#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 3.77 -0.04 1.69 1.01 -1.26 -4.14 120.40 121.43 2otu s VAL 2 Ca 0.00 1.35 0.02 0.00 0.00 0.00 0.00 61.98 63.35 2otu s VAL 2 Cb 0.00 -3.87 0.01 0.00 0.00 0.00 0.00 36.38 32.53 2otu s VAL 2 CO 0.00 0.15 -0.06 -1.10 0.00 0.00 0.00 175.10 174.09 2otu s GLN 3 N 0.52 0.90 -0.08 2.72 -0.21 -0.37 -4.99 119.66 118.14 2otu s GLN 3 Ca 0.57 -0.19 0.01 0.00 0.02 0.00 0.00 55.36 55.78 2otu s GLN 3 Cb -0.31 -0.86 0.02 0.00 1.00 0.00 0.00 33.01 32.86 2otu s GLN 3 CO 0.32 -0.01 -0.11 -0.51 -2.12 0.00 0.00 175.29 172.86 2otu s LEU 4 N 0.62 1.54 -0.21 2.90 1.43 -1.26 -1.66 118.68 122.04 2otu s LEU 4 Ca -0.09 -0.32 -0.02 0.00 -1.03 0.00 0.00 54.13 52.67 2otu s LEU 4 Cb -0.12 -0.87 0.06 0.00 0.03 0.00 0.00 46.19 45.30 2otu s LEU 4 CO 0.01 -0.01 0.02 -1.58 0.23 0.00 0.00 176.35 175.02 2otu s GLN 5 N 0.97 0.88 0.52 1.70 2.00 -0.61 -3.65 119.66 121.46 2otu s GLN 5 Ca -0.08 -0.60 -0.10 0.00 -2.00 0.00 0.00 55.36 52.58 2otu s GLN 5 Cb -0.15 -2.22 -0.05 0.00 0.80 0.00 0.00 33.01 31.40 2otu s GLN 5 CO -0.00 -0.66 0.89 -1.21 -0.50 0.00 0.00 175.29 173.82 2otu s GLU 6 N 1.73 3.67 0.21 1.67 8.01 -1.26 -1.36 118.70 131.37 2otu s GLU 6 Ca -0.01 0.55 -0.22 0.00 0.01 0.00 0.00 54.97 55.29 2otu s GLU 6 Cb -0.18 -2.24 0.05 0.00 -4.31 0.00 0.00 34.13 27.45 2otu s GLU 6 CO -0.09 -0.30 0.67 -1.54 0.01 0.00 0.00 175.26 174.01 2otu s SER 7 N -3.79 -0.41 0.00 -0.19 1.04 -0.39 -4.78 113.70 105.18 2otu s SER 7 Ca 0.52 -0.30 0.00 0.00 0.48 0.00 0.00 55.95 56.66 2otu s SER 7 Cb -0.10 0.66 0.00 0.00 0.10 0.00 0.00 66.02 66.67 2otu s SER 7 CO 0.43 -1.14 0.00 0.61 0.98 0.00 0.00 173.24 174.12 2otu n GLY 8 N -0.42 1.09 3.67 7.32 0.00 -1.26 -1.38 105.19 114.21 2otu n GLY 8 Ca -0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.06 1.62 0.00 -0.02 0.00 -1.26 -4.79 107.32 100.81 2otu s GLY 9 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 44.72 44.79 2otu s GLY 9 CO 0.00 0.58 0.00 0.61 0.00 0.00 0.00 173.10 174.29 2otu n GLY 10 N -0.49 -1.50 3.70 0.20 0.00 -0.44 -4.93 105.19 101.73 2otu n GLY 10 Ca 0.07 -1.13 -0.39 0.00 0.00 0.00 0.00 46.02 44.57 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 4.24 0.19 0.99 1.43 -1.26 -1.45 118.68 122.81 2otu s LEU 11 Ca 0.00 0.94 0.00 0.00 -1.03 0.00 0.00 54.13 54.04 2otu s LEU 11 Cb 0.00 -2.89 -0.04 0.00 0.03 0.00 0.00 46.19 43.29 2otu s LEU 11 CO 0.00 -0.14 0.07 0.68 0.23 0.00 0.00 176.35 177.19 2otu s VAL 12 N 1.17 0.31 0.17 -1.59 -7.23 0.12 -4.98 120.40 108.38 2otu s VAL 12 Ca 0.31 -1.97 0.04 0.00 -1.81 0.00 0.00 61.98 58.55 2otu s VAL 12 Cb -0.16 -2.31 -0.04 0.00 0.56 0.00 0.00 36.38 34.43 2otu s VAL 12 CO 0.13 -0.25 0.19 -1.10 -0.31 0.00 0.00 175.10 173.76 2otu s GLN 13 N -4.04 3.08 0.36 4.82 -0.21 -1.26 -0.60 119.66 121.81 2otu s GLN 13 Ca 0.31 -0.79 -0.28 0.00 0.02 0.00 0.00 55.36 54.61 2otu s GLN 13 Cb 0.07 -2.75 -0.11 0.00 1.00 0.00 0.00 33.01 31.23 2otu s GLN 13 CO 0.07 0.49 1.41 -2.14 -2.12 0.00 0.00 175.29 173.01 2otu s PRO 14 N -3.20 4.20 0.00 2.91 0.02 -1.26 -1.24 135.00 136.42 2otu s PRO 14 Ca 0.32 2.42 0.00 0.00 0.02 0.00 0.00 61.00 63.77 2otu s PRO 14 Cb -0.10 -3.00 0.00 0.00 0.02 0.00 0.00 34.50 31.41 2otu s PRO 14 CO 0.25 -0.40 0.00 0.41 -0.33 0.00 0.00 177.00 176.93 2otu n GLY 15 N 0.60 1.76 0.00 0.52 0.00 0.15 -4.88 105.19 103.34 2otu n GLY 15 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.22 3.37 -0.02 0.00 -0.38 -4.21 105.19 101.73 2otu n GLY 16 Ca 0.00 -1.78 -0.10 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 -0.16 0.10 1.61 1.04 -1.26 -1.53 113.70 112.49 2otu s SER 17 Ca 0.00 -0.48 -0.26 0.00 0.48 0.00 0.00 55.95 55.69 2otu s SER 17 Cb 0.00 0.48 0.08 0.00 0.10 0.00 0.00 66.02 66.68 2otu s SER 17 CO 0.00 -0.90 0.84 -1.48 0.98 0.00 0.00 173.24 172.68 2otu s LEU 18 N -2.85 -0.34 -0.09 2.42 2.34 -0.57 -5.02 118.68 114.58 2otu s LEU 18 Ca 0.07 -0.17 0.02 0.00 0.06 0.00 0.00 54.13 54.11 2otu s LEU 18 Cb 0.02 2.23 0.01 0.00 -0.56 0.00 0.00 46.19 47.89 2otu s LEU 18 CO -0.08 -0.83 -0.13 -0.75 -1.06 0.00 0.00 176.35 173.50 2otu s LYS 19 N -3.35 1.93 0.20 1.48 2.20 -1.26 -0.44 119.74 120.50 2otu s LYS 19 Ca 0.07 -0.47 -0.00 0.00 -0.36 0.00 0.00 55.97 55.21 2otu s LYS 19 Cb -0.02 -1.65 -0.04 0.00 -1.51 0.00 0.00 37.83 34.61 2otu s LYS 19 CO -0.05 -0.04 0.39 -0.51 -0.36 0.00 0.00 175.35 174.78 2otu s LEU 20 N 0.91 4.23 0.12 5.43 1.43 0.15 -4.72 118.68 126.23 2otu s LEU 20 Ca -0.09 0.38 0.06 0.00 -1.03 0.00 0.00 54.13 53.45 2otu s LEU 20 Cb -0.15 -3.15 -0.04 0.00 0.03 0.00 0.00 46.19 42.88 2otu s LEU 20 CO 0.00 -0.04 -0.14 -0.44 0.23 0.00 0.00 176.35 175.96 2otu s SER 21 N -3.20 1.98 -0.08 2.29 0.01 -0.48 -1.54 113.70 112.68 2otu s SER 21 Ca 0.38 -0.81 -0.02 0.00 1.31 0.00 0.00 55.95 56.82 2otu s SER 21 Cb -0.11 -0.07 0.03 0.00 0.21 0.00 0.00 66.02 66.09 2otu s SER 21 CO 0.29 -0.15 0.01 0.00 0.41 0.00 0.00 173.24 173.81 2otu s ALA 23 N 1.98 3.57 0.05 0.00 0.00 -0.47 -1.07 121.76 125.82 2otu s ALA 23 Ca 0.04 -0.77 0.02 0.00 0.00 0.00 0.00 51.96 51.26 2otu s ALA 23 Cb -0.13 -2.70 -0.04 0.00 0.00 0.00 0.00 23.12 20.25 2otu s ALA 23 CO -0.05 -0.60 0.05 0.00 0.00 0.00 0.00 175.76 175.16 2otu s ALA 24 N 1.96 3.48 0.21 0.00 0.00 -0.52 -1.58 121.76 125.31 2otu s ALA 24 Ca 0.16 -0.99 -0.20 0.00 0.00 0.00 0.00 51.96 50.92 2otu s ALA 24 Cb -0.16 -1.41 0.04 0.00 0.00 0.00 0.00 23.12 21.59 2otu s ALA 24 CO 0.09 0.71 0.61 -1.54 0.00 0.00 0.00 175.76 175.64 2otu s SER 25 N -2.11 -0.36 0.00 0.00 1.04 -0.66 -4.87 113.70 106.74 2otu s SER 25 Ca 0.26 -0.37 0.00 0.00 0.48 0.00 0.00 55.95 56.32 2otu s SER 25 Cb -0.12 0.63 0.00 0.00 0.10 0.00 0.00 66.02 66.63 2otu s SER 25 CO 0.18 -1.12 0.00 0.61 0.98 0.00 0.00 173.24 173.89 2otu n GLY 26 N -0.39 0.70 3.60 7.32 0.00 -1.26 -1.24 105.19 113.92 2otu n GLY 26 Ca -0.10 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.20 -0.24 -0.85 1.61 -0.12 -1.26 -4.34 117.98 110.57 2otu s PHE 27 Ca 0.00 0.06 -0.25 0.00 -0.05 0.00 0.00 56.93 56.68 2otu s PHE 27 Cb 0.00 0.57 0.03 0.00 -0.63 0.00 0.00 43.02 42.99 2otu s PHE 27 CO 0.00 -0.61 1.45 0.99 -0.05 0.00 0.00 175.22 177.01 2otu s THR 28 N -3.10 3.75 0.21 -4.49 2.01 -1.26 -4.88 115.64 107.88 2otu s THR 28 Ca 0.08 -0.14 -0.13 0.00 0.31 0.00 0.00 61.69 61.81 2otu s THR 28 Cb -0.01 -4.82 0.22 0.00 0.01 0.00 0.00 72.50 67.91 2otu s THR 28 CO -0.05 -1.73 1.63 0.15 -0.69 0.00 0.00 174.62 173.93 2otu h PHE 29 N 10.47 -0.29 0.00 4.92 3.57 -1.95 -1.67 116.94 131.99 2otu h PHE 29 Ca -0.06 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.50 2otu h PHE 29 Cb 1.04 0.23 0.00 0.00 2.79 0.00 0.00 35.95 40.01 2otu h PHE 29 CO 1.19 -0.25 0.00 2.89 -2.23 0.00 0.00 178.31 179.90 2otu n ARG 30 N -5.41 0.11 0.00 1.11 1.85 -1.26 -2.06 116.66 111.00 2otu n ARG 30 Ca 0.07 0.49 0.14 0.00 -1.00 0.00 0.00 57.85 57.55 2otu n ARG 30 Cb 0.32 -1.78 0.54 0.00 -1.05 0.00 0.00 32.46 30.49 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 -1.99 1.01 -4.29 2.89 8.00 -0.63 -4.70 116.55 116.84 2otu n ASP 31 Ca 0.01 -1.08 -0.26 0.00 0.71 0.00 0.00 54.79 54.17 2otu n ASP 31 Cb 0.10 0.03 -0.13 0.00 -0.02 0.00 0.00 41.12 41.10 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 -2.25 1.90 0.54 1.24 1.51 -0.88 -4.97 117.35 114.44 2otu s TYR 32 Ca 0.33 -0.39 -0.19 0.00 -1.01 0.00 0.00 57.07 55.80 2otu s TYR 32 Cb 0.20 -1.08 -0.06 0.00 -0.11 0.00 0.00 41.96 40.91 2otu s TYR 32 CO 0.42 0.17 1.09 0.71 -1.11 0.00 0.00 175.55 176.83 2otu s TYR 33 N -0.97 2.80 0.15 2.71 2.02 -1.26 -4.31 117.35 118.50 2otu s TYR 33 Ca 0.08 1.55 0.06 0.00 -0.37 0.00 0.00 57.07 58.39 2otu s TYR 33 Cb -0.09 -3.17 -0.04 0.00 -0.40 0.00 0.00 41.96 38.25 2otu s TYR 33 CO 0.03 -1.30 -0.13 -1.64 -1.57 0.00 0.00 175.55 170.94 2otu s MET 34 N -3.44 1.13 0.12 -0.62 -1.94 -0.76 -4.40 119.30 109.38 2otu s MET 34 Ca 0.69 -1.39 -0.03 0.00 -1.71 0.00 0.00 55.69 53.25 2otu s MET 34 Cb -0.20 -0.91 -0.03 0.00 2.01 0.00 0.00 34.83 35.69 2otu s MET 34 CO 0.27 0.16 0.09 0.71 -0.01 0.00 0.00 175.02 176.24 2otu s TYR 35 N -2.64 0.70 -0.02 -0.03 2.02 -0.69 -1.71 117.35 114.97 2otu s TYR 35 Ca 0.15 -1.09 0.04 0.00 -0.37 0.00 0.00 57.07 55.80 2otu s TYR 35 Cb -0.02 -0.37 -0.01 0.00 -0.40 0.00 0.00 41.96 41.16 2otu s TYR 35 CO 0.04 -0.54 -0.15 -1.58 -1.57 0.00 0.00 175.55 171.75 2otu s TRP 36 N -4.01 1.40 0.02 2.71 0.52 -0.80 -1.28 118.94 117.51 2otu s TRP 36 Ca 0.20 -0.32 0.01 0.00 0.02 0.00 0.00 56.10 56.01 2otu s TRP 36 Cb 0.07 -0.93 -0.02 0.00 -1.15 0.00 0.00 33.47 31.44 2otu s TRP 36 CO -0.01 -0.07 -0.05 0.08 0.02 0.00 0.00 176.95 176.92 2otu s VAL 37 N -0.17 0.34 0.15 4.03 1.01 0.52 -1.06 120.40 125.22 2otu s VAL 37 Ca 0.02 -0.79 0.06 0.00 0.00 0.00 0.00 61.98 61.27 2otu s VAL 37 Cb -0.08 -0.41 -0.04 0.00 0.00 0.00 0.00 36.38 35.85 2otu s VAL 37 CO 0.00 -0.30 -0.14 0.00 0.00 0.00 0.00 175.10 174.66 2otu s ARG 38 N -1.16 1.12 -0.14 2.72 1.70 -0.15 0.45 118.95 123.49 2otu s ARG 38 Ca -0.09 -1.37 0.00 0.00 -0.47 0.00 0.00 55.73 53.81 2otu s ARG 38 Cb -0.08 -0.96 0.02 0.00 -0.57 0.00 0.00 34.95 33.37 2otu s ARG 38 CO -0.00 0.17 -0.13 -1.14 -1.08 0.00 0.00 175.30 173.12 2otu s GLN 39 N -3.06 2.14 0.82 3.89 0.74 0.24 -0.93 119.66 123.51 2otu s GLN 39 Ca 0.14 -0.50 -0.12 0.00 0.05 0.00 0.00 55.36 54.93 2otu s GLN 39 Cb -0.03 -1.99 0.08 0.00 1.10 0.00 0.00 33.01 32.18 2otu s GLN 39 CO 0.04 -0.23 1.11 0.95 -0.55 0.00 0.00 175.29 176.61 2otu s THR 40 N 1.50 2.80 0.60 -0.34 -4.23 -0.55 -0.88 115.64 114.55 2otu s THR 40 Ca 0.04 0.26 0.33 0.00 -1.18 0.00 0.00 61.69 61.14 2otu s THR 40 Cb -0.13 -3.02 0.37 0.00 1.34 0.00 0.00 72.50 71.06 2otu s THR 40 CO -0.10 -0.34 2.28 -0.65 -0.54 0.00 0.00 174.62 175.27 2otu h PRO 41 N -1.17 0.00 -0.03 3.99 0.11 -1.91 0.29 132.00 133.28 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 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 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 -3.70 1.09 -1.03 1.05 4.71 -1.26 -4.89 120.64 116.61 2otu n GLU 42 Ca -0.03 -0.14 -0.01 0.00 -0.01 0.00 0.00 57.16 56.97 2otu n GLU 42 Cb 0.08 -1.21 -0.00 0.00 -1.01 0.00 0.00 31.44 29.30 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 -0.55 -0.63 -3.11 3.49 5.02 0.10 -5.02 118.16 117.45 2otu n LYS 43 Ca 0.10 0.26 -0.39 0.00 -2.02 0.00 0.00 58.31 56.26 2otu n LYS 43 Cb 0.07 -3.81 -0.06 0.00 -0.02 0.00 0.00 35.03 31.22 2otu n LYS 43 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2otu s ARG 44 N -0.98 4.38 0.04 1.97 0.52 -1.25 -4.79 118.95 118.84 2otu s ARG 44 Ca 0.00 0.95 -0.10 0.00 -0.52 0.00 0.00 55.73 56.06 2otu s ARG 44 Cb 0.00 -3.20 -0.05 0.00 0.52 0.00 0.00 34.95 32.21 2otu s ARG 44 CO 0.00 0.58 0.37 -0.51 0.02 0.00 0.00 175.30 175.75 2otu s LEU 45 N -1.24 4.38 -0.08 2.53 1.43 -1.26 -1.48 118.68 122.95 2otu s LEU 45 Ca 0.34 0.77 -0.03 0.00 -1.03 0.00 0.00 54.13 54.17 2otu s LEU 45 Cb -0.21 -2.81 0.05 0.00 0.03 0.00 0.00 46.19 43.25 2otu s LEU 45 CO 0.23 0.23 0.17 -1.61 0.23 0.00 0.00 176.35 175.60 2otu s GLU 46 N -1.68 0.09 0.27 1.70 2.02 -0.10 -5.00 118.70 115.99 2otu s GLU 46 Ca 0.29 0.50 -0.29 0.00 0.02 0.00 0.00 54.97 55.49 2otu s GLU 46 Cb -0.14 -0.20 -0.10 0.00 0.10 0.00 0.00 34.13 33.80 2otu s GLU 46 CO 0.16 -0.23 1.28 -0.46 0.02 0.00 0.00 175.26 176.03 2otu s TRP 47 N 1.73 3.21 -0.10 1.61 -0.00 -1.26 -0.98 118.94 123.15 2otu s TRP 47 Ca -0.03 1.36 0.02 0.00 -0.00 0.00 0.00 56.10 57.44 2otu s TRP 47 Cb -0.12 -3.60 -0.07 0.00 -0.00 0.00 0.00 33.47 29.68 2otu s TRP 47 CO -0.06 -1.72 -0.07 0.28 -0.00 0.00 0.00 176.95 175.38 2otu n VAL 48 N 1.66 0.57 -3.49 5.86 0.31 -0.22 -4.67 118.33 118.35 2otu n VAL 48 Ca 0.03 -0.24 -0.12 0.00 -0.01 0.00 0.00 64.34 64.00 2otu n VAL 48 Cb 0.42 -0.84 -0.03 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 -2.20 -1.75 0.01 3.52 0.00 -0.99 -4.17 121.76 116.18 2otu s ALA 49 Ca -0.12 0.99 0.02 0.00 0.00 0.00 0.00 51.96 52.85 2otu s ALA 49 Cb 0.03 0.32 -0.01 0.00 0.00 0.00 0.00 23.12 23.46 2otu s ALA 49 CO 0.25 -0.59 -0.07 0.12 0.00 0.00 0.00 175.76 175.46 2otu s PHE 50 N -2.61 0.62 -0.06 0.00 5.36 -0.65 -1.91 117.98 118.73 2otu s PHE 50 Ca -0.01 -0.23 -0.03 0.00 -0.96 0.00 0.00 56.93 55.70 2otu s PHE 50 Cb -0.01 -0.38 0.03 0.00 -0.34 0.00 0.00 43.02 42.32 2otu s PHE 50 CO -0.05 -0.03 0.12 -1.50 -1.46 0.00 0.00 175.22 172.31 2otu s ILE 51 N -0.54 -0.04 1.09 3.12 2.07 -0.70 -2.26 121.20 123.94 2otu s ILE 51 Ca -0.01 0.15 -0.16 0.00 -1.41 0.00 0.00 60.65 59.21 2otu s ILE 51 Cb -0.05 -0.21 0.23 0.00 0.13 0.00 0.00 42.46 42.57 2otu s ILE 51 CO 0.00 0.06 1.12 -0.94 -1.91 0.00 0.00 174.94 173.27 2otu s SER 52 N 0.92 1.92 0.17 4.50 1.04 -0.27 -1.83 113.70 120.15 2otu s SER 52 Ca -0.07 0.81 -0.23 0.00 0.48 0.00 0.00 55.95 56.94 2otu s SER 52 Cb -0.09 -1.21 0.08 0.00 0.10 0.00 0.00 66.02 64.89 2otu s SER 52 CO -0.04 -3.53 1.59 0.78 0.98 0.00 0.00 173.24 173.02 2otu h ASN 53 N -2.17 -1.17 0.04 7.02 4.21 -1.85 -2.58 115.58 119.08 2otu h ASN 53 Ca -0.49 0.21 0.00 0.00 1.21 0.00 0.00 56.30 57.23 2otu h ASN 53 Cb 1.31 0.56 0.00 0.00 -1.12 0.00 0.00 38.32 39.06 2otu h ASN 53 CO 0.45 -0.32 -0.21 0.61 -1.29 0.00 0.00 177.43 176.68 2otu n GLY 54 N -1.42 0.14 0.46 2.83 0.00 -1.26 -4.88 105.19 101.06 2otu n GLY 54 Ca 0.02 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.48 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 1.34 0.51 0.30 -0.02 0.00 -0.97 -4.96 105.19 101.38 2otu n GLY 55 Ca 0.13 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.33 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 -5.70 -0.02 0.00 -1.93 -3.42 103.07 92.01 2otu h GLY 56 Ca 0.00 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 46.79 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 -5.69 1.96 -0.00 0.19 0.01 -1.26 -5.02 113.70 103.89 2otu s SER 57 Ca -0.03 -0.33 0.00 0.00 1.31 0.00 0.00 55.95 56.90 2otu s SER 57 Cb 0.12 -0.84 -0.00 0.00 0.21 0.00 0.00 66.02 65.51 2otu s SER 57 CO 0.51 0.07 -0.01 0.42 0.41 0.00 0.00 173.24 174.64 2otu s THR 58 N 0.51 0.07 0.03 1.44 -4.23 -1.26 -1.11 115.64 111.10 2otu s THR 58 Ca -0.13 -0.04 0.01 0.00 -1.18 0.00 0.00 61.69 60.36 2otu s THR 58 Cb -0.15 -0.07 -0.02 0.00 1.34 0.00 0.00 72.50 73.60 2otu s THR 58 CO 0.04 0.02 -0.06 -0.31 -0.54 0.00 0.00 174.62 173.77 2otu s TYR 59 N -0.02 0.49 0.03 3.99 2.02 -0.96 -4.98 117.35 117.93 2otu s TYR 59 Ca 0.00 -0.48 -0.08 0.00 -0.37 0.00 0.00 57.07 56.14 2otu s TYR 59 Cb -0.00 -0.31 -0.00 0.00 -0.40 0.00 0.00 41.96 41.25 2otu s TYR 59 CO -0.00 -0.12 0.15 0.71 -1.57 0.00 0.00 175.55 174.72 2otu s TYR 60 N -1.32 0.10 0.65 2.71 2.02 -1.26 -1.64 117.35 118.60 2otu s TYR 60 Ca -0.11 -0.31 -0.11 0.00 -0.37 0.00 0.00 57.07 56.17 2otu s TYR 60 Cb -0.09 -0.07 -0.02 0.00 -0.40 0.00 0.00 41.96 41.37 2otu s TYR 60 CO -0.00 -0.38 1.04 -1.25 -1.57 0.00 0.00 175.55 173.39 2otu s PRO 61 N -2.29 3.38 0.58 -1.71 0.04 -1.26 -4.77 135.00 128.96 2otu s PRO 61 Ca -0.07 0.81 0.27 0.00 0.04 0.00 0.00 61.00 62.05 2otu s PRO 61 Cb -0.03 -2.05 1.62 0.00 0.04 0.00 0.00 34.50 34.08 2otu s PRO 61 CO -0.03 -0.75 2.12 -0.44 0.04 0.00 0.00 177.00 177.94 2otu h ASP 62 N -0.45 0.00 0.20 6.66 3.32 -1.97 -1.67 116.42 122.50 2otu h ASP 62 Ca -0.44 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.58 2otu h ASP 62 Cb 1.20 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.74 2otu h ASP 62 CO 0.60 0.00 -0.15 0.71 -1.72 0.00 0.00 179.24 178.68 2otu h THR 63 N 0.00 0.97 0.00 0.35 1.35 -1.98 -3.27 112.91 110.33 2otu h THR 63 Ca 0.08 -0.53 0.00 0.00 -0.55 0.00 0.00 66.41 65.41 2otu h THR 63 Cb 0.42 1.30 0.00 0.00 -1.73 0.00 0.00 68.15 68.14 2otu h THR 63 CO -0.00 0.15 0.00 1.33 -0.25 0.00 0.00 175.52 176.74 2otu n VAL 64 N -4.16 0.00 -1.68 6.82 0.24 -0.86 -5.00 118.33 113.68 2otu n VAL 64 Ca -0.02 -0.44 -0.45 0.00 -2.04 0.00 0.00 64.34 61.39 2otu n VAL 64 Cb 0.22 1.04 -0.03 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 -0.61 2.22 0.00 7.34 3.00 -0.68 -1.13 118.16 128.30 2otu n LYS 65 Ca 0.00 0.80 0.00 0.00 -0.00 0.00 0.00 58.31 59.11 2otu n LYS 65 Cb 0.01 -2.53 0.00 0.00 0.00 0.00 0.00 35.03 32.51 2otu n LYS 65 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2otu n GLY 66 N 2.74 1.76 0.01 3.14 0.00 -1.26 -4.78 105.19 106.81 2otu n GLY 66 Ca 0.13 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.14 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 1.04 -4.06 1.61 1.74 -0.29 -5.03 116.66 109.67 2otu n ARG 67 Ca 0.00 0.01 -0.32 0.00 -0.77 0.00 0.00 57.85 56.77 2otu n ARG 67 Cb 0.00 -1.05 -0.06 0.00 -1.02 0.00 0.00 32.46 30.32 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 3.30 -0.06 -1.55 0.40 -0.55 -1.44 117.98 116.03 2otu s PHE 68 Ca -0.03 0.19 -0.00 0.00 -0.60 0.00 0.00 56.93 56.49 2otu s PHE 68 Cb 0.01 -1.72 0.02 0.00 0.51 0.00 0.00 43.02 41.84 2otu s PHE 68 CO 0.07 0.55 -0.02 0.99 0.70 0.00 0.00 175.22 177.51 2otu s THR 69 N -1.28 0.46 -0.11 0.64 2.01 -0.03 -4.85 115.64 112.48 2otu s THR 69 Ca 0.26 -0.01 -0.09 0.00 0.31 0.00 0.00 61.69 62.16 2otu s THR 69 Cb -0.12 -0.54 -0.04 0.00 0.01 0.00 0.00 72.50 71.80 2otu s THR 69 CO 0.17 0.24 0.18 -0.51 -0.69 0.00 0.00 174.62 174.01 2otu s ILE 70 N 1.37 5.43 0.23 1.82 2.07 -1.26 -0.46 121.20 130.41 2otu s ILE 70 Ca -0.04 0.31 -0.09 0.00 -1.41 0.00 0.00 60.65 59.42 2otu s ILE 70 Cb -0.13 -3.46 -0.02 0.00 0.13 0.00 0.00 42.46 38.98 2otu s ILE 70 CO -0.03 0.59 0.37 -0.94 -1.91 0.00 0.00 174.94 173.02 2otu s SER 71 N -0.87 0.01 0.09 4.50 1.04 -0.85 -5.00 113.70 112.62 2otu s SER 71 Ca 0.16 -1.09 -0.13 0.00 0.48 0.00 0.00 55.95 55.37 2otu s SER 71 Cb -0.13 0.52 0.02 0.00 0.10 0.00 0.00 66.02 66.53 2otu s SER 71 CO 0.05 -1.05 0.29 0.00 0.98 0.00 0.00 173.24 173.51 2otu s ARG 72 N -4.04 0.91 -0.37 4.02 1.70 -1.26 -0.52 118.95 119.39 2otu s ARG 72 Ca 0.28 -0.75 0.01 0.00 -0.47 0.00 0.00 55.73 54.80 2otu s ARG 72 Cb 0.02 0.39 0.12 0.00 -0.57 0.00 0.00 34.95 34.90 2otu s ARG 72 CO 0.10 -0.31 0.15 0.34 -1.08 0.00 0.00 175.30 174.50 2otu s ASP 73 N -2.62 3.93 0.50 -2.89 3.68 -0.13 -5.00 116.67 114.14 2otu s ASP 73 Ca 0.01 -2.12 0.15 0.00 2.13 0.00 0.00 52.55 52.73 2otu s ASP 73 Cb 0.02 -1.01 1.20 0.00 -1.45 0.00 0.00 42.92 41.69 2otu s ASP 73 CO -0.09 -0.35 2.13 0.78 0.13 0.00 0.00 175.17 177.77 2otu h ASN 74 N 7.45 0.06 -0.01 -0.34 -0.26 -1.94 -0.28 115.58 120.26 2otu h ASN 74 Ca -0.07 -0.00 -0.14 0.00 -0.56 0.00 0.00 56.30 55.52 2otu h ASN 74 Cb 0.98 -0.02 -0.01 0.00 -1.06 0.00 0.00 38.32 38.21 2otu h ASN 74 CO 0.48 0.05 -0.47 0.00 -1.06 0.00 0.00 177.43 176.43 2otu h ALA 75 N 1.96 0.79 -0.16 -0.83 0.00 -1.96 -3.04 119.26 116.02 2otu h ALA 75 Ca 0.02 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2otu h ALA 75 Cb 0.01 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.70 2otu h ALA 75 CO -0.00 0.66 0.00 1.63 0.00 0.00 0.00 179.25 181.54 2otu n LYS 76 N -4.00 2.07 -3.94 0.00 5.02 -0.81 -4.96 118.16 111.54 2otu n LYS 76 Ca -0.02 -1.59 -0.27 0.00 -2.02 0.00 0.00 58.31 54.41 2otu n LYS 76 Cb 0.55 -1.46 -0.00 0.00 -0.02 0.00 0.00 35.03 34.10 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 -1.65 -4.10 4.39 5.03 -0.18 -4.85 115.26 114.75 2otu n ASN 77 Ca 0.17 -0.94 -0.21 0.00 0.87 0.00 0.00 54.58 54.47 2otu n ASN 77 Cb 0.47 -3.32 -0.15 0.00 -1.02 0.00 0.00 39.78 35.76 2otu n ASN 77 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 2otu s THR 78 N -3.69 1.06 0.07 3.41 2.01 -0.93 -1.44 115.64 116.13 2otu s THR 78 Ca 0.23 -0.65 0.05 0.00 0.31 0.00 0.00 61.69 61.63 2otu s THR 78 Cb -0.12 -0.90 -0.04 0.00 0.01 0.00 0.00 72.50 71.45 2otu s THR 78 CO 0.87 0.24 -0.06 -0.22 -0.69 0.00 0.00 174.62 174.76 2otu s LEU 79 N -0.47 3.20 0.09 4.42 2.96 -0.24 -0.96 118.68 127.69 2otu s LEU 79 Ca 0.04 -0.25 0.03 0.00 -0.22 0.00 0.00 54.13 53.74 2otu s LEU 79 Cb -0.06 -1.93 -0.04 0.00 0.50 0.00 0.00 46.19 44.67 2otu s LEU 79 CO -0.00 0.21 -0.09 -0.31 -1.32 0.00 0.00 176.35 174.84 2otu s TYR 80 N -1.17 0.96 -0.20 5.38 2.02 0.32 -0.08 117.35 124.59 2otu s TYR 80 Ca 0.21 -0.68 -0.03 0.00 -0.37 0.00 0.00 57.07 56.19 2otu s TYR 80 Cb -0.11 -0.54 0.07 0.00 -0.40 0.00 0.00 41.96 40.98 2otu s TYR 80 CO 0.13 -0.05 0.06 -1.17 -1.57 0.00 0.00 175.55 172.96 2otu s LEU 81 N -2.43 0.95 -0.17 -1.29 2.96 -0.59 -2.00 118.68 116.11 2otu s LEU 81 Ca 0.04 -0.85 -0.21 0.00 -0.22 0.00 0.00 54.13 52.89 2otu s LEU 81 Cb -0.02 -0.49 -0.03 0.00 0.50 0.00 0.00 46.19 46.15 2otu s LEU 81 CO -0.01 -0.34 0.65 -1.58 -1.32 0.00 0.00 176.35 173.75 2otu s GLN 82 N 1.94 4.26 -0.30 1.98 2.00 0.40 -0.67 119.66 129.26 2otu s GLN 82 Ca 0.01 0.68 0.00 0.00 -2.00 0.00 0.00 55.36 54.05 2otu s GLN 82 Cb -0.17 -3.55 0.06 0.00 0.80 0.00 0.00 33.01 30.16 2otu s GLN 82 CO -0.12 -0.18 -0.01 -1.64 -0.50 0.00 0.00 175.29 172.84 2otu s MET 83 N 1.71 2.24 0.35 1.67 -1.94 0.41 -0.85 119.30 122.89 2otu s MET 83 Ca 0.31 -1.40 0.08 0.00 -1.71 0.00 0.00 55.69 52.97 2otu s MET 83 Cb -0.16 -3.14 -0.04 0.00 2.01 0.00 0.00 34.83 33.49 2otu s MET 83 CO 0.11 -0.68 0.12 -1.12 -0.01 0.00 0.00 175.02 173.45 2otu s SER 84 N 1.23 4.56 -1.34 3.03 0.01 -0.52 -1.50 113.70 119.17 2otu s SER 84 Ca -0.03 -0.84 -0.15 0.00 1.31 0.00 0.00 55.95 56.24 2otu s SER 84 Cb -0.20 -0.67 0.01 0.00 0.21 0.00 0.00 66.02 65.38 2otu s SER 84 CO -0.03 -0.31 0.45 0.54 0.41 0.00 0.00 173.24 174.30 2otu n ARG 85 N -1.12 -1.32 -1.65 12.44 1.74 -0.96 -4.68 116.66 121.11 2otu n ARG 85 Ca -0.03 0.22 -0.39 0.00 -0.77 0.00 0.00 57.85 56.88 2otu n ARG 85 Cb 0.62 -3.56 0.03 0.00 -1.02 0.00 0.00 32.46 28.53 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 -4.63 3.71 -4.35 0.55 4.77 -0.59 -4.55 117.00 111.92 2otu n LEU 86 Ca -0.22 0.95 -0.24 0.00 -0.03 0.00 0.00 56.01 56.47 2otu n LEU 86 Cb 0.63 -1.43 -0.12 0.00 -2.33 0.00 0.00 43.42 40.18 2otu n LEU 86 CO 0.76 -1.36 -0.51 -0.54 -1.33 0.00 0.00 177.39 174.42 2otu s LYS 87 N -2.47 1.31 0.45 3.23 1.02 -1.26 0.30 119.74 122.32 2otu s LYS 87 Ca 0.69 -1.37 0.16 0.00 0.02 0.00 0.00 55.97 55.47 2otu s LYS 87 Cb -0.47 -1.53 1.10 0.00 -0.52 0.00 0.00 37.83 36.41 2otu s LYS 87 CO 0.52 0.33 1.97 0.77 -0.92 0.00 0.00 175.35 178.03 2otu h SER 88 N 3.50 0.31 0.36 2.83 0.02 -1.85 0.74 113.55 119.46 2otu h SER 88 Ca -0.45 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.51 2otu h SER 88 Cb 1.20 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.68 2otu h SER 88 CO 0.46 0.18 0.00 -0.62 -1.14 0.00 0.00 176.83 175.71 2otu n GLU 89 N -4.46 0.04 0.00 3.45 4.71 -1.26 -1.84 120.64 121.28 2otu n GLU 89 Ca 0.11 0.37 0.15 0.00 -0.01 0.00 0.00 57.16 57.77 2otu n GLU 89 Cb 0.44 -1.59 0.73 0.00 -1.01 0.00 0.00 31.44 30.02 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 -1.66 0.16 -4.67 1.62 8.00 0.25 -4.81 116.55 115.45 2otu n ASP 90 Ca 0.02 -0.39 -0.42 0.00 0.71 0.00 0.00 54.79 54.71 2otu n ASP 90 Cb 0.12 -0.18 -0.03 0.00 -0.02 0.00 0.00 41.12 41.01 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 -2.47 3.20 -0.09 -3.53 2.01 -0.77 -4.84 115.64 109.15 2otu s THR 91 Ca 0.31 0.33 -0.32 0.00 0.31 0.00 0.00 61.69 62.32 2otu s THR 91 Cb 0.20 -3.22 0.14 0.00 0.01 0.00 0.00 72.50 69.63 2otu s THR 91 CO 0.46 -0.02 1.42 0.00 -0.69 0.00 0.00 174.62 175.78 2otu s ALA 92 N 3.98 -2.58 -0.21 7.40 0.00 -0.54 -4.38 121.76 125.44 2otu s ALA 92 Ca 0.81 0.77 -0.18 0.00 0.00 0.00 0.00 51.96 53.35 2otu s ALA 92 Cb -0.39 0.40 -0.03 0.00 0.00 0.00 0.00 23.12 23.10 2otu s ALA 92 CO 0.36 -1.09 0.51 1.41 0.00 0.00 0.00 175.76 176.95 2otu s MET 93 N -2.02 4.16 -0.20 0.00 -2.45 -0.06 -0.97 119.30 117.76 2otu s MET 93 Ca 0.19 0.38 -0.09 0.00 -1.25 0.00 0.00 55.69 54.92 2otu s MET 93 Cb 0.06 -3.58 -0.05 0.00 1.25 0.00 0.00 34.83 32.51 2otu s MET 93 CO -0.06 -0.19 0.11 0.71 1.05 0.00 0.00 175.02 176.64 2otu s TYR 94 N 1.78 3.35 0.02 4.11 1.51 0.72 -0.59 117.35 128.25 2otu s TYR 94 Ca 0.23 0.24 0.07 0.00 -1.01 0.00 0.00 57.07 56.60 2otu s TYR 94 Cb -0.15 -2.14 -0.03 0.00 -0.11 0.00 0.00 41.96 39.53 2otu s TYR 94 CO 0.09 0.24 -0.21 0.71 -1.11 0.00 0.00 175.55 175.27 2otu s TYR 95 N 0.39 2.48 -0.01 2.71 1.51 0.17 -1.50 117.35 123.10 2otu s TYR 95 Ca 0.06 -0.31 -0.08 0.00 -1.01 0.00 0.00 57.07 55.73 2otu s TYR 95 Cb -0.12 -1.48 -0.05 0.00 -0.11 0.00 0.00 41.96 40.21 2otu s TYR 95 CO -0.01 0.15 0.28 0.00 -1.11 0.00 0.00 175.55 174.86 2otu s ALA 97 N -1.22 -0.11 0.06 0.00 0.00 -0.40 -1.62 121.76 118.47 2otu s ALA 97 Ca 0.25 -0.53 0.04 0.00 0.00 0.00 0.00 51.96 51.72 2otu s ALA 97 Cb -0.14 0.28 -0.03 0.00 0.00 0.00 0.00 23.12 23.23 2otu s ALA 97 CO 0.13 -0.34 -0.12 0.50 0.00 0.00 0.00 175.76 175.93 2otu s ARG 98 N -2.76 0.75 0.40 0.00 3.52 -0.48 -1.70 118.95 118.68 2otu s ARG 98 Ca -0.04 -0.86 0.07 0.00 -0.13 0.00 0.00 55.73 54.77 2otu s ARG 98 Cb -0.00 -0.70 0.07 0.00 -1.56 0.00 0.00 34.95 32.76 2otu s ARG 98 CO -0.05 0.15 0.55 0.41 -0.81 0.00 0.00 175.30 175.55 2otu n GLY 99 N 1.44 1.95 3.48 8.12 0.00 -0.77 -1.01 105.19 118.41 2otu n GLY 99 Ca -0.21 -2.20 -0.08 0.00 0.00 0.00 0.00 46.02 43.53 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 -3.81 0.57 7.56 1.61 3.52 -0.28 -4.75 118.95 123.37 2otu s ARG 100 Ca 0.42 1.06 0.00 0.00 -0.13 0.00 0.00 55.73 57.08 2otu s ARG 100 Cb -0.03 0.10 0.00 0.00 -1.56 0.00 0.00 34.95 33.46 2otu s ARG 100 CO 0.27 -0.16 0.00 0.41 -0.81 0.00 0.00 175.30 175.01 2otu n GLY 101 N 4.35 3.06 0.44 8.12 0.00 -1.26 -1.30 105.19 118.61 2otu n GLY 101 Ca -0.21 -0.05 0.05 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 10.27 0.03 -2.80 1.61 4.02 -1.26 -4.97 117.16 124.06 2otu n TYR 102 Ca 0.00 -0.04 -0.42 0.00 -0.01 0.00 0.00 57.90 57.43 2otu n TYR 102 Cb 0.00 -0.00 -0.03 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 -0.89 4.84 0.03 -0.72 1.01 -0.42 -4.97 120.40 119.29 2otu s VAL 103 Ca 0.13 1.82 -0.23 0.00 0.00 0.00 0.00 61.98 63.70 2otu s VAL 103 Cb 0.09 -4.22 -0.16 0.00 0.00 0.00 0.00 36.38 32.10 2otu s VAL 103 CO 0.13 0.02 1.42 -0.50 0.00 0.00 0.00 175.10 176.17 2otu h TRP 104 N 7.21 0.17 -2.72 5.22 4.06 -1.91 -0.72 115.95 127.26 2otu h TRP 104 Ca -0.30 -0.04 -0.70 0.00 2.06 0.00 0.00 58.89 59.91 2otu h TRP 104 Cb 1.14 -0.04 -0.35 0.00 -1.00 0.00 0.00 29.16 28.90 2otu h TRP 104 CO 0.71 0.46 0.04 1.19 -3.56 0.00 0.00 178.44 177.29 2otu n PHE 105 N -4.80 3.26 0.04 0.49 0.99 -1.26 -1.85 117.46 114.34 2otu n PHE 105 Ca -0.07 -3.56 -0.17 0.00 -0.00 0.00 0.00 57.45 53.65 2otu n PHE 105 Cb 0.22 -0.95 -0.14 0.00 -1.00 0.00 0.00 39.48 37.61 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 5.05 0.35 -3.92 4.37 0.00 -1.26 -3.46 119.26 120.38 2otu h ALA 106 Ca 0.19 -1.20 -0.65 0.00 0.00 0.00 0.00 54.91 53.25 2otu h ALA 106 Cb 0.68 0.39 -0.32 0.00 0.00 0.00 0.00 17.79 18.55 2otu h ALA 106 CO 1.03 1.21 -0.87 0.71 0.00 0.00 0.00 179.25 181.33 2otu s TYR 107 N -2.60 2.21 0.12 0.00 2.02 -0.35 -5.00 117.35 113.75 2otu s TYR 107 Ca -0.11 -0.68 0.09 0.00 -0.37 0.00 0.00 57.07 56.00 2otu s TYR 107 Cb 0.07 -1.47 -0.04 0.00 -0.40 0.00 0.00 41.96 40.13 2otu s TYR 107 CO 0.84 -0.22 -0.23 -1.58 -1.57 0.00 0.00 175.55 172.79 2otu s TRP 108 N -0.05 1.96 0.19 2.71 0.52 -1.26 -1.38 118.94 121.63 2otu s TRP 108 Ca -0.05 -0.41 -0.02 0.00 0.02 0.00 0.00 56.10 55.64 2otu s TRP 108 Cb -0.13 -1.06 0.04 0.00 -1.15 0.00 0.00 33.47 31.17 2otu s TRP 108 CO 0.04 0.26 0.26 0.41 0.02 0.00 0.00 176.95 177.93 2otu n GLY 109 N 0.97 -0.61 0.14 0.98 0.00 -0.64 -4.68 105.19 101.35 2otu n GLY 109 Ca -0.19 -1.77 0.12 0.00 0.00 0.00 0.00 46.02 44.19 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 -3.46 115.11 112.43 2otu h GLN 110 Ca -0.08 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.12 2otu h GLN 110 Cb 0.25 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.68 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 1.20 0.39 2.84 3.46 0.00 -1.26 -5.04 105.19 106.77 2otu n GLY 111 Ca 0.03 -1.63 -0.16 0.00 0.00 0.00 0.00 46.02 44.26 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 -2.82 0.14 -0.09 2.61 -1.32 -0.56 -4.77 115.64 108.83 2otu s THR 112 Ca 0.00 0.05 -0.20 0.00 -1.21 0.00 0.00 61.69 60.33 2otu s THR 112 Cb 0.00 -0.21 -0.04 0.00 -1.51 0.00 0.00 72.50 70.74 2otu s THR 112 CO 0.00 0.11 0.58 -0.89 -2.21 0.00 0.00 174.62 172.21 2otu s THR 113 N 0.73 5.12 -0.19 5.08 2.01 -1.26 -0.20 115.64 126.93 2otu s THR 113 Ca -0.07 1.17 -0.03 0.00 0.31 0.00 0.00 61.69 63.08 2otu s THR 113 Cb -0.10 -3.92 -0.01 0.00 0.01 0.00 0.00 72.50 68.48 2otu s THR 113 CO -0.01 0.30 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.45 2otu s VAL 114 N 0.67 3.26 -0.27 3.82 1.01 -0.15 -1.33 120.40 127.42 2otu s VAL 114 Ca 0.31 -0.55 0.01 0.00 0.00 0.00 0.00 61.98 61.75 2otu s VAL 114 Cb -0.16 -2.44 0.05 0.00 0.00 0.00 0.00 36.38 33.82 2otu s VAL 114 CO 0.14 0.46 -0.07 -0.89 0.00 0.00 0.00 175.10 174.74 2otu s THR 115 N 1.07 2.55 -0.30 3.92 2.01 -0.53 -1.46 115.64 122.90 2otu s THR 115 Ca 0.01 -1.41 -0.13 0.00 0.31 0.00 0.00 61.69 60.47 2otu s THR 115 Cb -0.15 -2.43 -0.03 0.00 0.01 0.00 0.00 72.50 69.90 2otu s THR 115 CO -0.01 0.02 0.25 -0.69 -0.69 0.00 0.00 174.62 173.50 2otu s VAL 116 N 1.20 5.26 0.43 3.82 1.01 -1.26 -0.70 120.40 130.17 2otu s VAL 116 Ca -0.05 0.12 -0.06 0.00 0.00 0.00 0.00 61.98 61.98 2otu s VAL 116 Cb -0.19 -3.64 0.09 0.00 0.00 0.00 0.00 36.38 32.64 2otu s VAL 116 CO -0.04 0.13 0.21 -1.54 0.00 0.00 0.00 175.10 173.85 2otu n SER 117 N 5.16 -2.06 0.00 3.32 3.41 0.24 -4.75 113.62 118.93 2otu n SER 117 Ca -0.12 -0.21 0.00 0.00 -0.26 0.00 0.00 58.87 58.28 2otu n SER 117 Cb 0.51 -0.32 0.00 0.00 -0.26 0.00 0.00 64.21 64.14 2otu n SER 117 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64