#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1otu s ARG 3 N 0.00 2.82 -0.35 7.34 0.52 0.57 -4.95 118.95 124.89 1otu s ARG 3 Ca 0.00 -0.84 0.01 0.00 -0.52 0.00 0.00 55.73 54.39 1otu s ARG 3 Cb 0.00 -2.31 0.10 0.00 0.52 0.00 0.00 34.95 33.26 1otu s ARG 3 CO 0.00 0.33 0.09 -1.17 0.02 0.00 0.00 175.30 174.57 1otu s LEU 4 N -0.02 4.78 -0.31 2.53 2.96 -1.26 -1.36 118.68 126.00 1otu s LEU 4 Ca -0.07 -2.01 -0.02 0.00 -0.22 0.00 0.00 54.13 51.82 1otu s LEU 4 Cb -0.15 -1.70 0.06 0.00 0.50 0.00 0.00 46.19 44.90 1otu s LEU 4 CO 0.05 -0.41 0.02 -0.22 -1.32 0.00 0.00 176.35 174.46 1otu s LEU 5 N 1.02 4.03 -0.21 -0.68 1.98 -0.32 -1.92 118.68 122.58 1otu s LEU 5 Ca 0.08 -1.36 -0.08 0.00 -2.89 0.00 0.00 54.13 49.88 1otu s LEU 5 Cb -0.20 -1.72 -0.04 0.00 0.66 0.00 0.00 46.19 44.89 1otu s LEU 5 CO -0.06 -0.29 0.07 -1.83 -1.89 0.00 0.00 176.35 172.35 1otu s GLU 6 N 1.24 3.88 0.00 1.98 1.03 -1.26 -0.10 118.70 125.47 1otu s GLU 6 Ca -0.04 -0.38 0.00 0.00 0.03 0.00 0.00 54.97 54.58 1otu s GLU 6 Cb -0.20 -3.27 0.00 0.00 -0.80 0.00 0.00 34.13 29.86 1otu s GLU 6 CO -0.01 0.11 0.00 -1.13 -1.33 0.00 0.00 175.26 172.90 1otu n SER 7 N 4.04 0.18 0.00 0.83 3.41 0.17 -4.39 113.62 117.85 1otu n SER 7 Ca -0.16 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.45 1otu n SER 7 Cb 0.52 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 1otu n SER 7 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1otu n GLY 8 N 5.00 1.90 2.82 5.00 0.00 -1.26 -2.73 105.19 115.92 1otu n GLY 8 Ca 0.00 -0.30 -0.06 0.00 0.00 0.00 0.00 46.02 45.66 1otu n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1otu n GLY 9 N 0.00 -1.46 0.00 -0.02 0.00 -1.26 -4.78 105.19 97.67 1otu n GLY 9 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.81 1otu n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1otu n GLY 10 N 2.89 0.33 3.54 -0.02 0.00 0.99 -4.88 105.19 108.05 1otu n GLY 10 Ca 0.01 -1.27 -0.35 0.00 0.00 0.00 0.00 46.02 44.42 1otu n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1otu s LEU 11 N 0.00 3.55 -0.02 0.99 2.96 -1.26 0.87 118.68 125.77 1otu s LEU 11 Ca 0.00 -0.06 -0.02 0.00 -0.22 0.00 0.00 54.13 53.83 1otu s LEU 11 Cb 0.00 -1.90 0.00 0.00 0.50 0.00 0.00 46.19 44.79 1otu s LEU 11 CO 0.00 0.11 0.05 0.68 -1.32 0.00 0.00 176.35 175.87 1otu s VAL 12 N 0.74 -0.00 0.11 1.68 -7.23 -0.58 -4.98 120.40 110.15 1otu s VAL 12 Ca 0.02 0.00 -0.25 0.00 -1.81 0.00 0.00 61.98 59.94 1otu s VAL 12 Cb -0.14 -0.08 -0.07 0.00 0.56 0.00 0.00 36.38 36.66 1otu s VAL 12 CO 0.02 0.00 0.77 0.00 -0.31 0.00 0.00 175.10 175.58 1otu s GLN 13 N 0.03 4.52 0.17 4.82 -2.07 -1.20 -0.64 119.66 125.30 1otu s GLN 13 Ca -0.00 1.10 -0.18 0.00 -1.82 0.00 0.00 55.36 54.46 1otu s GLN 13 Cb -0.00 -3.30 -0.11 0.00 -1.09 0.00 0.00 33.01 28.50 1otu s GLN 13 CO 0.00 0.45 0.28 -2.30 -1.32 0.00 0.00 175.29 172.40 1otu n PRO 14 N 2.12 0.00 -1.18 9.60 -0.02 -1.26 -1.43 135.00 142.83 1otu n PRO 14 Ca -0.04 0.00 -0.06 0.00 -2.02 0.00 0.00 63.50 61.37 1otu n PRO 14 Cb 0.49 -0.69 -0.03 0.00 -0.02 0.00 0.00 33.50 33.26 1otu n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1otu n GLY 15 N 1.43 0.85 1.36 -1.23 0.00 0.37 -4.89 105.19 103.09 1otu n GLY 15 Ca 0.11 -0.51 -0.07 0.00 0.00 0.00 0.00 46.02 45.56 1otu n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1otu n GLY 16 N -1.83 1.72 2.94 -0.02 0.00 -0.51 -4.33 105.19 103.16 1otu n GLY 16 Ca -0.06 -2.13 -0.13 0.00 0.00 0.00 0.00 46.02 43.69 1otu n GLY 16 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1otu s SER 17 N -2.29 -0.12 -0.03 1.61 0.01 -1.26 -1.42 113.70 110.20 1otu s SER 17 Ca 0.22 0.31 0.01 0.00 1.31 0.00 0.00 55.95 57.80 1otu s SER 17 Cb -0.02 0.21 0.01 0.00 0.21 0.00 0.00 66.02 66.44 1otu s SER 17 CO 0.14 -0.14 -0.04 -1.48 0.41 0.00 0.00 173.24 172.13 1otu s LEU 18 N 1.04 1.53 -0.73 2.44 2.34 -1.00 -4.99 118.68 119.30 1otu s LEU 18 Ca -0.08 -0.09 -0.18 0.00 0.06 0.00 0.00 54.13 53.84 1otu s LEU 18 Cb -0.10 -0.34 0.13 0.00 -0.56 0.00 0.00 46.19 45.32 1otu s LEU 18 CO -0.05 -0.02 0.84 -0.75 -1.06 0.00 0.00 176.35 175.31 1otu s LYS 19 N 0.58 3.31 0.23 1.48 2.20 -1.26 -2.95 119.74 123.32 1otu s LYS 19 Ca -0.07 -1.64 -0.30 0.00 -0.36 0.00 0.00 55.97 53.60 1otu s LYS 19 Cb -0.10 -4.47 -0.09 0.00 -1.51 0.00 0.00 37.83 31.66 1otu s LYS 19 CO -0.00 -1.57 1.17 -0.51 -0.36 0.00 0.00 175.35 174.07 1otu s LEU 20 N 2.26 4.48 0.20 5.43 1.43 0.29 -4.64 118.68 128.13 1otu s LEU 20 Ca 0.19 2.28 0.09 0.00 -1.03 0.00 0.00 54.13 55.65 1otu s LEU 20 Cb -0.16 -3.62 -0.04 0.00 0.03 0.00 0.00 46.19 42.40 1otu s LEU 20 CO -0.01 -0.30 -0.06 -0.44 0.23 0.00 0.00 176.35 175.77 1otu s SER 21 N -0.28 4.41 -0.26 2.29 0.01 -1.10 -2.01 113.70 116.75 1otu s SER 21 Ca 0.49 -0.56 -0.01 0.00 1.31 0.00 0.00 55.95 57.18 1otu s SER 21 Cb -0.33 -0.80 0.13 0.00 0.21 0.00 0.00 66.02 65.23 1otu s SER 21 CO 0.39 0.08 0.31 0.00 0.41 0.00 0.00 173.24 174.44 1otu s ALA 23 N 2.42 3.43 0.16 0.00 0.00 0.86 -1.01 121.76 127.62 1otu s ALA 23 Ca 0.10 -0.09 0.04 0.00 0.00 0.00 0.00 51.96 52.01 1otu s ALA 23 Cb -0.14 -2.80 -0.04 0.00 0.00 0.00 0.00 23.12 20.13 1otu s ALA 23 CO -0.25 -0.12 0.17 0.00 0.00 0.00 0.00 175.76 175.56 1otu s ALA 24 N 0.87 3.66 -0.21 0.00 0.00 -0.74 -1.17 121.76 124.17 1otu s ALA 24 Ca 0.30 -1.17 -0.28 0.00 0.00 0.00 0.00 51.96 50.82 1otu s ALA 24 Cb -0.16 -1.46 0.11 0.00 0.00 0.00 0.00 23.12 21.61 1otu s ALA 24 CO 0.13 0.52 0.95 -1.54 0.00 0.00 0.00 175.76 175.82 1otu s SER 25 N -3.11 -0.47 0.00 0.00 1.04 -0.47 -4.91 113.70 105.78 1otu s SER 25 Ca 0.32 0.74 0.00 0.00 0.48 0.00 0.00 55.95 57.48 1otu s SER 25 Cb -0.10 0.68 0.00 0.00 0.10 0.00 0.00 66.02 66.70 1otu s SER 25 CO 0.24 -0.29 0.00 0.61 0.98 0.00 0.00 173.24 174.79 1otu n GLY 26 N 1.56 0.94 3.70 7.32 0.00 -1.26 0.21 105.19 117.66 1otu n GLY 26 Ca -0.13 -0.09 0.02 0.00 0.00 0.00 0.00 46.02 45.82 1otu n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1otu s PHE 27 N -2.00 -0.03 -0.36 1.61 -0.71 -1.26 -3.50 117.98 111.74 1otu s PHE 27 Ca 0.00 -0.09 -0.27 0.00 -1.04 0.00 0.00 56.93 55.53 1otu s PHE 27 Cb 0.00 0.56 0.02 0.00 -1.21 0.00 0.00 43.02 42.38 1otu s PHE 27 CO 0.00 -0.30 0.97 0.34 -1.34 0.00 0.00 175.22 174.88 1otu s ASP 28 N -3.16 6.74 0.21 1.98 2.15 -1.26 -4.94 116.67 118.39 1otu s ASP 28 Ca 0.17 0.69 -0.10 0.00 0.43 0.00 0.00 52.55 53.75 1otu s ASP 28 Cb 0.04 -2.49 0.20 0.00 -0.30 0.00 0.00 42.92 40.37 1otu s ASP 28 CO -0.03 -0.87 1.85 0.22 -0.17 0.00 0.00 175.17 176.17 1otu h TYR 29 N 8.41 0.83 -1.69 -5.34 3.20 -1.96 -3.41 116.97 117.02 1otu h TYR 29 Ca -0.23 0.02 -0.12 0.00 3.14 0.00 0.00 58.73 61.55 1otu h TYR 29 Cb 1.07 -0.27 0.07 0.00 1.54 0.00 0.00 36.73 39.14 1otu h TYR 29 CO 0.84 0.47 -0.04 0.43 -1.64 0.00 0.00 178.16 178.22 1otu n SER 30 N -4.66 -2.44 0.00 -2.11 7.64 -1.26 -3.01 113.62 107.78 1otu n SER 30 Ca 0.08 -0.35 0.00 0.00 1.01 0.00 0.00 58.87 59.60 1otu n SER 30 Cb 0.09 -0.31 0.00 0.00 -1.01 0.00 0.00 64.21 62.98 1otu n SER 30 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1otu n ARG 31 N -3.07 0.00 -4.85 1.43 5.12 -1.26 -4.85 116.66 109.18 1otu n ARG 31 Ca 0.04 0.00 -0.33 0.00 -1.93 0.00 0.00 57.85 55.64 1otu n ARG 31 Cb 0.19 -3.26 -0.15 0.00 -1.16 0.00 0.00 32.46 28.07 1otu n ARG 31 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 1otu s TYR 32 N -0.74 2.75 -0.33 -1.55 4.12 -1.16 -4.98 117.35 115.44 1otu s TYR 32 Ca 0.00 -0.80 -0.23 0.00 0.02 0.00 0.00 57.07 56.06 1otu s TYR 32 Cb 0.00 -1.82 0.00 0.00 -1.52 0.00 0.00 41.96 38.63 1otu s TYR 32 CO 0.00 -0.30 0.79 -1.58 0.02 0.00 0.00 175.55 174.48 1otu s TRP 33 N 0.42 3.16 0.01 2.71 0.52 -1.26 -3.96 118.94 120.54 1otu s TRP 33 Ca -0.12 0.71 -0.10 0.00 0.02 0.00 0.00 56.10 56.62 1otu s TRP 33 Cb -0.16 -3.31 -0.05 0.00 -1.15 0.00 0.00 33.47 28.80 1otu s TRP 33 CO 0.06 -0.64 0.32 -1.64 0.02 0.00 0.00 176.95 175.07 1otu s MET 34 N 3.03 3.69 0.29 4.98 -1.94 -1.20 -0.26 119.30 127.90 1otu s MET 34 Ca 0.32 0.11 0.02 0.00 -1.71 0.00 0.00 55.69 54.43 1otu s MET 34 Cb -0.14 -3.10 -0.03 0.00 2.01 0.00 0.00 34.83 33.58 1otu s MET 34 CO 0.14 0.65 0.29 -1.54 -0.01 0.00 0.00 175.02 174.55 1otu s SER 35 N -1.48 1.04 0.04 3.03 1.04 -0.97 -0.24 113.70 116.16 1otu s SER 35 Ca 0.27 -1.57 0.04 0.00 0.48 0.00 0.00 55.95 55.17 1otu s SER 35 Cb -0.14 0.53 -0.02 0.00 0.10 0.00 0.00 66.02 66.49 1otu s SER 35 CO 0.14 -1.06 -0.12 0.26 0.98 0.00 0.00 173.24 173.45 1otu s TRP 36 N -3.58 1.03 -0.07 5.02 0.52 -0.79 -1.18 118.94 119.89 1otu s TRP 36 Ca 0.37 -0.37 -0.05 0.00 0.02 0.00 0.00 56.10 56.07 1otu s TRP 36 Cb 0.03 -0.61 0.02 0.00 -1.15 0.00 0.00 33.47 31.76 1otu s TRP 36 CO 0.21 0.01 0.17 0.08 0.02 0.00 0.00 176.95 177.44 1otu s VAL 37 N -0.95 -0.01 0.04 4.03 1.01 0.14 -1.20 120.40 123.47 1otu s VAL 37 Ca -0.01 0.03 0.09 0.00 0.00 0.00 0.00 61.98 62.08 1otu s VAL 37 Cb -0.08 -0.25 -0.03 0.00 0.00 0.00 0.00 36.38 36.02 1otu s VAL 37 CO 0.01 0.01 -0.25 0.00 0.00 0.00 0.00 175.10 174.87 1otu s ARG 38 N 0.26 1.86 -0.21 2.72 1.70 -0.69 -0.24 118.95 124.34 1otu s ARG 38 Ca -0.01 -1.08 -0.00 0.00 -0.47 0.00 0.00 55.73 54.16 1otu s ARG 38 Cb -0.03 -2.02 0.02 0.00 -0.57 0.00 0.00 34.95 32.36 1otu s ARG 38 CO -0.01 0.52 -0.14 -1.14 -1.08 0.00 0.00 175.30 173.45 1otu s GLN 39 N -1.25 2.94 0.09 3.89 0.74 0.26 -1.61 119.66 124.71 1otu s GLN 39 Ca 0.12 -0.88 -0.30 0.00 0.05 0.00 0.00 55.36 54.35 1otu s GLN 39 Cb -0.10 -2.75 -0.05 0.00 1.10 0.00 0.00 33.01 31.20 1otu s GLN 39 CO 0.02 -0.28 0.96 0.00 -0.55 0.00 0.00 175.29 175.44 1otu s ALA 40 N 1.31 3.23 -0.47 1.58 0.00 -1.21 0.14 121.76 126.33 1otu s ALA 40 Ca 0.03 0.56 -0.44 0.00 0.00 0.00 0.00 51.96 52.11 1otu s ALA 40 Cb -0.15 -3.28 -0.19 0.00 0.00 0.00 0.00 23.12 19.50 1otu s ALA 40 CO -0.09 -0.06 1.56 -2.30 0.00 0.00 0.00 175.76 174.88 1otu n PRO 41 N 2.96 0.00 0.00 0.00 -0.02 -1.26 -0.30 135.00 136.38 1otu n PRO 41 Ca 0.03 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.51 1otu n PRO 41 Cb 0.49 -1.42 0.00 0.00 -0.02 0.00 0.00 33.50 32.55 1otu n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1otu n GLY 42 N 4.08 1.78 0.56 -1.23 0.00 -1.26 -4.98 105.19 104.14 1otu n GLY 42 Ca 0.31 -0.29 -0.05 0.00 0.00 0.00 0.00 46.02 46.00 1otu n GLY 42 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1otu n LYS 43 N 0.00 -1.06 0.00 1.61 4.76 0.58 -5.10 118.16 118.96 1otu n LYS 43 Ca 0.00 -0.28 0.00 0.00 -2.87 0.00 0.00 58.31 55.16 1otu n LYS 43 Cb 0.00 -0.24 0.00 0.00 -1.84 0.00 0.00 35.03 32.95 1otu n LYS 43 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1otu n GLY 44 N 1.92 1.26 3.86 0.72 0.00 -1.26 -4.58 105.19 107.11 1otu n GLY 44 Ca 0.02 -1.86 -0.31 0.00 0.00 0.00 0.00 46.02 43.87 1otu n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1otu s LEU 45 N 0.00 4.13 -0.04 0.99 1.02 -1.26 -3.31 118.68 120.21 1otu s LEU 45 Ca 0.00 0.17 -0.02 0.00 0.02 0.00 0.00 54.13 54.30 1otu s LEU 45 Cb 0.00 -2.72 0.03 0.00 0.02 0.00 0.00 46.19 43.52 1otu s LEU 45 CO 0.00 0.18 0.06 -0.54 0.02 0.00 0.00 176.35 176.07 1otu s LYS 46 N -2.38 -0.07 0.15 1.70 1.02 -0.64 -4.98 119.74 114.55 1otu s LYS 46 Ca 0.32 0.36 -0.31 0.00 0.02 0.00 0.00 55.97 56.35 1otu s LYS 46 Cb -0.13 -0.46 -0.09 0.00 -0.52 0.00 0.00 37.83 36.64 1otu s LYS 46 CO 0.24 -0.30 1.43 -0.46 -0.92 0.00 0.00 175.35 175.34 1otu s TRP 47 N 1.99 3.18 0.00 3.18 -0.00 -1.26 -1.71 118.94 124.32 1otu s TRP 47 Ca 0.03 0.90 0.00 0.00 -0.00 0.00 0.00 56.10 57.02 1otu s TRP 47 Cb -0.12 -3.75 0.00 0.00 -0.00 0.00 0.00 33.47 29.60 1otu s TRP 47 CO -0.03 -2.63 0.00 -0.89 -0.00 0.00 0.00 176.95 173.40 1otu n ILE 48 N 3.68 0.00 -4.05 5.86 2.08 -0.34 -4.47 119.36 122.12 1otu n ILE 48 Ca 0.11 0.22 -0.10 0.00 0.56 0.00 0.00 62.75 63.54 1otu n ILE 48 Cb 0.41 -1.01 -0.03 0.00 -0.75 0.00 0.00 39.64 38.26 1otu n ILE 48 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1otu n GLY 49 N 2.15 3.18 3.49 7.39 0.00 -1.22 -1.31 105.19 118.87 1otu n GLY 49 Ca 0.00 -1.70 -0.12 0.00 0.00 0.00 0.00 46.02 44.21 1otu n GLY 49 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1otu s GLU 50 N -2.63 0.65 -0.23 1.61 -1.05 -0.77 -1.89 118.70 114.39 1otu s GLU 50 Ca 0.19 0.91 -0.02 0.00 -0.15 0.00 0.00 54.97 55.91 1otu s GLU 50 Cb 0.01 0.23 0.07 0.00 -0.44 0.00 0.00 34.13 34.00 1otu s GLU 50 CO 0.14 -0.11 0.05 -1.50 0.95 0.00 0.00 175.26 174.79 1otu s ILE 51 N 0.80 0.70 1.06 1.83 2.07 0.67 -2.26 121.20 126.06 1otu s ILE 51 Ca -0.04 -0.87 -0.19 0.00 -1.41 0.00 0.00 60.65 58.14 1otu s ILE 51 Cb -0.05 -1.29 0.03 0.00 0.13 0.00 0.00 42.46 41.28 1otu s ILE 51 CO -0.06 -0.35 -0.23 -0.46 -1.91 0.00 0.00 174.94 171.93 1otu n ASN 52 N 4.96 -2.64 0.00 4.50 6.94 -1.08 -3.27 115.26 124.67 1otu n ASN 52 Ca -0.07 -0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.48 1otu n ASN 52 Cb 0.45 -0.92 0.00 0.00 -2.36 0.00 0.00 39.78 36.96 1otu n ASN 52 CO 0.00 0.00 0.00 -2.65 -1.03 0.00 0.00 177.26 173.58 1otu n PRO 53 N -0.99 0.00 0.00 -0.53 -0.02 -1.25 -1.21 135.00 130.99 1otu n PRO 53 Ca 0.01 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 1otu n PRO 53 Cb 0.63 -1.15 0.00 0.00 -0.02 0.00 0.00 33.50 32.96 1otu n PRO 53 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 1otu n VAL 54 N -1.50 0.00 -2.25 -1.45 0.24 -1.26 -4.76 118.33 107.34 1otu n VAL 54 Ca 0.00 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.17 1otu n VAL 54 Cb 0.00 -0.35 -0.01 0.00 -1.47 0.00 0.00 33.84 32.01 1otu n VAL 54 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 1otu n SER 55 N -0.51 -3.91 -0.74 -1.34 3.41 -0.35 -4.78 113.62 105.40 1otu n SER 55 Ca 0.00 0.21 0.06 0.00 -0.26 0.00 0.00 58.87 58.87 1otu n SER 55 Cb 0.00 -3.37 0.17 0.00 -0.26 0.00 0.00 64.21 60.75 1otu n SER 55 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1otu n SER 56 N -1.58 2.15 -3.69 4.04 3.41 -1.26 -4.77 113.62 111.92 1otu n SER 56 Ca -0.15 -2.05 -0.12 0.00 -0.26 0.00 0.00 58.87 56.29 1otu n SER 56 Cb 0.58 -0.29 -0.09 0.00 -0.26 0.00 0.00 64.21 64.15 1otu n SER 56 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1otu s THR 57 N -1.55 -0.00 -0.26 6.66 2.01 -1.26 -5.06 115.64 116.18 1otu s THR 57 Ca 0.25 0.01 -0.07 0.00 0.31 0.00 0.00 61.69 62.20 1otu s THR 57 Cb 0.14 -0.76 0.13 0.00 0.01 0.00 0.00 72.50 72.02 1otu s THR 57 CO 0.16 0.01 0.54 -0.63 -0.69 0.00 0.00 174.62 174.00 1otu s ILE 58 N 0.61 -0.85 0.21 1.82 1.01 -1.26 -2.64 121.20 120.10 1otu s ILE 58 Ca -0.03 0.04 0.10 0.00 0.00 0.00 0.00 60.65 60.77 1otu s ILE 58 Cb -0.05 -0.88 -0.05 0.00 0.01 0.00 0.00 42.46 41.50 1otu s ILE 58 CO -0.04 0.01 -0.19 0.20 0.00 0.00 0.00 174.94 174.92 1otu s ASN 59 N 2.77 3.07 0.26 3.58 0.01 -0.96 -4.98 114.94 118.68 1otu s ASN 59 Ca 0.02 -0.95 0.01 0.00 -0.71 0.00 0.00 52.86 51.23 1otu s ASN 59 Cb -0.13 -0.21 -0.05 0.00 0.41 0.00 0.00 41.25 41.27 1otu s ASN 59 CO -0.17 -0.02 0.12 -0.31 -1.51 0.00 0.00 177.10 175.21 1otu s TYR 60 N -2.33 1.47 0.99 2.20 1.51 -1.26 -1.84 117.35 118.09 1otu s TYR 60 Ca 0.22 -1.26 -0.15 0.00 -1.01 0.00 0.00 57.07 54.87 1otu s TYR 60 Cb -0.05 -0.82 0.19 0.00 -0.11 0.00 0.00 41.96 41.18 1otu s TYR 60 CO 0.10 -0.44 1.20 0.95 -1.11 0.00 0.00 175.55 176.25 1otu s THR 61 N -3.81 1.90 -0.64 -0.71 -4.23 -0.42 -4.85 115.64 102.88 1otu s THR 61 Ca 0.38 0.00 -0.26 0.00 -1.18 0.00 0.00 61.69 60.63 1otu s THR 61 Cb 0.07 -2.80 -0.06 0.00 1.34 0.00 0.00 72.50 71.05 1otu s THR 61 CO 0.14 0.00 2.14 -2.84 -0.54 0.00 0.00 174.62 173.53 1otu s PRO 62 N -5.57 2.28 -0.07 3.99 0.02 -1.26 -4.81 135.00 129.59 1otu s PRO 62 Ca 0.69 0.74 -0.16 0.00 0.02 0.00 0.00 61.00 62.29 1otu s PRO 62 Cb -0.09 -4.61 0.03 0.00 0.02 0.00 0.00 34.50 29.85 1otu s PRO 62 CO 0.53 -3.27 0.39 -1.54 -0.33 0.00 0.00 177.00 172.78 1otu s SER 63 N 9.94 -0.33 1.17 2.53 1.04 -1.26 -5.17 113.70 121.62 1otu s SER 63 Ca 0.82 0.43 -0.09 0.00 0.48 0.00 0.00 55.95 57.59 1otu s SER 63 Cb -0.13 0.53 0.14 0.00 0.10 0.00 0.00 66.02 66.65 1otu s SER 63 CO 0.18 -0.35 0.31 0.18 0.98 0.00 0.00 173.24 174.53 1otu n LEU 64 N 1.81 0.00 0.00 2.42 4.77 -1.26 -4.92 117.00 119.82 1otu n LEU 64 Ca -0.18 -0.32 0.00 0.00 -0.03 0.00 0.00 56.01 55.48 1otu n LEU 64 Cb 0.57 -0.36 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 1otu n LEU 64 CO 0.19 -1.96 0.00 0.29 -1.33 0.00 0.00 177.39 174.57 1otu n LYS 65 N -3.35 0.00 -1.39 3.23 4.76 -1.26 -3.74 118.16 116.41 1otu n LYS 65 Ca 0.05 0.00 -0.10 0.00 -2.87 0.00 0.00 58.31 55.39 1otu n LYS 65 Cb 0.21 -0.01 0.11 0.00 -1.84 0.00 0.00 35.03 33.50 1otu n LYS 65 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1otu n ASP 66 N 0.00 3.38 -0.28 4.39 10.43 -1.26 -4.70 116.55 128.51 1otu n ASP 66 Ca 0.00 -3.77 0.09 0.00 2.57 0.00 0.00 54.79 53.68 1otu n ASP 66 Cb 0.00 -0.43 0.24 0.00 1.84 0.00 0.00 41.12 42.77 1otu n ASP 66 CO 0.00 0.00 0.00 0.50 -1.07 0.00 0.00 177.20 176.63 1otu h LYS 67 N 1.64 0.28 -6.64 -1.24 1.63 -1.86 -3.40 116.57 106.99 1otu h LYS 67 Ca 0.19 -0.02 -0.67 0.00 -0.85 0.00 0.00 60.65 59.30 1otu h LYS 67 Cb 1.30 -0.06 -0.17 0.00 -0.60 0.00 0.00 32.23 32.69 1otu h LYS 67 CO 0.40 0.19 -0.77 -0.06 -3.45 0.00 0.00 179.45 175.76 1otu s PHE 68 N -5.98 2.64 -0.44 1.91 0.40 -1.26 -1.44 117.98 113.80 1otu s PHE 68 Ca -0.12 -0.21 0.05 0.00 -0.60 0.00 0.00 56.93 56.05 1otu s PHE 68 Cb 0.23 -1.39 0.17 0.00 0.51 0.00 0.00 43.02 42.55 1otu s PHE 68 CO 0.77 0.40 0.48 0.42 0.70 0.00 0.00 175.22 177.99 1otu s ILE 69 N -1.17 -0.23 0.23 0.64 1.01 -0.55 -4.97 121.20 116.16 1otu s ILE 69 Ca 0.19 -1.80 -0.30 0.00 0.00 0.00 0.00 60.65 58.74 1otu s ILE 69 Cb -0.11 -0.73 -0.09 0.00 0.01 0.00 0.00 42.46 41.55 1otu s ILE 69 CO 0.12 -0.71 1.00 -0.63 0.00 0.00 0.00 174.94 174.71 1otu s ILE 70 N 0.57 3.93 0.35 2.92 1.01 -1.26 -2.96 121.20 125.77 1otu s ILE 70 Ca 0.29 1.89 -0.04 0.00 0.00 0.00 0.00 60.65 62.79 1otu s ILE 70 Cb -0.01 -4.21 0.01 0.00 0.01 0.00 0.00 42.46 38.27 1otu s ILE 70 CO -0.12 0.43 0.52 -0.94 0.00 0.00 0.00 174.94 174.83 1otu s SER 71 N -0.92 0.79 -0.20 3.58 1.04 -1.13 -5.00 113.70 111.86 1otu s SER 71 Ca 0.43 -1.44 -0.26 0.00 0.48 0.00 0.00 55.95 55.16 1otu s SER 71 Cb -0.28 0.69 0.07 0.00 0.10 0.00 0.00 66.02 66.60 1otu s SER 71 CO 0.34 -1.35 0.70 0.00 0.98 0.00 0.00 173.24 173.91 1otu s ARG 72 N -2.95 0.90 -0.58 4.02 1.70 -1.26 -0.40 118.95 120.37 1otu s ARG 72 Ca 0.28 0.76 0.01 0.00 -0.47 0.00 0.00 55.73 56.31 1otu s ARG 72 Cb -0.01 0.43 0.15 0.00 -0.57 0.00 0.00 34.95 34.95 1otu s ARG 72 CO 0.19 -0.17 0.36 0.34 -1.08 0.00 0.00 175.30 174.94 1otu s ASP 73 N -0.11 4.79 0.31 -2.89 2.15 -0.78 -4.92 116.67 115.23 1otu s ASP 73 Ca -0.03 -2.98 0.18 0.00 0.43 0.00 0.00 52.55 50.15 1otu s ASP 73 Cb -0.03 -1.75 1.00 0.00 -0.30 0.00 0.00 42.92 41.84 1otu s ASP 73 CO 0.04 -0.29 1.53 0.59 -0.17 0.00 0.00 175.17 176.87 1otu n ASN 74 N 3.24 0.48 0.23 -0.34 3.02 -1.26 0.67 115.26 121.30 1otu n ASN 74 Ca 0.07 0.69 0.15 0.00 -0.03 0.00 0.00 54.58 55.46 1otu n ASN 74 Cb 0.35 -0.72 0.52 0.00 -0.61 0.00 0.00 39.78 39.32 1otu n ASN 74 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1otu h ALA 75 N 1.74 1.00 0.00 5.41 0.00 -1.95 -3.00 119.26 122.47 1otu h ALA 75 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1otu h ALA 75 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1otu h ALA 75 CO 0.00 0.00 -0.08 1.63 0.00 0.00 0.00 179.25 180.80 1otu n LYS 76 N -2.92 1.43 -4.10 0.00 5.02 0.21 -4.99 118.16 112.82 1otu n LYS 76 Ca 0.02 -1.73 -0.34 0.00 -2.02 0.00 0.00 58.31 54.23 1otu n LYS 76 Cb 0.35 -1.06 -0.05 0.00 -0.02 0.00 0.00 35.03 34.25 1otu n LYS 76 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1otu n ASP 77 N -0.74 -2.24 -4.29 4.39 9.92 -0.58 -4.73 116.55 118.27 1otu n ASP 77 Ca 0.07 -0.89 -0.31 0.00 -0.53 0.00 0.00 54.79 53.13 1otu n ASP 77 Cb 0.51 -1.92 -0.16 0.00 -0.64 0.00 0.00 41.12 38.91 1otu n ASP 77 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 1otu s THR 78 N -3.06 2.02 -0.07 -3.53 2.01 -1.16 -1.79 115.64 110.05 1otu s THR 78 Ca 0.67 -1.08 -0.07 0.00 0.31 0.00 0.00 61.69 61.52 1otu s THR 78 Cb -0.38 -1.68 -0.04 0.00 0.01 0.00 0.00 72.50 70.40 1otu s THR 78 CO 0.82 0.57 0.18 -0.22 -0.69 0.00 0.00 174.62 175.28 1otu s LEU 79 N -0.48 4.39 0.30 4.42 2.96 -0.18 -1.86 118.68 128.23 1otu s LEU 79 Ca 0.06 0.48 0.08 0.00 -0.22 0.00 0.00 54.13 54.54 1otu s LEU 79 Cb -0.11 -2.28 -0.06 0.00 0.50 0.00 0.00 46.19 44.24 1otu s LEU 79 CO 0.00 0.36 -0.08 -0.31 -1.32 0.00 0.00 176.35 175.00 1otu s TYR 80 N -1.13 2.14 -0.24 5.38 1.51 0.47 -1.74 117.35 123.74 1otu s TYR 80 Ca 0.20 -0.61 -0.09 0.00 -1.01 0.00 0.00 57.07 55.56 1otu s TYR 80 Cb -0.13 -1.21 0.10 0.00 -0.11 0.00 0.00 41.96 40.61 1otu s TYR 80 CO 0.09 0.42 0.52 -1.17 -1.11 0.00 0.00 175.55 174.30 1otu s LEU 81 N -3.51 -0.81 -0.20 -1.29 2.96 -0.85 -2.84 118.68 112.14 1otu s LEU 81 Ca 0.31 1.23 -0.02 0.00 -0.22 0.00 0.00 54.13 55.43 1otu s LEU 81 Cb 0.03 1.76 -0.00 0.00 0.50 0.00 0.00 46.19 48.48 1otu s LEU 81 CO 0.14 -0.23 -0.09 -1.10 -1.32 0.00 0.00 176.35 173.75 1otu s GLN 82 N 2.58 3.29 -0.12 1.98 -0.21 -1.15 -0.55 119.66 125.47 1otu s GLN 82 Ca -0.04 -0.68 -0.00 0.00 0.02 0.00 0.00 55.36 54.65 1otu s GLN 82 Cb -0.11 -2.85 -0.02 0.00 1.00 0.00 0.00 33.01 31.02 1otu s GLN 82 CO -0.15 -0.15 -0.11 0.42 -2.12 0.00 0.00 175.29 173.17 1otu s ILE 83 N 1.29 3.23 0.27 1.08 1.01 -1.15 -1.49 121.20 125.43 1otu s ILE 83 Ca 0.03 -0.61 0.12 0.00 0.00 0.00 0.00 60.65 60.19 1otu s ILE 83 Cb -0.14 -2.35 -0.05 0.00 0.01 0.00 0.00 42.46 39.93 1otu s ILE 83 CO -0.04 0.53 -0.20 -0.94 0.00 0.00 0.00 174.94 174.29 1otu s SER 84 N 0.13 3.59 -1.19 3.58 1.04 -0.52 -2.37 113.70 117.96 1otu s SER 84 Ca -0.05 -1.00 -0.30 0.00 0.48 0.00 0.00 55.95 55.07 1otu s SER 84 Cb -0.15 -0.31 0.03 0.00 0.10 0.00 0.00 66.02 65.69 1otu s SER 84 CO 0.04 0.05 0.72 0.29 0.98 0.00 0.00 173.24 175.33 1otu n LYS 85 N -0.52 -0.60 -2.32 4.02 5.02 -0.51 -4.76 118.16 118.50 1otu n LYS 85 Ca -0.06 0.21 -0.34 0.00 -2.02 0.00 0.00 58.31 56.11 1otu n LYS 85 Cb 0.59 -3.11 -0.01 0.00 -0.02 0.00 0.00 35.03 32.48 1otu n LYS 85 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1otu s VAL 86 N -3.51 3.67 0.10 -0.18 -7.23 -0.94 -4.64 120.40 107.67 1otu s VAL 86 Ca 0.49 0.95 -0.02 0.00 -1.81 0.00 0.00 61.98 61.59 1otu s VAL 86 Cb -0.24 -3.39 -0.04 0.00 0.56 0.00 0.00 36.38 33.28 1otu s VAL 86 CO 0.93 -0.31 0.04 0.00 -0.31 0.00 0.00 175.10 175.46 1otu s ARG 87 N -3.53 0.82 0.53 4.82 1.70 -1.26 -0.48 118.95 121.55 1otu s ARG 87 Ca 0.67 -1.32 0.45 0.00 -0.47 0.00 0.00 55.73 55.06 1otu s ARG 87 Cb -0.18 0.24 1.66 0.00 -0.57 0.00 0.00 34.95 36.10 1otu s ARG 87 CO 0.27 -0.21 1.62 0.66 -1.08 0.00 0.00 175.30 176.55 1otu h SER 88 N 2.95 0.05 0.53 -2.89 4.64 -1.98 0.84 113.55 117.68 1otu h SER 88 Ca -0.34 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.00 1otu h SER 88 Cb 1.18 0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1otu h SER 88 CO 0.61 -0.04 0.00 -0.33 -0.87 0.00 0.00 176.83 176.20 1otu h GLU 89 N 0.01 0.00 -0.10 4.77 3.07 -1.98 -1.94 114.58 118.42 1otu h GLU 89 Ca 0.86 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.72 1otu h GLU 89 Cb 3.33 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 31.24 1otu h GLU 89 CO -0.09 0.00 0.00 -0.25 -1.40 0.00 0.00 179.01 177.27 1otu n ASP 90 N -2.40 1.72 -4.56 1.42 9.92 0.29 -4.80 116.55 118.14 1otu n ASP 90 Ca 0.01 -1.64 -0.43 0.00 -0.53 0.00 0.00 54.79 52.20 1otu n ASP 90 Cb 0.18 -0.06 -0.04 0.00 -0.64 0.00 0.00 41.12 40.56 1otu n ASP 90 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 1otu s THR 91 N -1.88 4.46 0.12 -3.53 2.01 -0.73 -4.83 115.64 111.26 1otu s THR 91 Ca 0.35 0.64 -0.15 0.00 0.31 0.00 0.00 61.69 62.84 1otu s THR 91 Cb 0.19 -4.45 0.05 0.00 0.01 0.00 0.00 72.50 68.31 1otu s THR 91 CO 0.30 -0.88 0.73 0.00 -0.69 0.00 0.00 174.62 174.07 1otu n ALA 92 N 7.20 -1.90 -2.69 7.40 0.00 -0.88 -4.38 120.51 125.26 1otu n ALA 92 Ca 0.05 -0.71 -0.39 0.00 0.00 0.00 0.00 53.44 52.40 1otu n ALA 92 Cb 0.48 0.38 -0.06 0.00 0.00 0.00 0.00 19.45 20.25 1otu n ALA 92 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1otu s LEU 93 N 0.00 4.21 -0.33 0.00 2.96 0.36 -2.29 118.68 123.59 1otu s LEU 93 Ca 0.16 0.75 -0.09 0.00 -0.22 0.00 0.00 54.13 54.73 1otu s LEU 93 Cb -0.02 -2.71 0.02 0.00 0.50 0.00 0.00 46.19 43.98 1otu s LEU 93 CO 0.04 -0.10 0.14 -0.31 -1.32 0.00 0.00 176.35 174.80 1otu s TYR 94 N 1.17 3.21 0.01 5.38 4.12 0.59 0.89 117.35 132.72 1otu s TYR 94 Ca 0.25 -1.00 -0.01 0.00 0.02 0.00 0.00 57.07 56.33 1otu s TYR 94 Cb -0.15 -2.34 -0.04 0.00 -1.52 0.00 0.00 41.96 37.91 1otu s TYR 94 CO 0.10 -0.61 0.11 0.71 0.02 0.00 0.00 175.55 175.88 1otu s TYR 95 N 1.52 3.36 -0.21 2.71 2.02 0.66 -3.04 117.35 124.37 1otu s TYR 95 Ca 0.02 0.23 -0.03 0.00 -0.37 0.00 0.00 57.07 56.92 1otu s TYR 95 Cb -0.18 -1.75 -0.00 0.00 -0.40 0.00 0.00 41.96 39.63 1otu s TYR 95 CO 0.05 0.58 -0.08 0.00 -1.57 0.00 0.00 175.55 174.52 1otu s ALA 97 N 1.43 4.33 -0.09 0.00 0.00 -0.33 -1.98 121.76 125.13 1otu s ALA 97 Ca 0.05 -1.73 0.01 0.00 0.00 0.00 0.00 51.96 50.30 1otu s ALA 97 Cb -0.14 -1.41 -0.02 0.00 0.00 0.00 0.00 23.12 21.55 1otu s ALA 97 CO -0.05 -0.24 -0.13 0.50 0.00 0.00 0.00 175.76 175.84 1otu s ARG 98 N -4.25 2.95 -0.11 0.00 3.52 -1.02 -2.30 118.95 117.74 1otu s ARG 98 Ca 0.52 -0.67 -0.04 0.00 -0.13 0.00 0.00 55.73 55.40 1otu s ARG 98 Cb -0.08 -2.53 -0.04 0.00 -1.56 0.00 0.00 34.95 30.75 1otu s ARG 98 CO 0.31 0.44 0.05 -0.51 -0.81 0.00 0.00 175.30 174.78 1otu s LEU 99 N -0.23 3.87 0.00 -0.88 1.43 0.64 -0.54 118.68 122.98 1otu s LEU 99 Ca 0.01 0.24 0.00 0.00 -1.03 0.00 0.00 54.13 53.35 1otu s LEU 99 Cb -0.13 -1.92 0.00 0.00 0.03 0.00 0.00 46.19 44.17 1otu s LEU 99 CO 0.03 0.36 0.00 0.00 0.23 0.00 0.00 176.35 176.97 1otu n TYR 100 N 2.29 -0.27 -3.70 0.29 9.36 -1.09 -4.16 117.16 119.88 1otu n TYR 100 Ca -0.19 0.00 -0.07 0.00 3.32 0.00 0.00 57.90 60.96 1otu n TYR 100 Cb 0.54 0.00 -0.02 0.00 -0.63 0.00 0.00 39.34 39.23 1otu n TYR 100 CO 0.00 0.00 0.00 1.52 0.22 0.00 0.00 176.86 178.60 1otu s TYR 101 N -3.90 -0.27 0.00 2.98 -0.85 -1.26 -0.74 117.35 113.31 1otu s TYR 101 Ca 0.00 -0.07 0.00 0.00 -0.52 0.00 0.00 57.07 56.48 1otu s TYR 101 Cb 0.00 0.64 0.00 0.00 0.38 0.00 0.00 41.96 42.98 1otu s TYR 101 CO 0.00 -0.99 0.00 0.41 -1.52 0.00 0.00 175.55 173.45 1otu n GLY 102 N -0.42 0.20 0.18 5.49 0.00 -1.26 -4.74 105.19 104.64 1otu n GLY 102 Ca -0.08 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.08 1otu n GLY 102 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1otu h TYR 103 N 0.00 0.00 0.00 1.61 0.05 -2.02 -3.45 116.97 113.16 1otu h TYR 103 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1otu h TYR 103 Cb 0.00 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.74 1otu h TYR 103 CO 0.00 0.00 0.00 0.41 -1.05 0.00 0.00 178.16 177.52 1otu n GLY 104 N -0.39 0.96 2.94 3.88 0.00 -1.26 -5.05 105.19 106.28 1otu n GLY 104 Ca 0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 1otu n GLY 104 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1otu n TYR 105 N 0.00 3.43 0.00 1.61 4.02 -1.26 -4.96 117.16 119.99 1otu n TYR 105 Ca 0.00 -2.91 0.00 0.00 -0.01 0.00 0.00 57.90 54.98 1otu n TYR 105 Cb 0.00 -2.17 0.00 0.00 -0.02 0.00 0.00 39.34 37.15 1otu n TYR 105 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 176.86 176.76 1otu n TRP 106 N 4.90 0.00 -4.32 -0.72 7.02 -1.26 -4.76 117.44 118.30 1otu n TRP 106 Ca 0.43 0.00 -0.16 0.00 -1.02 0.00 0.00 57.50 56.75 1otu n TRP 106 Cb 0.38 0.00 -0.10 0.00 -2.42 0.00 0.00 31.31 29.17 1otu n TRP 106 CO 0.00 0.00 0.00 1.52 -2.02 0.00 0.00 177.69 177.19 1otu s TYR 107 N 0.00 1.52 -0.66 -5.99 -0.85 0.08 -4.96 117.35 106.49 1otu s TYR 107 Ca 0.00 -1.08 -0.20 0.00 -0.52 0.00 0.00 57.07 55.27 1otu s TYR 107 Cb 0.00 -0.90 0.10 0.00 0.38 0.00 0.00 41.96 41.55 1otu s TYR 107 CO 0.00 -0.23 0.82 -0.06 -1.52 0.00 0.00 175.55 174.57 1otu s PHE 108 N -3.63 2.96 0.00 -3.49 0.40 -1.26 -2.66 117.98 110.30 1otu s PHE 108 Ca 0.33 -0.95 0.00 0.00 -0.60 0.00 0.00 56.93 55.72 1otu s PHE 108 Cb 0.07 -4.11 0.00 0.00 0.51 0.00 0.00 43.02 39.49 1otu s PHE 108 CO 0.11 -1.40 0.75 -3.47 0.70 0.00 0.00 175.22 171.91 1otu n ASP 109 N 6.62 0.00 -3.99 1.36 2.03 0.30 -4.67 116.55 118.20 1otu n ASP 109 Ca -0.03 0.75 -0.31 0.00 0.52 0.00 0.00 54.79 55.72 1otu n ASP 109 Cb 0.44 -0.25 -0.15 0.00 -0.72 0.00 0.00 41.12 40.44 1otu n ASP 109 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1otu s VAL 110 N -2.01 2.04 0.15 5.18 1.01 -1.18 -4.94 120.40 120.65 1otu s VAL 110 Ca 0.00 -2.04 -0.30 0.00 0.00 0.00 0.00 61.98 59.64 1otu s VAL 110 Cb 0.00 -2.44 -0.07 0.00 0.00 0.00 0.00 36.38 33.87 1otu s VAL 110 CO 0.00 -0.48 1.05 0.26 0.00 0.00 0.00 175.10 175.93 1otu s TRP 111 N 1.05 3.67 0.00 5.22 0.52 -1.26 -2.43 118.94 125.71 1otu s TRP 111 Ca 0.07 1.66 0.00 0.00 0.02 0.00 0.00 56.10 57.85 1otu s TRP 111 Cb -0.19 -3.20 0.00 0.00 -1.15 0.00 0.00 33.47 28.93 1otu s TRP 111 CO -0.09 -0.33 0.00 0.41 0.02 0.00 0.00 176.95 176.96 1otu n GLY 112 N 2.15 -2.26 0.00 0.98 0.00 -0.84 -4.89 105.19 100.32 1otu n GLY 112 Ca 0.03 -1.45 0.00 0.00 0.00 0.00 0.00 46.02 44.60 1otu n GLY 112 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1otu n ALA 113 N -3.00 -0.01 0.00 4.61 0.00 -0.81 -4.87 120.51 116.43 1otu n ALA 113 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1otu n ALA 113 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1otu n ALA 113 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1otu n GLY 114 N 0.16 2.34 3.63 0.00 0.00 -1.26 -4.96 105.19 105.11 1otu n GLY 114 Ca 0.00 -1.24 -0.12 0.00 0.00 0.00 0.00 46.02 44.66 1otu n GLY 114 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1otu s THR 115 N -2.00 0.00 -0.07 2.61 -1.32 -1.17 -4.58 115.64 109.11 1otu s THR 115 Ca 0.00 0.00 0.01 0.00 -1.21 0.00 0.00 61.69 60.49 1otu s THR 115 Cb 0.00 -1.00 -0.03 0.00 -1.51 0.00 0.00 72.50 69.96 1otu s THR 115 CO 0.00 0.00 -0.07 -0.89 -2.21 0.00 0.00 174.62 171.45 1otu s THR 116 N 0.68 3.72 -0.17 5.08 2.01 -1.26 -0.30 115.64 125.40 1otu s THR 116 Ca -0.02 -0.47 0.01 0.00 0.31 0.00 0.00 61.69 61.52 1otu s THR 116 Cb -0.05 -2.53 0.03 0.00 0.01 0.00 0.00 72.50 69.96 1otu s THR 116 CO -0.05 0.59 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.63 1otu s VAL 117 N -0.75 1.79 -0.18 3.82 1.01 -0.97 0.33 120.40 125.45 1otu s VAL 117 Ca 0.11 -0.85 -0.02 0.00 0.00 0.00 0.00 61.98 61.22 1otu s VAL 117 Cb -0.11 -1.69 -0.01 0.00 0.00 0.00 0.00 36.38 34.56 1otu s VAL 117 CO 0.02 0.42 -0.08 0.42 0.00 0.00 0.00 175.10 175.88 1otu s THR 118 N 1.38 3.31 -0.28 3.92 -4.23 0.25 -2.07 115.64 117.93 1otu s THR 118 Ca 0.03 -0.54 -0.15 0.00 -1.18 0.00 0.00 61.69 59.86 1otu s THR 118 Cb -0.14 -2.46 -0.04 0.00 1.34 0.00 0.00 72.50 71.21 1otu s THR 118 CO -0.11 0.47 0.37 -0.69 -0.54 0.00 0.00 174.62 174.12 1otu s VAL 119 N 0.91 5.18 -0.12 2.29 1.01 -1.26 -1.53 120.40 126.88 1otu s VAL 119 Ca -0.02 0.51 -0.33 0.00 0.00 0.00 0.00 61.98 62.15 1otu s VAL 119 Cb -0.15 -3.70 0.13 0.00 0.00 0.00 0.00 36.38 32.66 1otu s VAL 119 CO 0.00 0.14 1.11 -0.55 0.00 0.00 0.00 175.10 175.81 1otu s SER 120 N 1.65 -0.20 0.00 3.32 0.15 0.19 -4.81 113.70 114.00 1otu s SER 120 Ca 0.14 -0.01 0.27 0.00 0.70 0.00 0.00 55.95 57.05 1otu s SER 120 Cb -0.16 0.22 0.84 0.00 -1.71 0.00 0.00 66.02 65.21 1otu s SER 120 CO 0.10 -0.37 1.62 -1.20 1.20 0.00 0.00 173.24 174.59 1otu n SER 121 N -0.16 1.28 -2.94 5.45 7.64 -1.26 -3.22 113.62 120.40 1otu n SER 121 Ca -0.03 -1.16 0.00 0.00 1.01 0.00 0.00 58.87 58.69 1otu n SER 121 Cb 0.59 0.09 0.00 0.00 -1.01 0.00 0.00 64.21 63.88 1otu n SER 121 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1otu n ALA 122 N -0.27 0.00 -2.68 -0.43 0.00 -1.26 -5.01 120.51 110.86 1otu n ALA 122 Ca 0.15 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.39 1otu n ALA 122 Cb 0.36 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.66 1otu n ALA 122 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1otu s LYS 123 N -0.45 0.88 -0.25 0.00 1.02 -1.26 -5.03 119.74 114.64 1otu s LYS 123 Ca 0.00 -0.37 -0.28 0.00 0.02 0.00 0.00 55.97 55.33 1otu s LYS 123 Cb 0.00 -0.84 -0.04 0.00 -0.52 0.00 0.00 37.83 36.43 1otu s LYS 123 CO 0.00 0.22 1.94 0.95 -0.92 0.00 0.00 175.35 177.54 1otu s THR 124 N -0.21 3.30 -0.27 2.17 -4.23 -1.26 -4.70 115.64 110.44 1otu s THR 124 Ca 0.03 0.32 -0.04 0.00 -1.18 0.00 0.00 61.69 60.83 1otu s THR 124 Cb -0.05 -3.38 0.02 0.00 1.34 0.00 0.00 72.50 70.44 1otu s THR 124 CO -0.00 -0.22 0.00 -0.89 -0.54 0.00 0.00 174.62 172.97 1otu s THR 125 N 7.03 3.34 1.02 3.99 2.01 0.19 -4.89 115.64 128.33 1otu s THR 125 Ca 0.87 -0.91 -0.12 0.00 0.31 0.00 0.00 61.69 61.84 1otu s THR 125 Cb -0.28 -2.72 0.18 0.00 0.01 0.00 0.00 72.50 69.69 1otu s THR 125 CO 0.34 0.13 0.97 -0.81 -0.69 0.00 0.00 174.62 174.56 1otu n PRO 126 N 4.75 -1.17 -4.06 4.92 -0.04 -1.26 -0.86 135.00 137.27 1otu n PRO 126 Ca -0.15 -0.29 -0.22 0.00 -0.04 0.00 0.00 63.50 62.79 1otu n PRO 126 Cb 0.47 -2.22 -0.04 0.00 -0.04 0.00 0.00 33.50 31.67 1otu n PRO 126 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 1otu s PRO 127 N -4.40 3.11 -0.15 0.54 0.04 -1.26 -4.10 135.00 128.77 1otu s PRO 127 Ca 0.66 -0.94 -0.04 0.00 0.04 0.00 0.00 61.00 60.72 1otu s PRO 127 Cb -0.23 -2.68 -0.03 0.00 0.04 0.00 0.00 34.50 31.60 1otu s PRO 127 CO 0.62 0.42 -0.01 -1.12 0.04 0.00 0.00 177.00 176.94 1otu s SER 128 N -3.84 5.02 -0.20 6.66 0.01 -0.23 -4.96 113.70 116.14 1otu s SER 128 Ca 0.33 -0.05 -0.03 0.00 1.31 0.00 0.00 55.95 57.51 1otu s SER 128 Cb -0.08 -1.77 -0.01 0.00 0.21 0.00 0.00 66.02 64.37 1otu s SER 128 CO 0.26 0.20 -0.07 -0.69 0.41 0.00 0.00 173.24 173.35 1otu s VAL 129 N 0.18 3.18 -0.10 3.43 1.01 -1.26 -1.64 120.40 125.20 1otu s VAL 129 Ca -0.00 -0.56 0.04 0.00 0.00 0.00 0.00 61.98 61.45 1otu s VAL 129 Cb -0.13 -2.43 -0.00 0.00 0.00 0.00 0.00 36.38 33.82 1otu s VAL 129 CO 0.02 0.45 -0.23 -0.31 0.00 0.00 0.00 175.10 175.03 1otu s TYR 130 N 1.31 2.59 0.04 5.22 2.02 0.39 -4.97 117.35 123.95 1otu s TYR 130 Ca 0.04 -1.04 -0.31 0.00 -0.37 0.00 0.00 57.07 55.40 1otu s TYR 130 Cb -0.14 -1.73 -0.06 0.00 -0.40 0.00 0.00 41.96 39.63 1otu s TYR 130 CO -0.03 -0.42 1.38 -1.25 -1.57 0.00 0.00 175.55 173.66 1otu s PRO 131 N 0.37 4.31 -1.04 -1.71 0.04 -1.26 0.51 135.00 136.22 1otu s PRO 131 Ca -0.18 1.98 -0.06 0.00 0.04 0.00 0.00 61.00 62.78 1otu s PRO 131 Cb -0.18 -3.46 0.26 0.00 0.04 0.00 0.00 34.50 31.16 1otu s PRO 131 CO 0.08 -0.50 0.99 1.28 0.04 0.00 0.00 177.00 178.89 1otu n LEU 132 N 4.81 5.02 -4.86 -3.56 4.77 0.13 -4.90 117.00 118.42 1otu n LEU 132 Ca 0.12 -5.08 -0.33 0.00 -0.03 0.00 0.00 56.01 50.70 1otu n LEU 132 Cb 0.43 -1.33 -0.06 0.00 -2.33 0.00 0.00 43.42 40.13 1otu n LEU 132 CO 0.58 1.43 0.32 0.00 -1.33 0.00 0.00 177.39 178.40 1otu s ALA 133 N -1.34 3.45 0.76 -1.18 0.00 -1.26 -3.21 121.76 118.97 1otu s ALA 133 Ca 0.30 -0.09 -0.15 0.00 0.00 0.00 0.00 51.96 52.02 1otu s ALA 133 Cb -0.09 -2.62 0.05 0.00 0.00 0.00 0.00 23.12 20.47 1otu s ALA 133 CO -0.10 0.41 1.22 -2.14 0.00 0.00 0.00 175.76 175.16 1otu s PRO 134 N -2.77 1.92 1.45 0.00 0.02 -1.26 -4.88 135.00 129.49 1otu s PRO 134 Ca 0.49 1.82 -0.24 0.00 0.02 0.00 0.00 61.00 63.09 1otu s PRO 134 Cb -0.11 -1.80 0.37 0.00 0.02 0.00 0.00 34.50 32.98 1otu s PRO 134 CO 0.19 -2.01 0.92 0.41 -0.33 0.00 0.00 177.00 176.18 1otu n GLY 135 N 0.54 -3.77 0.16 0.52 0.00 -1.26 -4.28 105.19 97.10 1otu n GLY 135 Ca 0.14 -1.33 0.00 0.00 0.00 0.00 0.00 46.02 44.83 1otu n GLY 135 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1otu h SER 136 N -3.52 0.02 -0.38 1.61 0.02 -1.93 -2.71 113.55 106.66 1otu h SER 136 Ca -0.40 -0.01 -0.22 0.00 -0.84 0.00 0.00 61.79 60.32 1otu h SER 136 Cb 1.33 -0.01 -0.11 0.00 0.14 0.00 0.00 62.40 63.75 1otu h SER 136 CO 0.25 0.53 0.28 0.00 -1.14 0.00 0.00 176.83 176.74 1otu n ALA 137 N -2.44 4.15 -1.75 3.77 0.00 -1.26 -4.91 120.51 118.06 1otu n ALA 137 Ca -0.01 -1.18 -0.40 0.00 0.00 0.00 0.00 53.44 51.84 1otu n ALA 137 Cb 0.53 -1.22 -0.03 0.00 0.00 0.00 0.00 19.45 18.73 1otu n ALA 137 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1otu s ALA 138 N -1.32 2.39 -1.08 0.00 0.00 -1.02 -4.86 121.76 115.86 1otu s ALA 138 Ca 0.23 0.25 -0.07 0.00 0.00 0.00 0.00 51.96 52.37 1otu s ALA 138 Cb 0.18 -4.17 -0.06 0.00 0.00 0.00 0.00 23.12 19.08 1otu s ALA 138 CO 0.02 -3.36 2.30 0.00 0.00 0.00 0.00 175.76 174.73 1otu n ALA 139 N 12.64 5.36 -1.39 0.00 0.00 -1.26 -4.87 120.51 130.99 1otu n ALA 139 Ca 0.29 -2.36 -0.16 0.00 0.00 0.00 0.00 53.44 51.21 1otu n ALA 139 Cb 0.49 -3.09 -0.17 0.00 0.00 0.00 0.00 19.45 16.68 1otu n ALA 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1otu n ALA 140 N 4.10 0.93 -2.45 0.00 0.00 -1.26 -4.89 120.51 116.94 1otu n ALA 140 Ca 0.52 -0.92 0.00 0.00 0.00 0.00 0.00 53.44 53.04 1otu n ALA 140 Cb 0.16 -2.03 0.00 0.00 0.00 0.00 0.00 19.45 17.58 1otu n ALA 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1otu n ALA 141 N 6.29 0.00 -0.28 0.00 0.00 -1.26 -4.99 120.51 120.28 1otu n ALA 141 Ca 0.51 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.97 1otu n ALA 141 Cb 0.25 0.00 0.09 0.00 0.00 0.00 0.00 19.45 19.79 1otu n ALA 141 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1otu h SER 142 N 0.00 -0.74 -3.60 0.00 4.64 -1.98 -3.40 113.55 108.48 1otu h SER 142 Ca 0.00 0.24 -0.67 0.00 -0.47 0.00 0.00 61.79 60.89 1otu h SER 142 Cb 0.00 0.49 -0.17 0.00 -0.31 0.00 0.00 62.40 62.42 1otu h SER 142 CO 0.00 -0.26 -0.71 -0.04 -0.87 0.00 0.00 176.83 174.95 1otu s MET 143 N -6.24 2.45 -0.17 4.77 1.00 -1.26 -1.44 119.30 118.41 1otu s MET 143 Ca -0.15 -0.80 0.01 0.00 0.00 0.00 0.00 55.69 54.75 1otu s MET 143 Cb 0.23 -2.45 0.02 0.00 0.00 0.00 0.00 34.83 32.62 1otu s MET 143 CO 0.75 0.58 -0.20 0.54 0.00 0.00 0.00 175.02 176.69 1otu s VAL 144 N -1.06 1.99 -0.26 -6.03 0.11 0.37 -4.66 120.40 110.85 1otu s VAL 144 Ca 0.19 -0.90 -0.17 0.00 -2.93 0.00 0.00 61.98 58.16 1otu s VAL 144 Cb -0.11 -1.79 -0.03 0.00 -1.53 0.00 0.00 36.38 32.92 1otu s VAL 144 CO 0.10 0.53 0.49 -0.89 -3.33 0.00 0.00 175.10 171.99 1otu s THR 145 N 1.21 5.09 0.00 5.04 2.01 -1.26 -1.41 115.64 126.32 1otu s THR 145 Ca 0.02 0.82 0.00 0.00 0.31 0.00 0.00 61.69 62.84 1otu s THR 145 Cb -0.14 -3.80 0.00 0.00 0.01 0.00 0.00 72.50 68.57 1otu s THR 145 CO -0.10 0.10 0.00 0.18 -0.69 0.00 0.00 174.62 174.11 1otu n LEU 146 N 5.50 0.00 0.00 4.42 4.77 -1.00 -4.60 117.00 126.08 1otu n LEU 146 Ca -0.05 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.93 1otu n LEU 146 Cb 0.50 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 1otu n LEU 146 CO 0.40 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.07 1otu n GLY 147 N 5.00 3.82 3.12 -0.72 0.00 -1.20 -3.16 105.19 112.05 1otu n GLY 147 Ca 0.00 -1.26 -0.16 0.00 0.00 0.00 0.00 46.02 44.60 1otu n GLY 147 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1otu s LEU 149 N -1.65 4.09 -0.28 0.00 2.96 0.18 -0.89 118.68 123.09 1otu s LEU 149 Ca -0.06 0.15 -0.01 0.00 -0.22 0.00 0.00 54.13 53.99 1otu s LEU 149 Cb -0.10 -2.07 0.04 0.00 0.50 0.00 0.00 46.19 44.56 1otu s LEU 149 CO 0.01 0.13 -0.03 -0.69 -1.32 0.00 0.00 176.35 174.45 1otu s VAL 150 N 0.65 2.84 0.07 1.68 1.01 0.15 -0.46 120.40 126.34 1otu s VAL 150 Ca 0.07 -1.30 -0.00 0.00 0.00 0.00 0.00 61.98 60.75 1otu s VAL 150 Cb -0.12 -2.58 -0.04 0.00 0.00 0.00 0.00 36.38 33.64 1otu s VAL 150 CO 0.01 0.00 -0.03 -1.59 0.00 0.00 0.00 175.10 173.50 1otu s LYS 151 N 1.26 0.70 -0.60 2.72 -2.85 -0.65 0.14 119.74 120.46 1otu s LYS 151 Ca -0.04 -1.27 -0.01 0.00 -1.00 0.00 0.00 55.97 53.64 1otu s LYS 151 Cb -0.19 0.12 -0.02 0.00 -2.06 0.00 0.00 37.83 35.68 1otu s LYS 151 CO -0.03 -0.11 0.51 0.41 0.10 0.00 0.00 175.35 176.24 1otu n GLY 152 N 0.05 -0.07 3.10 0.59 0.00 -0.02 -1.07 105.19 107.77 1otu n GLY 152 Ca -0.13 -0.02 -0.09 0.00 0.00 0.00 0.00 46.02 45.78 1otu n GLY 152 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1otu s TYR 153 N -3.20 0.66 -0.27 1.61 -0.85 -1.06 -4.25 117.35 109.99 1otu s TYR 153 Ca 0.10 -0.87 -0.25 0.00 -0.52 0.00 0.00 57.07 55.54 1otu s TYR 153 Cb -0.01 -0.42 0.09 0.00 0.38 0.00 0.00 41.96 42.00 1otu s TYR 153 CO 0.39 -0.23 0.82 0.12 -1.52 0.00 0.00 175.55 175.13 1otu s PHE 154 N -3.18 -0.69 0.07 -3.49 5.36 -0.04 0.12 117.98 116.13 1otu s PHE 154 Ca 0.04 1.68 0.01 0.00 -0.96 0.00 0.00 56.93 57.69 1otu s PHE 154 Cb 0.02 0.31 0.01 0.00 -0.34 0.00 0.00 43.02 43.03 1otu s PHE 154 CO -0.05 -0.33 0.09 -0.35 -1.46 0.00 0.00 175.22 173.11 1otu n PRO 155 N 2.59 0.80 -1.37 10.12 -0.04 -1.26 0.54 135.00 146.39 1otu n PRO 155 Ca -0.14 -0.31 -0.33 0.00 -0.04 0.00 0.00 63.50 62.68 1otu n PRO 155 Cb 0.55 -0.04 0.09 0.00 -0.04 0.00 0.00 33.50 34.06 1otu n PRO 155 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1otu s GLU 156 N -2.42 2.15 0.46 0.54 0.41 -1.26 -4.80 118.70 113.77 1otu s GLU 156 Ca 0.07 1.53 0.01 0.00 -0.41 0.00 0.00 54.97 56.16 1otu s GLU 156 Cb -0.00 -1.86 -0.00 0.00 -1.78 0.00 0.00 34.13 30.48 1otu s GLU 156 CO 0.04 -1.78 0.04 -0.35 -0.49 0.00 0.00 175.26 172.72 1otu n PRO 157 N -3.03 0.75 -4.44 0.39 -0.04 -1.26 -4.89 135.00 122.49 1otu n PRO 157 Ca 0.12 -3.50 -0.25 0.00 -0.04 0.00 0.00 63.50 59.82 1otu n PRO 157 Cb 0.51 1.20 -0.13 0.00 -0.04 0.00 0.00 33.50 35.04 1otu n PRO 157 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1otu s VAL 158 N -2.84 1.74 -0.20 0.52 -7.23 -1.26 -4.38 120.40 106.75 1otu s VAL 158 Ca 0.06 -1.43 -0.01 0.00 -1.81 0.00 0.00 61.98 58.78 1otu s VAL 158 Cb 0.00 -1.55 0.01 0.00 0.56 0.00 0.00 36.38 35.40 1otu s VAL 158 CO 0.04 0.06 -0.12 0.42 -0.31 0.00 0.00 175.10 175.19 1otu s THR 159 N -1.01 2.75 -0.17 5.32 -4.23 -0.58 -4.95 115.64 112.76 1otu s THR 159 Ca 0.07 -0.71 0.00 0.00 -1.18 0.00 0.00 61.69 59.88 1otu s THR 159 Cb -0.10 -2.21 0.00 0.00 1.34 0.00 0.00 72.50 71.54 1otu s THR 159 CO 0.03 0.48 -0.16 -0.69 -0.54 0.00 0.00 174.62 173.75 1otu s VAL 160 N 1.37 2.54 0.29 2.29 1.01 -1.26 -2.20 120.40 124.44 1otu s VAL 160 Ca 0.05 -0.80 0.03 0.00 0.00 0.00 0.00 61.98 61.27 1otu s VAL 160 Cb -0.14 -2.08 -0.06 0.00 0.00 0.00 0.00 36.38 34.10 1otu s VAL 160 CO -0.08 0.51 0.05 0.42 0.00 0.00 0.00 175.10 176.00 1otu s THR 161 N 1.05 1.07 -0.04 3.92 -4.23 -1.00 -5.00 115.64 111.41 1otu s THR 161 Ca -0.01 -2.01 0.05 0.00 -1.18 0.00 0.00 61.69 58.54 1otu s THR 161 Cb -0.15 -2.67 -0.01 0.00 1.34 0.00 0.00 72.50 71.02 1otu s THR 161 CO -0.04 -0.08 -0.21 0.26 -0.54 0.00 0.00 174.62 174.01 1otu s TRP 162 N -3.39 1.99 -1.06 3.99 0.52 -1.26 -1.41 118.94 118.33 1otu s TRP 162 Ca 0.35 -0.55 0.00 0.00 0.02 0.00 0.00 56.10 55.92 1otu s TRP 162 Cb 0.08 -1.32 0.00 0.00 -1.15 0.00 0.00 33.47 31.08 1otu s TRP 162 CO 0.14 -0.16 0.00 0.09 0.02 0.00 0.00 176.95 177.04 1otu n ASN 163 N 2.98 -3.38 -0.22 2.95 3.02 0.04 0.81 115.26 121.46 1otu n ASN 163 Ca -0.17 0.24 -0.02 0.00 -0.03 0.00 0.00 54.58 54.61 1otu n ASN 163 Cb 0.53 -3.01 -0.00 0.00 -0.61 0.00 0.00 39.78 36.69 1otu n ASN 163 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1otu n SER 164 N -1.18 -1.43 0.00 6.41 7.64 -1.26 -3.40 113.62 120.40 1otu n SER 164 Ca -0.13 -0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.75 1otu n SER 164 Cb 0.51 -0.83 0.00 0.00 -1.01 0.00 0.00 64.21 62.88 1otu n SER 164 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1otu n GLY 165 N -0.97 2.94 0.18 0.23 0.00 0.24 -4.83 105.19 102.98 1otu n GLY 165 Ca -0.02 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.07 1otu n GLY 165 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1otu h SER 166 N 0.00 0.00 -3.60 1.61 4.64 -1.55 -2.92 113.55 111.74 1otu h SER 166 Ca 0.00 0.00 -0.62 0.00 -0.47 0.00 0.00 61.79 60.70 1otu h SER 166 Cb 0.00 0.00 -0.40 0.00 -0.31 0.00 0.00 62.40 61.69 1otu h SER 166 CO 0.00 0.00 -0.72 -0.22 -0.87 0.00 0.00 176.83 175.02 1otu s LEU 167 N -4.18 3.34 -0.02 5.97 2.96 -1.10 -4.94 118.68 120.71 1otu s LEU 167 Ca -0.01 -2.30 0.09 0.00 -0.22 0.00 0.00 54.13 51.69 1otu s LEU 167 Cb 0.04 -1.23 -0.14 0.00 0.50 0.00 0.00 46.19 45.35 1otu s LEU 167 CO 0.11 -0.33 0.19 0.00 -1.32 0.00 0.00 176.35 175.00 1otu n ALA 168 N 4.01 2.31 -2.69 5.97 0.00 -1.11 -4.26 120.51 124.74 1otu n ALA 168 Ca 0.04 -0.24 -0.40 0.00 0.00 0.00 0.00 53.44 52.84 1otu n ALA 168 Cb 0.38 -0.29 -0.05 0.00 0.00 0.00 0.00 19.45 19.49 1otu n ALA 168 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1otu s ALA 169 N -2.61 3.42 0.00 0.00 0.00 -1.26 -3.64 121.76 117.67 1otu s ALA 169 Ca -0.03 0.04 0.00 0.00 0.00 0.00 0.00 51.96 51.96 1otu s ALA 169 Cb 0.06 -3.04 0.00 0.00 0.00 0.00 0.00 23.12 20.14 1otu s ALA 169 CO 0.38 -0.34 0.00 0.41 0.00 0.00 0.00 175.76 176.21 1otu n GLY 170 N 3.33 0.77 3.88 0.00 0.00 -1.26 -4.79 105.19 107.12 1otu n GLY 170 Ca 0.00 -0.45 -0.32 0.00 0.00 0.00 0.00 46.02 45.26 1otu n GLY 170 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1otu s VAL 171 N -2.00 5.21 0.00 1.61 1.01 -1.24 -0.43 120.40 124.56 1otu s VAL 171 Ca 0.00 -0.38 -0.04 0.00 0.00 0.00 0.00 61.98 61.56 1otu s VAL 171 Cb 0.00 -3.49 -0.01 0.00 0.00 0.00 0.00 36.38 32.89 1otu s VAL 171 CO 0.00 0.21 0.06 -1.00 0.00 0.00 0.00 175.10 174.38 1otu s HIS 172 N -1.40 0.11 -0.25 5.22 3.76 0.26 -4.95 115.29 118.04 1otu s HIS 172 Ca 0.31 -0.23 -0.02 0.00 -0.15 0.00 0.00 55.06 54.97 1otu s HIS 172 Cb -0.13 -0.09 0.13 0.00 1.11 0.00 0.00 32.58 33.60 1otu s HIS 172 CO 0.23 -0.21 0.32 0.99 -0.85 0.00 0.00 174.74 175.22 1otu s THR 173 N -1.17 -0.48 0.53 1.30 2.01 -1.26 -0.60 115.64 115.97 1otu s THR 173 Ca -0.13 -0.21 -0.19 0.00 0.31 0.00 0.00 61.69 61.47 1otu s THR 173 Cb -0.07 -0.84 -0.06 0.00 0.01 0.00 0.00 72.50 71.53 1otu s THR 173 CO 0.00 -0.25 1.09 -0.36 -0.69 0.00 0.00 174.62 174.41 1otu s PHE 174 N 2.44 2.80 0.40 4.92 0.08 -0.93 -4.97 117.98 122.72 1otu s PHE 174 Ca 0.10 1.55 -0.27 0.00 0.12 0.00 0.00 56.93 58.43 1otu s PHE 174 Cb -0.15 -3.19 -0.10 0.00 -0.57 0.00 0.00 43.02 39.02 1otu s PHE 174 CO -0.21 -1.29 1.43 -2.14 -0.10 0.00 0.00 175.22 172.91 1otu s PRO 175 N -3.35 3.98 0.39 0.24 0.02 -1.26 -4.57 135.00 130.45 1otu s PRO 175 Ca 0.70 2.44 -0.26 0.00 0.02 0.00 0.00 61.00 63.90 1otu s PRO 175 Cb -0.21 -2.86 -0.09 0.00 0.02 0.00 0.00 34.50 31.37 1otu s PRO 175 CO 0.26 -0.59 1.26 0.00 -0.33 0.00 0.00 177.00 177.60 1otu s ALA 176 N -1.16 3.26 -0.07 -1.55 0.00 -1.26 -4.82 121.76 116.15 1otu s ALA 176 Ca 0.55 1.15 0.01 0.00 0.00 0.00 0.00 51.96 53.68 1otu s ALA 176 Cb -0.44 -3.45 -0.03 0.00 0.00 0.00 0.00 23.12 19.20 1otu s ALA 176 CO 0.58 -0.70 -0.09 0.14 0.00 0.00 0.00 175.76 175.69 1otu s VAL 177 N -1.28 3.53 0.03 0.00 -7.23 -0.63 -4.89 120.40 109.92 1otu s VAL 177 Ca 0.56 -0.54 -0.07 0.00 -1.81 0.00 0.00 61.98 60.12 1otu s VAL 177 Cb -0.36 -2.44 -0.05 0.00 0.56 0.00 0.00 36.38 34.09 1otu s VAL 177 CO 0.46 0.59 0.30 -0.22 -0.31 0.00 0.00 175.10 175.91 1otu s LEU 178 N -0.65 4.36 -0.30 1.32 2.96 -1.26 -1.13 118.68 123.98 1otu s LEU 178 Ca 0.10 0.60 -0.13 0.00 -0.22 0.00 0.00 54.13 54.47 1otu s LEU 178 Cb -0.11 -2.76 0.16 0.00 0.50 0.00 0.00 46.19 43.98 1otu s LEU 178 CO 0.02 0.23 0.93 -1.58 -1.32 0.00 0.00 176.35 174.63 1otu s GLN 179 N -1.84 0.33 -0.92 1.98 0.74 0.76 -4.97 119.66 115.74 1otu s GLN 179 Ca 0.29 0.77 -0.01 0.00 0.05 0.00 0.00 55.36 56.46 1otu s GLN 179 Cb -0.13 0.46 -0.01 0.00 1.10 0.00 0.00 33.01 34.42 1otu s GLN 179 CO 0.17 -0.16 0.78 0.00 -0.55 0.00 0.00 175.29 175.52 1otu n ALA 180 N 5.13 -1.70 -2.91 1.58 0.00 -1.26 -2.68 120.51 118.66 1otu n ALA 180 Ca -0.08 -0.01 -0.17 0.00 0.00 0.00 0.00 53.44 53.17 1otu n ALA 180 Cb 0.52 -2.59 -0.00 0.00 0.00 0.00 0.00 19.45 17.37 1otu n ALA 180 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1otu n ALA 181 N -3.35 -0.94 -3.04 0.00 0.00 -1.26 -4.94 120.51 106.98 1otu n ALA 181 Ca -0.19 0.08 -0.12 0.00 0.00 0.00 0.00 53.44 53.21 1otu n ALA 181 Cb 0.63 -2.07 -0.12 0.00 0.00 0.00 0.00 19.45 17.88 1otu n ALA 181 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1otu s LEU 182 N -6.01 1.46 0.07 0.00 1.43 -1.09 -4.83 118.68 109.71 1otu s LEU 182 Ca 0.20 0.19 -0.00 0.00 -1.03 0.00 0.00 54.13 53.49 1otu s LEU 182 Cb -0.11 0.54 -0.04 0.00 0.03 0.00 0.00 46.19 46.61 1otu s LEU 182 CO 0.25 -0.12 0.23 -0.31 0.23 0.00 0.00 176.35 176.64 1otu s TYR 183 N -0.22 3.51 -0.17 0.29 4.12 0.12 -0.17 117.35 124.83 1otu s TYR 183 Ca -0.03 0.28 -0.07 0.00 0.02 0.00 0.00 57.07 57.27 1otu s TYR 183 Cb -0.02 -1.79 0.07 0.00 -1.52 0.00 0.00 41.96 38.70 1otu s TYR 183 CO 0.00 0.57 0.38 0.99 0.02 0.00 0.00 175.55 177.51 1otu s THR 184 N -1.54 -0.37 0.05 -0.71 2.01 -0.28 -0.84 115.64 113.96 1otu s THR 184 Ca 0.36 0.16 -0.07 0.00 0.31 0.00 0.00 61.69 62.45 1otu s THR 184 Cb -0.13 -0.60 -0.01 0.00 0.01 0.00 0.00 72.50 71.78 1otu s THR 184 CO 0.28 0.07 0.13 -1.48 -0.69 0.00 0.00 174.62 172.92 1otu s LEU 185 N 2.10 1.69 0.13 4.42 0.05 0.12 -1.61 118.68 125.59 1otu s LEU 185 Ca -0.04 -0.57 0.09 0.00 0.05 0.00 0.00 54.13 53.65 1otu s LEU 185 Cb -0.11 0.74 -0.04 0.00 -2.05 0.00 0.00 46.19 44.73 1otu s LEU 185 CO -0.12 -0.58 -0.21 -0.94 -0.55 0.00 0.00 176.35 173.95 1otu s SER 186 N -2.37 2.75 -0.15 1.48 1.04 -1.26 0.32 113.70 115.51 1otu s SER 186 Ca -0.01 -0.76 0.02 0.00 0.48 0.00 0.00 55.95 55.67 1otu s SER 186 Cb 0.01 -0.16 0.01 0.00 0.10 0.00 0.00 66.02 65.98 1otu s SER 186 CO -0.06 0.05 -0.20 -0.55 0.98 0.00 0.00 173.24 173.45 1otu s SER 187 N -2.21 3.04 0.07 7.02 0.15 -0.07 -2.18 113.70 119.52 1otu s SER 187 Ca 0.11 -0.60 -0.07 0.00 0.70 0.00 0.00 55.95 56.09 1otu s SER 187 Cb -0.09 -1.41 -0.05 0.00 -1.71 0.00 0.00 66.02 62.76 1otu s SER 187 CO 0.06 0.04 0.35 -0.55 1.20 0.00 0.00 173.24 174.33 1otu s SER 188 N 1.04 6.56 -0.28 5.45 0.15 0.23 -1.74 113.70 125.10 1otu s SER 188 Ca -0.02 0.66 0.02 0.00 0.70 0.00 0.00 55.95 57.31 1otu s SER 188 Cb -0.14 -2.13 0.17 0.00 -1.71 0.00 0.00 66.02 62.21 1otu s SER 188 CO -0.06 0.17 0.47 0.54 1.20 0.00 0.00 173.24 175.56 1otu s VAL 189 N -1.42 -0.76 -0.19 4.45 0.11 -1.19 0.92 120.40 122.32 1otu s VAL 189 Ca 0.33 -0.16 -0.22 0.00 -2.93 0.00 0.00 61.98 59.01 1otu s VAL 189 Cb -0.13 -0.97 -0.02 0.00 -1.53 0.00 0.00 36.38 33.73 1otu s VAL 189 CO 0.19 -0.16 0.66 -0.89 -3.33 0.00 0.00 175.10 171.58 1otu s THR 190 N 2.65 5.00 0.22 5.04 2.01 0.43 -2.39 115.64 128.60 1otu s THR 190 Ca 0.11 1.26 0.04 0.00 0.31 0.00 0.00 61.69 63.42 1otu s THR 190 Cb -0.13 -3.98 -0.05 0.00 0.01 0.00 0.00 72.50 68.36 1otu s THR 190 CO -0.26 0.09 -0.03 0.68 -0.69 0.00 0.00 174.62 174.41 1otu s VAL 191 N 1.97 1.15 0.06 3.82 -7.23 -0.50 -4.63 120.40 115.04 1otu s VAL 191 Ca 0.30 -2.05 -0.31 0.00 -1.81 0.00 0.00 61.98 58.11 1otu s VAL 191 Cb -0.16 -2.27 -0.07 0.00 0.56 0.00 0.00 36.38 34.44 1otu s VAL 191 CO 0.11 -0.40 1.50 -2.84 -0.31 0.00 0.00 175.10 173.15 1otu s PRO 192 N -3.82 4.26 0.25 4.82 0.02 -1.26 0.14 135.00 139.40 1otu s PRO 192 Ca 0.26 2.15 -0.07 0.00 0.02 0.00 0.00 61.00 63.36 1otu s PRO 192 Cb 0.05 -3.48 0.46 0.00 0.02 0.00 0.00 34.50 31.55 1otu s PRO 192 CO 0.08 -0.60 1.62 0.66 -0.33 0.00 0.00 177.00 178.42 1otu h SER 193 N 7.69 -0.46 0.09 2.53 4.64 -1.45 1.07 113.55 127.66 1otu h SER 193 Ca -0.41 0.22 0.00 0.00 -0.47 0.00 0.00 61.79 61.13 1otu h SER 193 Cb 1.19 0.40 0.00 0.00 -0.31 0.00 0.00 62.40 63.69 1otu h SER 193 CO 0.90 -0.22 0.00 -1.54 -0.87 0.00 0.00 176.83 175.10 1otu n SER 194 N -5.41 0.00 -0.03 4.97 3.41 -1.26 -1.39 113.62 113.91 1otu n SER 194 Ca 0.14 0.30 0.04 0.00 -0.26 0.00 0.00 58.87 59.10 1otu n SER 194 Cb 0.50 -0.34 -0.14 0.00 -0.26 0.00 0.00 64.21 63.96 1otu n SER 194 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1otu n SER 195 N -1.34 0.87 0.00 4.04 2.88 0.37 -4.75 113.62 115.69 1otu n SER 195 Ca 0.02 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.56 1otu n SER 195 Cb 0.03 1.57 0.00 0.00 -0.75 0.00 0.00 64.21 65.07 1otu n SER 195 CO 0.00 0.00 0.00 1.87 -1.23 0.00 0.00 175.04 175.68 1otu n TRP 196 N -2.26 0.00 -0.29 0.66 -0.00 -0.49 -3.15 117.44 111.91 1otu n TRP 196 Ca -0.10 0.00 0.11 0.00 -0.00 0.00 0.00 57.50 57.51 1otu n TRP 196 Cb 0.63 0.00 0.21 0.00 -0.00 0.00 0.00 31.31 32.15 1otu n TRP 196 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 177.69 175.39 1otu n PRO 197 N -0.69 -0.07 -0.14 5.87 -0.02 -1.26 0.98 135.00 139.68 1otu n PRO 197 Ca 0.00 1.25 0.08 0.00 -2.02 0.00 0.00 63.50 62.81 1otu n PRO 197 Cb 0.00 -1.96 0.40 0.00 -0.02 0.00 0.00 33.50 31.92 1otu n PRO 197 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1otu h SER 198 N 0.00 0.56 -2.51 2.55 4.64 -1.84 -3.44 113.55 113.50 1otu h SER 198 Ca 0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.80 1otu h SER 198 Cb 0.93 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.91 1otu h SER 198 CO -0.80 0.36 0.00 -0.62 -0.87 0.00 0.00 176.83 174.90 1otu n GLU 199 N -4.48 2.49 -3.97 4.77 1.02 0.28 -5.12 120.64 115.62 1otu n GLU 199 Ca 0.10 0.00 -0.34 0.00 -0.02 0.00 0.00 57.16 56.90 1otu n GLU 199 Cb 0.26 0.00 -0.14 0.00 -0.02 0.00 0.00 31.44 31.53 1otu n GLU 199 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1otu s THR 200 N 0.96 2.79 -0.42 2.62 2.01 -1.26 -4.90 115.64 117.44 1otu s THR 200 Ca 0.00 -1.09 -0.10 0.00 0.31 0.00 0.00 61.69 60.81 1otu s THR 200 Cb 0.00 -2.43 0.07 0.00 0.01 0.00 0.00 72.50 70.15 1otu s THR 200 CO 0.00 0.18 0.26 -0.69 -0.69 0.00 0.00 174.62 173.68 1otu s VAL 201 N 1.30 4.36 -0.05 3.82 1.01 -1.26 -4.94 120.40 124.64 1otu s VAL 201 Ca -0.01 -1.29 0.02 0.00 0.00 0.00 0.00 61.98 60.71 1otu s VAL 201 Cb -0.17 -3.63 -0.03 0.00 0.00 0.00 0.00 36.38 32.56 1otu s VAL 201 CO -0.05 -0.47 -0.10 -0.89 0.00 0.00 0.00 175.10 173.60 1otu s THR 202 N 1.46 3.46 -0.17 3.92 2.01 -1.26 -1.26 115.64 123.80 1otu s THR 202 Ca 0.03 -0.63 -0.01 0.00 0.31 0.00 0.00 61.69 61.38 1otu s THR 202 Cb -0.23 -2.41 -0.01 0.00 0.01 0.00 0.00 72.50 69.87 1otu s THR 202 CO 0.03 0.55 -0.11 0.00 -0.69 0.00 0.00 174.62 174.40 1otu s ASN 204 N 0.97 5.08 -0.01 0.00 -0.87 -0.50 -0.60 114.94 119.01 1otu s ASN 204 Ca -0.02 -0.80 0.01 0.00 -1.57 0.00 0.00 52.86 50.48 1otu s ASN 204 Cb -0.15 -1.86 -0.04 0.00 -0.02 0.00 0.00 41.25 39.19 1otu s ASN 204 CO -0.01 -0.21 0.02 -0.69 -2.57 0.00 0.00 177.10 173.63 1otu s VAL 205 N 1.47 4.27 -0.01 1.60 1.01 0.69 -2.36 120.40 127.06 1otu s VAL 205 Ca 0.02 -0.55 0.01 0.00 0.00 0.00 0.00 61.98 61.45 1otu s VAL 205 Cb -0.18 -2.91 0.01 0.00 0.00 0.00 0.00 36.38 33.31 1otu s VAL 205 CO 0.02 0.38 -0.02 0.00 0.00 0.00 0.00 175.10 175.48 1otu s ALA 206 N -1.10 0.29 -0.37 5.51 0.00 -0.94 -0.66 121.76 124.50 1otu s ALA 206 Ca 0.20 -0.01 0.01 0.00 0.00 0.00 0.00 51.96 52.16 1otu s ALA 206 Cb -0.12 -0.18 0.12 0.00 0.00 0.00 0.00 23.12 22.95 1otu s ALA 206 CO 0.11 0.01 0.16 -1.58 0.00 0.00 0.00 175.76 174.46 1otu s HIS 207 N 0.39 1.86 0.10 0.00 2.46 0.08 -1.53 115.29 118.65 1otu s HIS 207 Ca -0.04 -2.08 -0.31 0.00 0.47 0.00 0.00 55.06 53.10 1otu s HIS 207 Cb -0.07 -1.80 -0.12 0.00 -0.13 0.00 0.00 32.58 30.46 1otu s HIS 207 CO -0.01 -0.84 1.51 -1.35 -2.47 0.00 0.00 174.74 171.58 1otu h PRO 208 N 7.42 -0.57 -0.34 2.88 0.11 -1.78 0.56 132.00 140.28 1otu h PRO 208 Ca -0.07 0.04 0.04 0.00 0.11 0.00 0.00 66.00 66.12 1otu h PRO 208 Cb 0.97 0.13 -0.06 0.00 0.11 0.00 0.00 31.00 32.15 1otu h PRO 208 CO 0.47 -0.38 -0.41 0.00 -0.21 0.00 0.00 178.00 177.46 1otu h ALA 209 N -0.47 -0.63 0.00 -0.75 0.00 -1.91 0.87 119.26 116.37 1otu h ALA 209 Ca 0.02 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1otu h ALA 209 Cb 0.65 1.04 0.00 0.00 0.00 0.00 0.00 17.79 19.48 1otu h ALA 209 CO -0.36 -0.84 0.07 1.03 0.00 0.00 0.00 179.25 179.16 1otu h SER 210 N -0.26 0.00 -4.39 0.00 0.87 -1.82 -3.45 113.55 104.49 1otu h SER 210 Ca 0.06 0.00 -0.33 0.00 -1.23 0.00 0.00 61.79 60.29 1otu h SER 210 Cb 0.42 0.00 0.09 0.00 -0.44 0.00 0.00 62.40 62.47 1otu h SER 210 CO -0.46 0.00 -0.53 -0.24 -0.53 0.00 0.00 176.83 175.07 1otu n SER 211 N -2.48 -5.46 -4.30 6.23 2.88 0.30 -4.83 113.62 105.96 1otu n SER 211 Ca -0.02 -0.35 -0.19 0.00 -1.33 0.00 0.00 58.87 56.99 1otu n SER 211 Cb 0.12 -4.17 -0.11 0.00 -0.75 0.00 0.00 64.21 59.30 1otu n SER 211 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 1otu s THR 212 N -3.17 1.59 -0.06 2.46 -4.23 -0.35 -4.99 115.64 106.89 1otu s THR 212 Ca 0.37 -1.99 -0.04 0.00 -1.18 0.00 0.00 61.69 58.86 1otu s THR 212 Cb -0.16 -1.83 0.03 0.00 1.34 0.00 0.00 72.50 71.87 1otu s THR 212 CO 0.46 -0.49 0.14 -0.54 -0.54 0.00 0.00 174.62 173.65 1otu s LYS 213 N -3.17 0.12 -0.03 3.99 1.02 -1.26 -0.74 119.74 119.67 1otu s LYS 213 Ca 0.16 0.29 -0.05 0.00 0.02 0.00 0.00 55.97 56.40 1otu s LYS 213 Cb -0.03 -0.06 0.01 0.00 -0.52 0.00 0.00 37.83 37.23 1otu s LYS 213 CO 0.05 -0.10 0.12 0.14 -0.92 0.00 0.00 175.35 174.64 1otu s VAL 214 N 0.68 0.03 -0.32 3.17 -7.23 0.16 -5.01 120.40 111.88 1otu s VAL 214 Ca -0.05 -0.23 0.02 0.00 -1.81 0.00 0.00 61.98 59.91 1otu s VAL 214 Cb -0.07 -0.25 0.08 0.00 0.56 0.00 0.00 36.38 36.70 1otu s VAL 214 CO -0.03 -0.13 0.01 -1.81 -0.31 0.00 0.00 175.10 172.83 1otu s ASP 215 N -0.38 4.73 -0.21 4.85 1.01 -1.26 -0.22 116.67 125.19 1otu s ASP 215 Ca -0.05 -1.79 -0.15 0.00 0.71 0.00 0.00 52.55 51.27 1otu s ASP 215 Cb -0.03 -1.64 -0.04 0.00 1.01 0.00 0.00 42.92 42.22 1otu s ASP 215 CO 0.00 -0.32 0.38 -0.75 0.21 0.00 0.00 175.17 174.70 1otu s LYS 216 N 1.04 4.16 -0.44 8.23 2.47 0.23 -4.89 119.74 130.53 1otu s LYS 216 Ca 0.02 0.16 -0.23 0.00 -1.56 0.00 0.00 55.97 54.36 1otu s LYS 216 Cb -0.20 -3.55 0.02 0.00 -1.46 0.00 0.00 37.83 32.65 1otu s LYS 216 CO -0.06 -0.05 0.78 0.21 0.16 0.00 0.00 175.35 176.40 1otu s LYS 217 N 1.35 3.45 -0.45 4.03 2.20 -1.26 -0.96 119.74 128.10 1otu s LYS 217 Ca 0.18 -0.05 -0.28 0.00 -0.36 0.00 0.00 55.97 55.46 1otu s LYS 217 Cb -0.15 -3.92 -0.01 0.00 -1.51 0.00 0.00 37.83 32.24 1otu s LYS 217 CO 0.08 -1.08 1.69 0.42 -0.36 0.00 0.00 175.35 176.09 1otu s ILE 218 N 3.27 3.57 0.01 5.43 -1.09 -0.39 -4.96 121.20 127.04 1otu s ILE 218 Ca 0.30 0.53 0.04 0.00 -2.23 0.00 0.00 60.65 59.29 1otu s ILE 218 Cb -0.12 -3.93 -0.03 0.00 -1.58 0.00 0.00 42.46 36.79 1otu s ILE 218 CO 0.22 -0.70 -0.10 0.68 -1.23 0.00 0.00 174.94 173.81 1otu s VAL 219 N 7.03 3.38 0.59 2.92 -7.23 -1.26 -4.58 120.40 121.26 1otu s VAL 219 Ca 0.69 -0.87 -0.18 0.00 -1.81 0.00 0.00 61.98 59.82 1otu s VAL 219 Cb -0.17 -2.45 -0.06 0.00 0.56 0.00 0.00 36.38 34.26 1otu s VAL 219 CO 0.29 0.40 0.76 -0.81 -0.31 0.00 0.00 175.10 175.43 1otu n PRO 220 N 1.63 0.69 -1.78 4.82 -0.04 -1.26 -4.73 135.00 134.34 1otu n PRO 220 Ca -0.16 0.27 -0.29 0.00 -0.04 0.00 0.00 63.50 63.28 1otu n PRO 220 Cb 0.52 -1.95 -0.07 0.00 -0.04 0.00 0.00 33.50 31.96 1otu n PRO 220 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1otu n ARG 221 N -0.61 1.31 0.00 0.54 1.74 -1.26 -5.09 116.66 113.28 1otu n ARG 221 Ca 0.13 -2.20 0.07 0.00 -0.77 0.00 0.00 57.85 55.08 1otu n ARG 221 Cb 0.48 -3.58 0.40 0.00 -1.02 0.00 0.00 32.46 28.74 1otu n ARG 221 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11