.00 -0.19 1.04 -0.21 -4.73 113.70 106.38 2otu s SER 7 Ca 0.53 -0.65 0.00 0.00 0.48 0.00 0.00 55.95 56.30 2otu s SER 7 Cb -0.10 0.65 0.00 0.00 0.10 0.00 0.00 66.02 66.67 2otu s SER 7 CO 0.29 -1.21 0.00 0.61 0.98 0.00 0.00 173.24 173.91 2otu n GLY 8 N -0.41 1.23 3.65 7.32 0.00 -1.26 -1.54 105.19 114.18 2otu n GLY 8 Ca -0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.17 1.61 0.00 -0.02 0.00 -1.26 -4.79 107.32 100.69 2otu s GLY 9 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 44.72 44.74 2otu s GLY 9 CO 0.00 0.56 0.00 0.61 0.00 0.00 0.00 173.10 174.27 2otu n GLY 10 N -0.41 -1.45 3.68 0.20 0.00 -0.43 -4.92 105.19 101.86 2otu n GLY 10 Ca 0.07 -1.10 -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 4.20 0.14 0.99 1.43 -1.26 -1.22 118.68 122.96 2otu s LEU 11 Ca 0.00 0.90 0.03 0.00 -1.03 0.00 0.00 54.13 54.03 2otu s LEU 11 Cb 0.00 -2.89 -0.04 0.00 0.03 0.00 0.00 46.19 43.28 2otu s LEU 11 CO 0.00 -0.20 -0.07 0.68 0.23 0.00 0.00 176.35 176.99 2otu s VAL 12 N 1.47 0.96 0.15 -1.59 -7.23 0.42 -4.97 120.40 109.61 2otu s VAL 12 Ca 0.30 -2.01 -0.07 0.00 -1.81 0.00 0.00 61.98 58.38 2otu s VAL 12 Cb -0.16 -1.86 -0.06 0.00 0.56 0.00 0.00 36.38 34.86 2otu s VAL 12 CO 0.12 -0.73 0.43 -1.10 -0.31 0.00 0.00 175.10 173.51 2otu s GLN 13 N -3.80 3.71 0.37 4.82 -0.21 -1.26 -0.44 119.66 122.85 2otu s GLN 13 Ca 0.17 0.09 -0.28 0.00 0.02 0.00 0.00 55.36 55.36 2otu s GLN 13 Cb 0.04 -2.83 -0.11 0.00 1.00 0.00 0.00 33.01 31.11 2otu s GLN 13 CO -0.00 0.45 1.39 -2.30 -2.12 0.00 0.00 175.29 172.71 2otu n PRO 14 N 0.23 2.38 0.00 2.91 -0.02 -1.26 -0.20 135.00 139.04 2otu n PRO 14 Ca -0.03 0.84 0.00 0.00 -2.02 0.00 0.00 63.50 62.29 2otu n PRO 14 Cb 0.52 -2.52 0.00 0.00 -0.02 0.00 0.00 33.50 31.48 2otu n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2otu n GLY 15 N 0.61 2.20 0.66 -1.23 0.00 0.14 -4.89 105.19 102.69 2otu n GLY 15 Ca 0.03 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.00 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 -1.39 3.33 -0.02 0.00 0.72 -4.03 105.19 101.79 2otu n GLY 16 Ca 0.00 -1.64 -0.10 0.00 0.00 0.00 0.00 46.02 44.28 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 -1.88 -0.05 -0.02 1.61 1.04 -1.26 -2.19 113.70 110.96 2otu s SER 17 Ca 0.13 -0.62 -0.29 0.00 0.48 0.00 0.00 55.95 55.65 2otu s SER 17 Cb -0.00 0.44 0.11 0.00 0.10 0.00 0.00 66.02 66.66 2otu s SER 17 CO 0.09 -0.87 0.92 -1.48 0.98 0.00 0.00 173.24 172.89 2otu s LEU 18 N -2.89 -0.34 -0.11 2.42 2.34 -0.46 -5.00 118.68 114.65 2otu s LEU 18 Ca 0.09 -0.01 0.03 0.00 0.06 0.00 0.00 54.13 54.30 2otu s LEU 18 Cb 0.03 1.96 0.01 0.00 -0.56 0.00 0.00 46.19 47.63 2otu s LEU 18 CO -0.06 -0.59 -0.19 -0.75 -1.06 0.00 0.00 176.35 173.70 2otu s LYS 19 N -3.05 2.64 0.13 1.48 2.20 -1.26 -0.49 119.74 121.38 2otu s LYS 19 Ca 0.06 -0.72 -0.02 0.00 -0.36 0.00 0.00 55.97 54.92 2otu s LYS 19 Cb -0.01 -2.12 -0.05 0.00 -1.51 0.00 0.00 37.83 34.14 2otu s LYS 19 CO -0.08 0.02 0.32 -0.51 -0.36 0.00 0.00 175.35 174.74 2otu s LEU 20 N 0.74 4.29 0.16 5.43 1.43 0.18 -4.71 118.68 126.20 2otu s LEU 20 Ca -0.11 0.43 0.07 0.00 -1.03 0.00 0.00 54.13 53.50 2otu s LEU 20 Cb -0.16 -3.15 -0.04 0.00 0.03 0.00 0.00 46.19 42.86 2otu s LEU 20 CO 0.01 0.08 -0.15 -0.44 0.23 0.00 0.00 176.35 176.08 2otu s SER 21 N -2.61 2.35 -0.11 2.29 0.01 -0.59 -1.32 113.70 113.72 2otu s SER 21 Ca 0.38 -0.91 -0.04 0.00 1.31 0.00 0.00 55.95 56.70 2otu s SER 21 Cb -0.12 -0.11 0.05 0.00 0.21 0.00 0.00 66.02 66.05 2otu s SER 21 CO 0.27 -0.14 0.15 0.00 0.41 0.00 0.00 173.24 173.93 2otu s ALA 23 N 2.26 3.61 -0.00 0.00 0.00 -0.05 -1.05 121.76 126.53 2otu s ALA 23 Ca 0.04 -0.42 -0.00 0.00 0.00 0.00 0.00 51.96 51.57 2otu s ALA 23 Cb -0.13 -3.04 -0.04 0.00 0.00 0.00 0.00 23.12 19.91 2otu s ALA 23 CO -0.07 -0.80 0.08 0.00 0.00 0.00 0.00 175.76 174.96 2otu s ALA 24 N 2.50 3.57 0.17 0.00 0.00 -0.41 -1.22 121.76 126.36 2otu s ALA 24 Ca 0.26 -0.88 -0.21 0.00 0.00 0.00 0.00 51.96 51.13 2otu s ALA 24 Cb -0.15 -1.56 0.05 0.00 0.00 0.00 0.00 23.12 21.46 2otu s ALA 24 CO 0.08 0.69 0.57 -1.54 0.00 0.00 0.00 175.76 175.56 2otu s SER 25 N -1.74 -0.45 0.00 0.00 1.04 -0.68 -4.85 113.70 107.02 2otu s SER 25 Ca 0.23 -0.17 0.00 0.00 0.48 0.00 0.00 55.95 56.49 2otu s SER 25 Cb -0.12 0.59 0.00 0.00 0.10 0.00 0.00 66.02 66.59 2otu s SER 25 CO 0.14 -1.00 0.00 0.61 0.98 0.00 0.00 173.24 173.97 2otu n GLY 26 N -0.36 0.74 3.70 7.32 0.00 -1.25 -1.07 105.19 114.27 2otu n GLY 26 Ca -0.15 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.75 -0.32 -0.91 1.61 -0.12 -1.26 -3.96 117.98 110.27 2otu s PHE 27 Ca 0.00 -0.05 -0.24 0.00 -0.05 0.00 0.00 56.93 56.59 2otu s PHE 27 Cb 0.00 0.65 0.05 0.00 -0.63 0.00 0.00 43.02 43.09 2otu s PHE 27 CO 0.00 -1.10 1.35 0.99 -0.05 0.00 0.00 175.22 176.42 2otu s THR 28 N -3.85 3.91 0.20 -4.49 2.01 -1.26 -4.89 115.64 107.28 2otu s THR 28 Ca 0.07 -0.39 -0.18 0.00 0.31 0.00 0.00 61.69 61.50 2otu s THR 28 Cb -0.04 -4.98 0.19 0.00 0.01 0.00 0.00 72.50 67.68 2otu s THR 28 CO -0.00 -1.87 1.59 0.15 -0.69 0.00 0.00 174.62 173.80 2otu h PHE 29 N 9.81 -0.76 0.00 4.92 3.57 -1.95 -0.80 116.94 131.73 2otu h PHE 29 Ca 0.02 0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.59 2otu h PHE 29 Cb 1.03 0.44 0.00 0.00 2.79 0.00 0.00 35.95 40.20 2otu h PHE 29 CO 1.21 -0.36 0.00 2.89 -2.23 0.00 0.00 178.31 179.82 2otu n ARG 30 N -5.46 0.00 0.00 1.11 1.85 -1.26 -2.19 116.66 110.72 2otu n ARG 30 Ca 0.07 0.42 0.13 0.00 -1.00 0.00 0.00 57.85 57.47 2otu n ARG 30 Cb 0.37 -1.50 0.45 0.00 -1.05 0.00 0.00 32.46 30.72 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 -1.50 0.95 -4.26 2.89 8.00 -0.31 -4.74 116.55 117.58 2otu n ASP 31 Ca 0.01 -0.89 -0.21 0.00 0.71 0.00 0.00 54.79 54.41 2otu n ASP 31 Cb 0.05 0.07 -0.12 0.00 -0.02 0.00 0.00 41.12 41.11 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 -2.44 1.61 0.49 1.24 1.51 -0.93 -4.99 117.35 113.85 2otu s TYR 32 Ca 0.27 -0.46 -0.21 0.00 -1.01 0.00 0.00 57.07 55.66 2otu s TYR 32 Cb 0.20 -0.86 -0.08 0.00 -0.11 0.00 0.00 41.96 41.11 2otu s TYR 32 CO 0.49 0.19 1.09 0.71 -1.11 0.00 0.00 175.55 176.92 2otu s TYR 33 N -1.54 2.91 0.15 2.71 2.02 -1.26 -4.29 117.35 118.05 2otu s TYR 33 Ca 0.07 1.57 0.07 0.00 -0.37 0.00 0.00 57.07 58.41 2otu s TYR 33 Cb -0.08 -3.20 -0.04 0.00 -0.40 0.00 0.00 41.96 38.24 2otu s TYR 33 CO 0.04 -1.16 -0.15 -1.64 -1.57 0.00 0.00 175.55 171.07 2otu s MET 34 N -3.05 1.16 0.12 -0.62 -1.94 -0.78 -4.37 119.30 109.81 2otu s MET 34 Ca 0.67 -1.36 -0.02 0.00 -1.71 0.00 0.00 55.69 53.28 2otu s MET 34 Cb -0.22 -1.08 -0.04 0.00 2.01 0.00 0.00 34.83 35.51 2otu s MET 34 CO 0.26 0.21 0.06 0.71 -0.01 0.00 0.00 175.02 176.24 2otu s TYR 35 N -2.27 0.75 -0.03 -0.03 2.02 -0.61 -1.60 117.35 115.58 2otu s TYR 35 Ca 0.14 -1.16 0.04 0.00 -0.37 0.00 0.00 57.07 55.72 2otu s TYR 35 Cb -0.04 -0.42 -0.00 0.00 -0.40 0.00 0.00 41.96 41.09 2otu s TYR 35 CO 0.05 -0.51 -0.16 -1.58 -1.57 0.00 0.00 175.55 171.78 2otu s TRP 36 N -4.02 1.51 0.03 2.71 0.52 -0.70 -1.06 118.94 117.94 2otu s TRP 36 Ca 0.20 -0.38 0.02 0.00 0.02 0.00 0.00 56.10 55.96 2otu s TRP 36 Cb 0.07 -1.01 -0.02 0.00 -1.15 0.00 0.00 33.47 31.36 2otu s TRP 36 CO -0.01 -0.11 -0.07 0.08 0.02 0.00 0.00 176.95 176.86 2otu s VAL 37 N -0.06 0.47 0.17 4.03 1.01 0.58 -1.09 120.40 125.50 2otu s VAL 37 Ca -0.01 -0.81 0.07 0.00 0.00 0.00 0.00 61.98 61.23 2otu s VAL 37 Cb -0.09 -0.50 -0.04 0.00 0.00 0.00 0.00 36.38 35.74 2otu s VAL 37 CO 0.01 -0.24 -0.14 0.00 0.00 0.00 0.00 175.10 174.73 2otu s ARG 38 N -1.14 1.20 -0.12 2.72 1.70 -0.07 0.28 118.95 123.53 2otu s ARG 38 Ca -0.07 -1.46 -0.00 0.00 -0.47 0.00 0.00 55.73 53.73 2otu s ARG 38 Cb -0.08 -1.01 0.02 0.00 -0.57 0.00 0.00 34.95 33.32 2otu s ARG 38 CO 0.00 0.17 -0.09 -1.14 -1.08 0.00 0.00 175.30 173.17 2otu s GLN 39 N -3.32 1.66 0.84 3.89 0.74 0.24 -0.91 119.66 122.80 2otu s GLN 39 Ca 0.17 -0.31 -0.11 0.00 0.05 0.00 0.00 55.36 55.16 2otu s GLN 39 Cb -0.02 -1.67 0.10 0.00 1.10 0.00 0.00 33.01 32.52 2otu s GLN 39 CO 0.05 -0.25 1.09 0.95 -0.55 0.00 0.00 175.29 176.57 2otu s THR 40 N 1.65 2.95 0.62 -0.34 -4.23 -0.30 -1.03 115.64 114.95 2otu s THR 40 Ca 0.04 0.31 0.33 0.00 -1.18 0.00 0.00 61.69 61.19 2otu s THR 40 Cb -0.13 -2.84 0.37 0.00 1.34 0.00 0.00 72.50 71.24 2otu s THR 40 CO -0.08 -0.40 2.19 -0.65 -0.54 0.00 0.00 174.62 175.14 2otu h PRO 41 N -1.33 0.00 -0.00 3.99 0.11 -1.91 0.47 132.00 133.33 2otu h PRO 41 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2otu h PRO 41 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 2otu h PRO 41 CO 0.55 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.73 2otu n GLU 42 N -3.55 1.01 -1.00 1.05 4.71 -1.26 -4.88 120.64 116.71 2otu n GLU 42 Ca -0.01 -0.01 0.00 0.00 -0.01 0.00 0.00 57.16 57.13 2otu n GLU 42 Cb 0.20 -1.40 0.00 0.00 -1.01 0.00 0.00 31.44 29.23 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 -0.89 -0.02 -2.94 3.49 4.76 0.17 -5.03 118.16 117.70 2otu n LYS 43 Ca 0.19 0.01 -0.40 0.00 -2.87 0.00 0.00 58.31 55.23 2otu n LYS 43 Cb 0.09 -3.00 -0.05 0.00 -1.84 0.00 0.00 35.03 30.23 2otu n LYS 43 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 2otu s ARG 44 N -0.02 4.51 0.06 1.97 3.52 -1.25 -4.77 118.95 122.98 2otu s ARG 44 Ca 0.00 1.11 -0.17 0.00 -0.13 0.00 0.00 55.73 56.54 2otu s ARG 44 Cb 0.00 -3.39 -0.06 0.00 -1.56 0.00 0.00 34.95 29.94 2otu s ARG 44 CO 0.00 0.21 0.51 -0.51 -0.81 0.00 0.00 175.30 174.70 2otu s LEU 45 N 0.19 4.47 -0.11 -0.88 1.43 -1.26 -1.15 118.68 121.38 2otu s LEU 45 Ca 0.41 1.12 -0.05 0.00 -1.03 0.00 0.00 54.13 54.58 2otu s LEU 45 Cb -0.20 -2.87 0.05 0.00 0.03 0.00 0.00 46.19 43.19 2otu s LEU 45 CO 0.23 0.26 0.23 -0.70 0.23 0.00 0.00 176.35 176.60 2otu s GLU 46 N -1.29 0.16 0.23 1.70 2.12 -0.09 -5.00 118.70 116.54 2otu s GLU 46 Ca 0.29 0.60 -0.30 0.00 0.36 0.00 0.00 54.97 55.92 2otu s GLU 46 Cb -0.18 -0.11 -0.09 0.00 0.26 0.00 0.00 34.13 34.01 2otu s GLU 46 CO 0.17 -0.22 1.34 -0.46 -0.54 0.00 0.00 175.26 175.55 2otu s TRP 47 N 1.78 3.17 -0.09 5.30 -0.00 -1.26 -0.89 118.94 126.96 2otu s TRP 47 Ca -0.04 1.21 0.03 0.00 -0.00 0.00 0.00 56.10 57.30 2otu s TRP 47 Cb -0.11 -3.66 -0.08 0.00 -0.00 0.00 0.00 33.47 29.62 2otu s TRP 47 CO -0.08 -2.06 -0.04 0.28 -0.00 0.00 0.00 176.95 175.06 2otu n VAL 48 N 2.25 0.53 -3.50 5.86 0.31 -0.25 -4.64 118.33 118.88 2otu n VAL 48 Ca 0.05 -0.26 -0.14 0.00 -0.01 0.00 0.00 64.34 63.98 2otu n VAL 48 Cb 0.42 -0.82 -0.04 0.00 -0.91 0.00 0.00 33.84 32.48 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 -2.19 -1.77 0.00 3.52 0.00 -0.94 -4.21 121.76 116.18 2otu s ALA 49 Ca -0.09 1.13 0.02 0.00 0.00 0.00 0.00 51.96 53.03 2otu s ALA 49 Cb 0.03 0.14 -0.01 0.00 0.00 0.00 0.00 23.12 23.28 2otu s ALA 49 CO 0.26 -0.49 -0.07 0.12 0.00 0.00 0.00 175.76 175.58 2otu s PHE 50 N -2.03 0.62 -0.03 0.00 5.36 -0.53 -1.73 117.98 119.64 2otu s PHE 50 Ca -0.04 -0.18 -0.02 0.00 -0.96 0.00 0.00 56.93 55.73 2otu s PHE 50 Cb -0.00 -0.39 0.02 0.00 -0.34 0.00 0.00 43.02 42.30 2otu s PHE 50 CO 0.01 -0.02 0.07 -1.50 -1.46 0.00 0.00 175.22 172.32 2otu s ILE 51 N -0.36 -0.02 1.02 3.12 2.07 -0.62 -1.91 121.20 124.50 2otu s ILE 51 Ca 0.01 0.08 -0.15 0.00 -1.41 0.00 0.00 60.65 59.18 2otu s ILE 51 Cb -0.04 -0.12 0.20 0.00 0.13 0.00 0.00 42.46 42.63 2otu s ILE 51 CO -0.00 0.03 1.15 -0.94 -1.91 0.00 0.00 174.94 173.27 2otu s SER 52 N 0.46 2.55 0.17 4.50 1.04 -0.20 -1.87 113.70 120.34 2otu s SER 52 Ca -0.04 0.79 -0.21 0.00 0.48 0.00 0.00 55.95 56.97 2otu s SER 52 Cb -0.05 -1.20 0.09 0.00 0.10 0.00 0.00 66.02 64.96 2otu s SER 52 CO -0.02 -3.13 1.60 0.78 0.98 0.00 0.00 173.24 173.45 2otu h ASN 53 N -1.90 -0.99 -0.08 7.02 4.21 -1.86 -2.65 115.58 119.34 2otu h ASN 53 Ca -0.49 0.19 0.00 0.00 1.21 0.00 0.00 56.30 57.21 2otu h ASN 53 Cb 1.31 0.48 0.00 0.00 -1.12 0.00 0.00 38.32 38.99 2otu h ASN 53 CO 0.50 -0.30 0.00 0.61 -1.29 0.00 0.00 177.43 176.95 2otu n GLY 54 N -1.42 0.54 1.14 2.83 0.00 -1.26 -4.88 105.19 102.16 2otu n GLY 54 Ca 0.02 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.49 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 1.26 0.91 0.28 -0.02 0.00 -1.00 -4.95 105.19 101.66 2otu n GLY 55 Ca 0.17 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.35 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 0.00 -5.65 -0.02 0.00 -1.93 -3.42 103.07 92.05 2otu h GLY 56 Ca 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.80 2otu h GLY 56 CO 0.00 0.00 -0.82 -0.56 0.00 0.00 0.00 176.54 175.16 2otu s SER 57 N -5.78 1.89 0.01 0.19 0.01 -1.26 -5.02 113.70 103.73 2otu s SER 57 Ca -0.01 -0.32 0.02 0.00 1.31 0.00 0.00 55.95 56.95 2otu s SER 57 Cb 0.11 -0.75 -0.01 0.00 0.21 0.00 0.00 66.02 65.58 2otu s SER 57 CO 0.54 0.07 -0.05 0.42 0.41 0.00 0.00 173.24 174.63 2otu s THR 58 N 0.45 0.40 0.03 1.44 -4.23 -1.26 -1.03 115.64 111.43 2otu s THR 58 Ca -0.11 -0.40 0.01 0.00 -1.18 0.00 0.00 61.69 60.01 2otu s THR 58 Cb -0.14 -0.37 -0.02 0.00 1.34 0.00 0.00 72.50 73.30 2otu s THR 58 CO 0.03 -0.01 -0.06 -0.31 -0.54 0.00 0.00 174.62 173.73 2otu s TYR 59 N -0.41 0.47 0.03 3.99 2.02 -0.80 -4.99 117.35 117.67 2otu s TYR 59 Ca -0.01 -0.47 -0.10 0.00 -0.37 0.00 0.00 57.07 56.12 2otu s TYR 59 Cb -0.04 -0.30 0.01 0.00 -0.40 0.00 0.00 41.96 41.23 2otu s TYR 59 CO -0.00 -0.12 0.21 0.71 -1.57 0.00 0.00 175.55 174.78 2otu s TYR 60 N -1.29 0.03 0.69 2.71 2.02 -1.26 -1.45 117.35 118.79 2otu s TYR 60 Ca -0.11 -0.21 -0.11 0.00 -0.37 0.00 0.00 57.07 56.26 2otu s TYR 60 Cb -0.09 -0.01 0.00 0.00 -0.40 0.00 0.00 41.96 41.46 2otu s TYR 60 CO -0.00 -0.42 1.08 -1.25 -1.57 0.00 0.00 175.55 173.38 2otu s PRO 61 N -2.41 2.99 0.47 -1.71 0.04 -1.26 -4.78 135.00 128.33 2otu s PRO 61 Ca -0.06 0.61 0.20 0.00 0.04 0.00 0.00 61.00 61.78 2otu s PRO 61 Cb -0.02 -2.02 1.19 0.00 0.04 0.00 0.00 34.50 33.69 2otu s PRO 61 CO -0.03 -0.98 1.95 -0.44 0.04 0.00 0.00 177.00 177.55 2otu h ASP 62 N -0.62 0.23 -0.10 6.66 3.32 -1.97 -2.14 116.42 121.80 2otu h ASP 62 Ca -0.45 0.01 0.03 0.00 0.02 0.00 0.00 57.03 56.64 2otu h ASP 62 Cb 1.23 -0.03 -0.00 0.00 0.22 0.00 0.00 39.33 40.75 2otu h ASP 62 CO 0.62 0.12 0.08 0.71 -1.72 0.00 0.00 179.24 179.05 2otu h THR 63 N 0.24 0.83 0.00 0.35 1.35 -1.98 -3.25 112.91 110.46 2otu h THR 63 Ca 0.32 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.18 2otu h THR 63 Cb 0.91 0.94 0.00 0.00 -1.73 0.00 0.00 68.15 68.28 2otu h THR 63 CO -0.07 0.00 0.00 1.33 -0.25 0.00 0.00 175.52 176.53 2otu n VAL 64 N -4.33 0.00 -1.65 6.82 0.24 -1.00 -5.00 118.33 113.40 2otu n VAL 64 Ca -0.01 -0.38 -0.47 0.00 -2.04 0.00 0.00 64.34 61.45 2otu n VAL 64 Cb 0.19 1.08 -0.04 0.00 -1.47 0.00 0.00 33.84 33.60 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 -0.52 1.91 0.00 7.34 4.81 -0.84 -0.99 118.16 129.88 2otu n LYS 65 Ca 0.00 0.69 0.00 0.00 -0.87 0.00 0.00 58.31 58.13 2otu n LYS 65 Cb 0.02 -2.42 0.00 0.00 0.02 0.00 0.00 35.03 32.65 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 3.08 2.17 0.03 3.14 0.00 -1.26 -4.79 105.19 107.55 2otu n GLY 66 Ca 0.17 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.15 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 -2.00 1.29 -4.02 1.61 1.74 -0.16 -5.03 116.66 110.09 2otu n ARG 67 Ca 0.00 0.02 -0.32 0.00 -0.77 0.00 0.00 57.85 56.78 2otu n ARG 67 Cb 0.00 -1.14 -0.06 0.00 -1.02 0.00 0.00 32.46 30.24 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 -2.13 3.37 -0.07 -1.55 0.40 -0.72 -1.74 117.98 115.54 2otu s PHE 68 Ca -0.07 0.24 -0.00 0.00 -0.60 0.00 0.00 56.93 56.49 2otu s PHE 68 Cb 0.02 -1.75 0.03 0.00 0.51 0.00 0.00 43.02 41.83 2otu s PHE 68 CO 0.18 0.58 -0.02 0.99 0.70 0.00 0.00 175.22 177.64 2otu s THR 69 N -1.29 0.52 -0.08 0.64 2.01 0.04 -4.86 115.64 112.62 2otu s THR 69 Ca 0.26 -0.01 -0.10 0.00 0.31 0.00 0.00 61.69 62.15 2otu s THR 69 Cb -0.12 -0.62 -0.05 0.00 0.01 0.00 0.00 72.50 71.72 2otu s THR 69 CO 0.18 0.27 0.24 -0.51 -0.69 0.00 0.00 174.62 174.11 2otu s ILE 70 N 1.62 5.32 0.21 1.82 2.07 -1.26 -0.53 121.20 130.45 2otu s ILE 70 Ca 0.00 0.46 -0.08 0.00 -1.41 0.00 0.00 60.65 59.62 2otu s ILE 70 Cb -0.13 -3.53 -0.02 0.00 0.13 0.00 0.00 42.46 38.92 2otu s ILE 70 CO -0.04 0.59 0.32 -0.94 -1.91 0.00 0.00 174.94 172.97 2otu s SER 71 N -0.97 0.02 0.02 4.50 1.04 -0.92 -5.01 113.70 112.37 2otu s SER 71 Ca 0.18 -1.06 -0.14 0.00 0.48 0.00 0.00 55.95 55.41 2otu s SER 71 Cb -0.14 0.49 0.02 0.00 0.10 0.00 0.00 66.02 66.49 2otu s SER 71 CO 0.07 -0.99 0.31 0.00 0.98 0.00 0.00 173.24 173.61 2otu s ARG 72 N -4.05 0.76 -0.38 4.02 1.70 -1.26 -0.56 118.95 119.17 2otu s ARG 72 Ca 0.27 -0.39 0.02 0.00 -0.47 0.00 0.00 55.73 55.16 2otu s ARG 72 Cb 0.03 0.33 0.11 0.00 -0.57 0.00 0.00 34.95 34.85 2otu s ARG 72 CO 0.08 -0.23 0.13 0.34 -1.08 0.00 0.00 175.30 174.54 2otu s ASP 73 N -1.80 4.28 0.42 -2.89 3.68 -0.20 -4.99 116.67 115.18 2otu s ASP 73 Ca -0.08 -2.22 0.11 0.00 2.13 0.00 0.00 52.55 52.49 2otu s ASP 73 Cb -0.02 -1.30 0.90 0.00 -1.45 0.00 0.00 42.92 41.05 2otu s ASP 73 CO -0.01 -0.35 1.98 0.78 0.13 0.00 0.00 175.17 177.71 2otu h ASN 74 N 7.42 0.19 -0.36 -0.34 2.35 -1.94 -0.09 115.58 122.82 2otu h ASN 74 Ca -0.07 -0.03 -0.07 0.00 -0.55 0.00 0.00 56.30 55.58 2otu h ASN 74 Cb 0.98 -0.05 -0.02 0.00 0.05 0.00 0.00 38.32 39.28 2otu h ASN 74 CO 0.52 0.29 -0.03 0.00 -1.65 0.00 0.00 177.43 176.57 2otu h ALA 75 N 1.74 1.11 -0.10 -0.83 0.00 -1.96 -2.80 119.26 116.42 2otu h ALA 75 Ca 0.05 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2otu h ALA 75 Cb 0.24 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2otu h ALA 75 CO 0.01 0.56 0.00 1.63 0.00 0.00 0.00 179.25 181.45 2otu n LYS 76 N -4.21 2.06 -3.86 0.00 5.02 -0.81 -4.97 118.16 111.39 2otu n LYS 76 Ca 0.02 -1.55 -0.26 0.00 -2.02 0.00 0.00 58.31 54.50 2otu n LYS 76 Cb 0.31 -1.47 0.02 0.00 -0.02 0.00 0.00 35.03 33.87 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 0.85 -2.33 -4.09 4.39 4.13 -0.11 -4.85 115.26 113.25 2otu n ASN 77 Ca 0.17 -0.86 -0.21 0.00 1.68 0.00 0.00 54.58 55.36 2otu n ASN 77 Cb 0.48 -3.70 -0.15 0.00 -1.54 0.00 0.00 39.78 34.88 2otu n ASN 77 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 2otu s THR 78 N -3.58 1.00 0.05 3.41 2.01 -0.96 -1.29 115.64 116.28 2otu s THR 78 Ca 0.27 -0.61 0.05 0.00 0.31 0.00 0.00 61.69 61.72 2otu s THR 78 Cb -0.14 -0.84 -0.04 0.00 0.01 0.00 0.00 72.50 71.49 2otu s THR 78 CO 0.84 0.23 -0.06 -0.22 -0.69 0.00 0.00 174.62 174.73 2otu s LEU 79 N -0.43 3.22 0.11 4.42 2.96 -0.22 -1.04 118.68 127.71 2otu s LEU 79 Ca 0.04 -0.22 0.04 0.00 -0.22 0.00 0.00 54.13 53.78 2otu s LEU 79 Cb -0.05 -1.93 -0.04 0.00 0.50 0.00 0.00 46.19 44.67 2otu s LEU 79 CO -0.00 0.22 -0.10 -0.31 -1.32 0.00 0.00 176.35 174.84 2otu s TYR 80 N -1.14 1.12 -0.19 5.38 2.02 0.27 -0.23 117.35 124.57 2otu s TYR 80 Ca 0.21 -0.68 -0.04 0.00 -0.37 0.00 0.00 57.07 56.18 2otu s TYR 80 Cb -0.11 -0.60 0.07 0.00 -0.40 0.00 0.00 41.96 40.91 2otu s TYR 80 CO 0.12 0.02 0.08 -1.17 -1.57 0.00 0.00 175.55 173.03 2otu s LEU 81 N -2.62 0.62 -0.21 -1.29 2.96 -0.43 -2.17 118.68 115.53 2otu s LEU 81 Ca 0.08 -0.76 -0.19 0.00 -0.22 0.00 0.00 54.13 53.04 2otu s LEU 81 Cb -0.02 -0.36 -0.03 0.00 0.50 0.00 0.00 46.19 46.29 2otu s LEU 81 CO 0.00 -0.35 0.54 -1.58 -1.32 0.00 0.00 176.35 173.64 2otu s GLN 82 N 2.05 4.18 -0.17 1.98 2.00 0.31 -0.65 119.66 129.36 2otu s GLN 82 Ca 0.02 0.45 -0.02 0.00 -2.00 0.00 0.00 55.36 53.81 2otu s GLN 82 Cb -0.16 -3.58 -0.01 0.00 0.80 0.00 0.00 33.01 30.06 2otu s GLN 82 CO -0.12 -0.20 -0.09 -1.64 -0.50 0.00 0.00 175.29 172.74 2otu s MET 83 N 1.79 3.40 0.31 1.67 -1.94 0.36 -0.78 119.30 124.11 2otu s MET 83 Ca 0.25 -0.65 0.06 0.00 -1.71 0.00 0.00 55.69 53.64 2otu s MET 83 Cb -0.16 -2.81 -0.06 0.00 2.01 0.00 0.00 34.83 33.82 2otu s MET 83 CO 0.10 0.04 -0.03 -1.12 -0.01 0.00 0.00 175.02 174.00 2otu s SER 84 N 0.82 2.90 -1.40 3.03 0.01 -0.71 -1.35 113.70 117.00 2otu s SER 84 Ca -0.03 -1.24 -0.10 0.00 1.31 0.00 0.00 55.95 55.89 2otu s SER 84 Cb -0.15 -0.19 0.01 0.00 0.21 0.00 0.00 66.02 65.90 2otu s SER 84 CO 0.01 -0.39 0.18 0.54 0.41 0.00 0.00 173.24 174.00 2otu n ARG 85 N -0.66 -0.74 -1.74 12.44 1.74 -1.06 -4.75 116.66 121.90 2otu n ARG 85 Ca -0.05 0.07 -0.41 0.00 -0.77 0.00 0.00 57.85 56.69 2otu n ARG 85 Cb 0.64 -3.13 0.01 0.00 -1.02 0.00 0.00 32.46 28.96 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 -4.60 4.48 -4.52 0.55 4.77 -0.93 -4.58 117.00 112.17 2otu n LEU 86 Ca -0.26 1.17 -0.24 0.00 -0.03 0.00 0.00 56.01 56.65 2otu n LEU 86 Cb 0.64 -1.56 -0.09 0.00 -2.33 0.00 0.00 43.42 40.07 2otu n LEU 86 CO 0.79 -0.23 -0.43 -0.54 -1.33 0.00 0.00 177.39 175.64 2otu s LYS 87 N -2.18 1.86 0.54 3.23 1.02 -1.26 0.26 119.74 123.21 2otu s LYS 87 Ca 0.58 -1.67 0.21 0.00 0.02 0.00 0.00 55.97 55.10 2otu s LYS 87 Cb -0.49 -1.88 1.42 0.00 -0.52 0.00 0.00 37.83 36.35 2otu s LYS 87 CO 0.60 0.34 2.15 0.77 -0.92 0.00 0.00 175.35 178.29 2otu h SER 88 N 2.15 0.00 0.54 2.83 0.02 -1.88 -0.36 113.55 116.85 2otu h SER 88 Ca -0.41 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.54 2otu h SER 88 Cb 1.26 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.80 2otu h SER 88 CO 0.60 0.00 0.00 -0.62 -1.14 0.00 0.00 176.83 175.67 2otu n GLU 89 N -4.34 0.18 0.00 3.45 4.71 -1.26 -2.26 120.64 121.12 2otu n GLU 89 Ca -0.01 0.47 0.15 0.00 -0.01 0.00 0.00 57.16 57.76 2otu n GLU 89 Cb 0.16 -1.88 0.70 0.00 -1.01 0.00 0.00 31.44 29.40 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 -2.22 0.16 -4.69 1.62 8.00 -0.14 -4.83 116.55 114.45 2otu n ASP 90 Ca 0.01 -0.27 -0.42 0.00 0.71 0.00 0.00 54.79 54.82 2otu n ASP 90 Cb 0.18 -0.21 -0.03 0.00 -0.02 0.00 0.00 41.12 41.04 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 -2.56 2.87 0.00 -3.53 2.01 -0.96 -4.87 115.64 108.60 2otu s THR 91 Ca 0.28 0.28 0.00 0.00 0.31 0.00 0.00 61.69 62.56 2otu s THR 91 Cb 0.20 -3.18 0.00 0.00 0.01 0.00 0.00 72.50 69.53 2otu s THR 91 CO 0.47 -0.00 0.00 0.00 -0.69 0.00 0.00 174.62 174.40 2otu n ALA 92 N 5.93 0.00 -2.67 7.40 0.00 -0.56 -4.37 120.51 126.23 2otu n ALA 92 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.22 2otu n ALA 92 Cb 0.40 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.79 2otu n ALA 92 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 2otu s MET 93 N -2.00 4.24 -0.19 0.00 -2.45 -0.20 -1.11 119.30 117.58 2otu s MET 93 Ca 0.00 0.52 -0.08 0.00 -1.25 0.00 0.00 55.69 54.88 2otu s MET 93 Cb 0.00 -3.54 -0.04 0.00 1.25 0.00 0.00 34.83 32.50 2otu s MET 93 CO 0.00 -0.12 0.08 0.71 1.05 0.00 0.00 175.02 176.74 2otu s TYR 94 N 1.53 3.28 -0.02 4.11 1.51 0.34 -0.60 117.35 127.50 2otu s TYR 94 Ca 0.27 0.12 0.07 0.00 -1.01 0.00 0.00 57.07 56.52 2otu s TYR 94 Cb -0.16 -2.12 -0.02 0.00 -0.11 0.00 0.00 41.96 39.55 2otu s TYR 94 CO 0.10 0.16 -0.23 0.71 -1.11 0.00 0.00 175.55 175.18 2otu s TYR 95 N 0.47 2.42 0.13 2.71 1.51 0.14 -1.48 117.35 123.25 2otu s TYR 95 Ca 0.05 -0.37 -0.03 0.00 -1.01 0.00 0.00 57.07 55.71 2otu s TYR 95 Cb -0.12 -1.52 -0.05 0.00 -0.11 0.00 0.00 41.96 40.16 2otu s TYR 95 CO 0.00 0.03 0.33 0.00 -1.11 0.00 0.00 175.55 174.80 2otu s ALA 97 N -1.65 -0.22 0.06 0.00 0.00 -0.22 -1.70 121.76 118.03 2otu s ALA 97 Ca 0.39 -0.52 0.04 0.00 0.00 0.00 0.00 51.96 51.87 2otu s ALA 97 Cb -0.12 0.37 -0.03 0.00 0.00 0.00 0.00 23.12 23.35 2otu s ALA 97 CO 0.26 -0.43 -0.12 0.50 0.00 0.00 0.00 175.76 175.98 2otu s ARG 98 N -3.26 0.74 0.43 0.00 3.52 -0.55 -1.58 118.95 118.25 2otu s ARG 98 Ca 0.00 -0.84 0.06 0.00 -0.13 0.00 0.00 55.73 54.82 2otu s ARG 98 Cb 0.02 -0.68 0.07 0.00 -1.56 0.00 0.00 34.95 32.81 2otu s ARG 98 CO -0.08 0.15 0.60 0.41 -0.81 0.00 0.00 175.30 175.57 2otu n GLY 99 N 1.49 1.74 3.49 8.12 0.00 -0.85 -0.95 105.19 118.22 2otu n GLY 99 Ca -0.21 -2.17 -0.07 0.00 0.00 0.00 0.00 46.02 43.57 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 -3.95 0.55 7.90 1.61 3.52 -0.38 -4.73 118.95 123.48 2otu s ARG 100 Ca 0.44 1.10 0.00 0.00 -0.13 0.00 0.00 55.73 57.14 2otu s ARG 100 Cb -0.03 0.21 0.00 0.00 -1.56 0.00 0.00 34.95 33.56 2otu s ARG 100 CO 0.28 -0.17 0.00 0.41 -0.81 0.00 0.00 175.30 175.01 2otu n GLY 101 N 4.56 3.44 0.67 8.12 0.00 -1.26 -1.52 105.19 119.19 2otu n GLY 101 Ca -0.19 -0.11 0.08 0.00 0.00 0.00 0.00 46.02 45.81 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 13.25 0.01 -2.79 1.61 4.02 -1.26 -4.95 117.16 127.06 2otu n TYR 102 Ca 0.00 -0.01 -0.42 0.00 -0.01 0.00 0.00 57.90 57.46 2otu n TYR 102 Cb 0.00 -0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.29 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 -1.38 4.84 0.04 -0.72 1.01 -0.58 -4.97 120.40 118.64 2otu s VAL 103 Ca 0.20 1.85 -0.22 0.00 0.00 0.00 0.00 61.98 63.81 2otu s VAL 103 Cb 0.14 -4.23 -0.15 0.00 0.00 0.00 0.00 36.38 32.14 2otu s VAL 103 CO 0.21 0.03 1.41 -0.50 0.00 0.00 0.00 175.10 176.25 2otu h TRP 104 N 7.15 0.25 -2.70 5.22 4.06 -1.91 -1.00 115.95 127.02 2otu h TRP 104 Ca -0.31 -0.05 -0.67 0.00 2.06 0.00 0.00 58.89 59.92 2otu h TRP 104 Cb 1.15 -0.06 -0.38 0.00 -1.00 0.00 0.00 29.16 28.87 2otu h TRP 104 CO 0.71 0.53 -0.20 1.19 -3.56 0.00 0.00 178.44 177.12 2otu n PHE 105 N -4.74 3.46 0.02 0.49 0.99 -1.26 -2.01 117.46 114.40 2otu n PHE 105 Ca -0.06 -3.85 -0.08 0.00 -0.00 0.00 0.00 57.45 53.46 2otu n PHE 105 Cb 0.25 -0.84 -0.13 0.00 -1.00 0.00 0.00 39.48 37.76 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 4.98 0.55 -3.80 4.37 0.00 -1.24 -3.46 119.26 120.67 2otu h ALA 106 Ca 0.19 -1.19 -0.51 0.00 0.00 0.00 0.00 54.91 53.40 2otu h ALA 106 Cb 0.69 0.17 -0.31 0.00 0.00 0.00 0.00 17.79 18.34 2otu h ALA 106 CO 0.93 1.41 -0.82 0.71 0.00 0.00 0.00 179.25 181.48 2otu s TYR 107 N -2.65 1.44 0.10 0.00 2.02 -0.41 -5.00 117.35 112.85 2otu s TYR 107 Ca -0.02 -0.42 0.09 0.00 -0.37 0.00 0.00 57.07 56.35 2otu s TYR 107 Cb 0.09 -0.99 -0.04 0.00 -0.40 0.00 0.00 41.96 40.62 2otu s TYR 107 CO 0.82 -0.16 -0.22 -1.58 -1.57 0.00 0.00 175.55 172.84 2otu s TRP 108 N 0.19 1.86 0.07 2.71 0.52 -1.26 -1.48 118.94 121.55 2otu s TRP 108 Ca -0.05 -0.41 -0.01 0.00 0.02 0.00 0.00 56.10 55.64 2otu s TRP 108 Cb -0.11 -1.02 0.02 0.00 -1.15 0.00 0.00 33.47 31.20 2otu s TRP 108 CO 0.02 0.22 0.10 0.41 0.02 0.00 0.00 176.95 177.72 2otu n GLY 109 N 1.09 -0.92 0.16 0.98 0.00 -0.69 -4.70 105.19 101.11 2otu n GLY 109 Ca -0.19 -1.71 0.11 0.00 0.00 0.00 0.00 46.02 44.23 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 -3.47 115.11 112.42 2otu h GLN 110 Ca -0.03 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.17 2otu h GLN 110 Cb 0.09 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.52 2otu h GLN 110 CO 0.02 0.02 0.00 0.41 -0.95 0.00 0.00 178.83 178.33 2otu n GLY 111 N 1.15 0.07 2.90 3.46 0.00 -1.26 -5.04 105.19 106.46 2otu n GLY 111 Ca 0.01 -1.56 -0.18 0.00 0.00 0.00 0.00 46.02 44.29 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 -2.86 0.44 -0.08 2.61 -1.32 -0.55 -4.79 115.64 109.10 2otu s THR 112 Ca 0.00 -0.11 -0.21 0.00 -1.21 0.00 0.00 61.69 60.16 2otu s THR 112 Cb 0.00 -0.46 -0.04 0.00 -1.51 0.00 0.00 72.50 70.49 2otu s THR 112 CO 0.00 0.19 0.61 -0.89 -2.21 0.00 0.00 174.62 172.31 2otu s THR 113 N 0.69 5.09 -0.21 5.08 2.01 -1.26 -0.51 115.64 126.52 2otu s THR 113 Ca -0.08 1.24 -0.03 0.00 0.31 0.00 0.00 61.69 63.13 2otu s THR 113 Cb -0.12 -3.95 -0.01 0.00 0.01 0.00 0.00 72.50 68.44 2otu s THR 113 CO -0.00 0.29 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.48 2otu s VAL 114 N 0.65 3.31 -0.23 3.82 1.01 -0.27 -1.31 120.40 127.38 2otu s VAL 114 Ca 0.33 -0.52 -0.01 0.00 0.00 0.00 0.00 61.98 61.78 2otu s VAL 114 Cb -0.17 -2.50 0.02 0.00 0.00 0.00 0.00 36.38 33.74 2otu s VAL 114 CO 0.15 0.43 -0.08 -0.89 0.00 0.00 0.00 175.10 174.71 2otu s THR 115 N 1.41 2.82 -0.24 3.92 2.01 -0.36 -1.49 115.64 123.71 2otu s THR 115 Ca 0.05 -0.94 -0.12 0.00 0.31 0.00 0.00 61.69 61.00 2otu s THR 115 Cb -0.14 -2.38 -0.05 0.00 0.01 0.00 0.00 72.50 69.94 2otu s THR 115 CO -0.03 0.28 0.23 -0.69 -0.69 0.00 0.00 174.62 173.72 2otu s VAL 116 N 1.34 5.31 0.00 3.82 1.01 -1.26 -0.44 120.40 130.18 2otu s VAL 116 Ca 0.02 0.31 0.00 0.00 0.00 0.00 0.00 61.98 62.30 2otu s VAL 116 Cb -0.16 -3.56 0.00 0.00 0.00 0.00 0.00 36.38 32.66 2otu s VAL 116 CO -0.06 0.30 0.00 -1.54 0.00 0.00 0.00 175.10 173.80 2otu n SER 117 N 4.54 0.00 0.00 3.32 3.41 0.42 -4.82 113.62 120.48 2otu n SER 117 Ca -0.13 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.48 2otu n SER 117 Cb 0.52 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 2otu n SER 117 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64