#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mjf s PHE 4 N 0.00 3.70 -0.03 0.00 2.19 0.26 -4.90 117.98 119.20 1mjf s PHE 4 Ca 0.00 1.10 0.02 0.00 0.33 0.00 0.00 56.93 58.38 1mjf s PHE 4 Cb 0.00 -2.47 0.01 0.00 -1.31 0.00 0.00 43.02 39.25 1mjf s PHE 4 CO 0.00 0.47 -0.06 0.42 1.83 0.00 0.00 175.22 177.87 1mjf s ILE 5 N -0.55 0.63 -0.25 3.12 1.01 -1.26 -0.91 121.20 122.99 1mjf s ILE 5 Ca 0.27 -0.23 -0.08 0.00 0.00 0.00 0.00 60.65 60.61 1mjf s ILE 5 Cb -0.18 -0.60 -0.04 0.00 0.01 0.00 0.00 42.46 41.66 1mjf s ILE 5 CO 0.15 0.22 0.10 -0.70 0.00 0.00 0.00 174.94 174.71 1mjf s GLU 6 N 0.50 3.78 0.04 2.79 2.12 -0.55 -4.98 118.70 122.41 1mjf s GLU 6 Ca -0.07 -0.42 -0.13 0.00 0.36 0.00 0.00 54.97 54.71 1mjf s GLU 6 Cb -0.11 -3.40 -0.06 0.00 0.26 0.00 0.00 34.13 30.83 1mjf s GLU 6 CO 0.00 -0.12 0.42 -1.58 -0.54 0.00 0.00 175.26 173.45 1mjf s TRP 7 N 1.47 3.66 0.41 5.30 0.52 -1.26 -1.68 118.94 127.37 1mjf s TRP 7 Ca 0.06 0.92 0.06 0.00 0.02 0.00 0.00 56.10 57.16 1mjf s TRP 7 Cb -0.15 -2.25 -0.07 0.00 -1.15 0.00 0.00 33.47 29.85 1mjf s TRP 7 CO 0.05 0.58 0.02 0.71 0.02 0.00 0.00 176.95 178.32 1mjf s TYR 8 N -1.24 2.37 0.38 -1.98 1.51 0.93 -5.00 117.35 114.32 1mjf s TYR 8 Ca 0.29 -0.74 -0.25 0.00 -1.01 0.00 0.00 57.07 55.35 1mjf s TYR 8 Cb -0.15 -1.70 -0.12 0.00 -0.11 0.00 0.00 41.96 39.88 1mjf s TYR 8 CO 0.16 0.37 0.86 -2.30 -1.11 0.00 0.00 175.55 173.52 1mjf n PRO 9 N -0.97 1.07 -1.16 -1.71 -0.02 -1.26 -2.48 135.00 128.46 1mjf n PRO 9 Ca -0.06 0.38 -0.06 0.00 -2.02 0.00 0.00 63.50 61.74 1mjf n PRO 9 Cb 0.67 -1.80 -0.02 0.00 -0.02 0.00 0.00 33.50 32.32 1mjf n PRO 9 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1mjf n ARG 10 N 0.43 -0.64 -2.33 -0.52 1.74 -1.26 -3.60 116.66 110.48 1mjf n ARG 10 Ca 0.10 0.60 -0.09 0.00 -0.77 0.00 0.00 57.85 57.70 1mjf n ARG 10 Cb 0.37 -4.36 0.00 0.00 -1.02 0.00 0.00 32.46 27.45 1mjf n ARG 10 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1mjf n GLY 11 N -1.81 0.10 3.83 -0.13 0.00 -1.04 -5.04 105.19 101.12 1mjf n GLY 11 Ca -0.06 -0.49 -0.38 0.00 0.00 0.00 0.00 46.02 45.10 1mjf n GLY 11 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1mjf s TYR 12 N -2.57 3.73 -0.01 1.61 5.04 -1.21 -4.93 117.35 119.01 1mjf s TYR 12 Ca 0.05 1.03 0.02 0.00 -2.44 0.00 0.00 57.07 55.74 1mjf s TYR 12 Cb -0.02 -2.32 -0.00 0.00 0.35 0.00 0.00 41.96 39.97 1mjf s TYR 12 CO 0.06 0.63 -0.08 0.20 -1.34 0.00 0.00 175.55 175.02 1mjf s GLY 13 N -1.13 0.42 -0.25 8.97 0.00 -1.26 -0.05 107.32 114.02 1mjf s GLY 13 Ca 0.25 -0.33 -0.09 0.00 0.00 0.00 0.00 44.72 44.55 1mjf s GLY 13 CO 0.15 -0.22 0.12 0.14 0.00 0.00 0.00 173.10 173.29 1mjf s VAL 14 N -0.07 4.85 0.04 1.40 1.01 -0.67 -4.97 120.40 121.99 1mjf s VAL 14 Ca 0.01 0.01 0.08 0.00 0.00 0.00 0.00 61.98 62.08 1mjf s VAL 14 Cb -0.05 -3.28 -0.03 0.00 0.00 0.00 0.00 36.38 33.03 1mjf s VAL 14 CO -0.00 0.32 -0.22 0.00 0.00 0.00 0.00 175.10 175.20 1mjf s ALA 15 N 1.45 1.87 -0.05 5.51 0.00 -1.26 -1.48 121.76 127.80 1mjf s ALA 15 Ca 0.06 -1.11 0.01 0.00 0.00 0.00 0.00 51.96 50.92 1mjf s ALA 15 Cb -0.15 -0.37 0.02 0.00 0.00 0.00 0.00 23.12 22.62 1mjf s ALA 15 CO 0.06 0.43 -0.04 -0.06 0.00 0.00 0.00 175.76 176.14 1mjf s PHE 16 N -0.80 0.82 0.24 0.00 0.08 -0.09 -5.00 117.98 113.23 1mjf s PHE 16 Ca 0.08 -0.25 -0.31 0.00 0.12 0.00 0.00 56.93 56.57 1mjf s PHE 16 Cb -0.09 -0.75 -0.11 0.00 -0.57 0.00 0.00 43.02 41.50 1mjf s PHE 16 CO 0.02 -0.24 1.63 0.15 -0.10 0.00 0.00 175.22 176.68 1mjf s LYS 17 N 1.12 4.14 0.13 0.44 1.02 -1.26 -0.58 119.74 124.75 1mjf s LYS 17 Ca -0.08 2.54 0.10 0.00 0.02 0.00 0.00 55.97 58.55 1mjf s LYS 17 Cb -0.14 -3.06 -0.04 0.00 -0.52 0.00 0.00 37.83 34.07 1mjf s LYS 17 CO -0.01 -0.66 -0.24 0.96 -0.92 0.00 0.00 175.35 174.48 1mjf s ILE 18 N 0.58 2.04 -0.14 2.17 -4.36 -1.26 -1.23 121.20 119.01 1mjf s ILE 18 Ca 0.68 -1.72 -0.24 0.00 -0.26 0.00 0.00 60.65 59.11 1mjf s ILE 18 Cb -0.48 -1.84 -0.21 0.00 1.25 0.00 0.00 42.46 41.18 1mjf s ILE 18 CO 0.40 -0.02 0.61 0.11 0.24 0.00 0.00 174.94 176.28 1mjf h LYS 19 N 3.83 0.00 -2.36 0.37 1.57 -1.01 -3.42 116.57 115.54 1mjf h LYS 19 Ca -0.48 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.25 1mjf h LYS 19 Cb 1.18 0.00 -0.17 0.00 0.08 0.00 0.00 32.23 33.32 1mjf h LYS 19 CO 0.41 0.82 0.17 0.15 -0.57 0.00 0.00 179.45 180.43 1mjf s LYS 20 N -2.11 1.10 -0.17 3.15 1.02 -1.19 -5.04 119.74 116.50 1mjf s LYS 20 Ca -0.16 0.01 -0.22 0.00 0.02 0.00 0.00 55.97 55.62 1mjf s LYS 20 Cb -0.02 0.52 -0.02 0.00 -0.52 0.00 0.00 37.83 37.78 1mjf s LYS 20 CO 0.56 -0.39 0.69 0.21 -0.92 0.00 0.00 175.35 175.50 1mjf s LYS 21 N -1.98 4.26 0.00 1.68 2.20 -1.26 -0.68 119.74 123.96 1mjf s LYS 21 Ca -0.07 0.75 0.14 0.00 -0.36 0.00 0.00 55.97 56.42 1mjf s LYS 21 Cb -0.00 -3.56 -0.11 0.00 -1.51 0.00 0.00 37.83 32.64 1mjf s LYS 21 CO 0.03 -0.22 0.62 0.44 -0.36 0.00 0.00 175.35 175.86 1mjf n ILE 22 N 4.58 0.00 -3.68 5.43 -5.35 -0.27 -4.96 119.36 115.11 1mjf n ILE 22 Ca 0.00 -0.22 -0.14 0.00 -0.27 0.00 0.00 62.75 62.12 1mjf n ILE 22 Cb 0.50 1.04 -0.08 0.00 -1.74 0.00 0.00 39.64 39.35 1mjf n ILE 22 CO 0.00 0.00 0.00 -0.47 -1.76 0.00 0.00 176.55 174.32 1mjf s TYR 23 N -2.14 -0.51 -0.27 4.28 5.04 -0.97 -4.95 117.35 117.83 1mjf s TYR 23 Ca 0.07 1.16 -0.11 0.00 -2.44 0.00 0.00 57.07 55.74 1mjf s TYR 23 Cb 0.10 0.21 0.11 0.00 0.35 0.00 0.00 41.96 42.73 1mjf s TYR 23 CO 0.50 -0.34 0.62 -2.00 -1.34 0.00 0.00 175.55 172.99 1mjf s GLU 24 N -0.22 0.57 -0.13 4.97 2.12 -1.26 -1.92 118.70 122.84 1mjf s GLU 24 Ca -0.04 1.31 -0.08 0.00 0.36 0.00 0.00 54.97 56.52 1mjf s GLU 24 Cb -0.03 0.57 0.04 0.00 0.26 0.00 0.00 34.13 34.97 1mjf s GLU 24 CO 0.03 -0.19 0.31 0.21 -0.54 0.00 0.00 175.26 175.08 1mjf s LYS 25 N 2.45 0.31 -0.47 4.30 2.20 -0.29 -5.01 119.74 123.23 1mjf s LYS 25 Ca -0.07 0.57 -0.24 0.00 -0.36 0.00 0.00 55.97 55.87 1mjf s LYS 25 Cb -0.10 0.01 0.03 0.00 -1.51 0.00 0.00 37.83 36.26 1mjf s LYS 25 CO -0.18 -0.12 0.84 -1.17 -0.36 0.00 0.00 175.35 174.36 1mjf s LEU 26 N 0.90 4.20 0.00 5.43 2.96 -1.26 -0.91 118.68 130.00 1mjf s LEU 26 Ca -0.06 -0.12 -0.07 0.00 -0.22 0.00 0.00 54.13 53.65 1mjf s LEU 26 Cb -0.07 -2.98 0.11 0.00 0.50 0.00 0.00 46.19 43.76 1mjf s LEU 26 CO -0.06 -1.00 0.69 -1.54 -1.32 0.00 0.00 176.35 173.12 1mjf n SER 27 N 6.92 0.18 0.10 3.68 3.41 -0.47 -4.96 113.62 122.49 1mjf n SER 27 Ca 0.03 -1.33 0.10 0.00 -0.26 0.00 0.00 58.87 57.41 1mjf n SER 27 Cb 0.48 -0.51 0.43 0.00 -0.26 0.00 0.00 64.21 64.34 1mjf n SER 27 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 1mjf n LYS 28 N -2.43 0.12 -0.00 4.33 0.00 -1.26 -3.85 118.16 115.08 1mjf n LYS 28 Ca 0.09 0.44 -0.00 0.00 -0.00 0.00 0.00 58.31 58.84 1mjf n LYS 28 Cb 0.31 -1.78 -0.00 0.00 -0.00 0.00 0.00 35.03 33.56 1mjf n LYS 28 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1mjf n TYR 29 N -2.02 0.00 -3.69 5.58 4.01 -1.26 -5.13 117.16 114.65 1mjf n TYR 29 Ca 0.01 0.00 -0.01 0.00 -0.16 0.00 0.00 57.90 57.74 1mjf n TYR 29 Cb 0.15 -0.01 -0.01 0.00 -0.31 0.00 0.00 39.34 39.16 1mjf n TYR 29 CO 0.00 0.00 0.00 1.14 -0.46 0.00 0.00 176.86 177.54 1mjf s GLN 30 N -2.01 0.81 -0.34 -0.72 -2.07 -1.25 -5.09 119.66 109.00 1mjf s GLN 30 Ca -0.00 -0.45 -0.19 0.00 -1.82 0.00 0.00 55.36 52.90 1mjf s GLN 30 Cb 0.00 0.28 -0.01 0.00 -1.09 0.00 0.00 33.01 32.19 1mjf s GLN 30 CO 0.01 -0.37 0.56 0.21 -1.32 0.00 0.00 175.29 174.38 1mjf s LYS 31 N -2.87 3.72 -0.26 9.60 2.36 -1.26 -1.36 119.74 129.66 1mjf s LYS 31 Ca 0.13 0.00 -0.11 0.00 -2.55 0.00 0.00 55.97 53.45 1mjf s LYS 31 Cb 0.02 -3.78 -0.05 0.00 -1.05 0.00 0.00 37.83 32.96 1mjf s LYS 31 CO -0.01 -0.63 0.17 0.42 1.55 0.00 0.00 175.35 176.85 1mjf s ILE 32 N 2.50 5.32 0.04 5.43 1.01 -0.09 -1.26 121.20 134.15 1mjf s ILE 32 Ca 0.21 0.17 0.06 0.00 0.00 0.00 0.00 60.65 61.10 1mjf s ILE 32 Cb -0.15 -3.51 -0.02 0.00 0.01 0.00 0.00 42.46 38.79 1mjf s ILE 32 CO 0.13 0.30 -0.18 -1.61 0.00 0.00 0.00 174.94 173.59 1mjf s GLU 33 N 1.37 1.18 -0.07 2.79 2.02 -0.57 -1.14 118.70 124.27 1mjf s GLU 33 Ca 0.07 -0.86 0.03 0.00 0.02 0.00 0.00 54.97 54.23 1mjf s GLU 33 Cb -0.15 -1.25 0.01 0.00 0.10 0.00 0.00 34.13 32.84 1mjf s GLU 33 CO 0.07 0.31 -0.16 0.08 0.02 0.00 0.00 175.26 175.59 1mjf s VAL 34 N -0.83 1.41 0.07 2.63 1.01 -0.81 -1.34 120.40 122.54 1mjf s VAL 34 Ca 0.05 -0.64 0.07 0.00 0.00 0.00 0.00 61.98 61.46 1mjf s VAL 34 Cb -0.08 -1.26 -0.04 0.00 0.00 0.00 0.00 36.38 35.00 1mjf s VAL 34 CO 0.02 0.42 -0.16 -0.31 0.00 0.00 0.00 175.10 175.06 1mjf s TYR 35 N 0.56 2.60 -0.41 5.22 1.51 -0.36 -1.12 117.35 125.35 1mjf s TYR 35 Ca -0.16 -0.23 -0.19 0.00 -1.01 0.00 0.00 57.07 55.48 1mjf s TYR 35 Cb -0.16 -1.43 0.01 0.00 -0.11 0.00 0.00 41.96 40.27 1mjf s TYR 35 CO 0.05 0.32 0.57 -2.00 -1.11 0.00 0.00 175.55 173.39 1mjf s GLU 36 N -1.75 3.37 0.66 -0.62 2.56 0.15 -0.83 118.70 122.24 1mjf s GLU 36 Ca 0.17 -0.35 -0.09 0.00 0.00 0.00 0.00 54.97 54.70 1mjf s GLU 36 Cb -0.11 -3.90 0.01 0.00 2.00 0.00 0.00 34.13 32.13 1mjf s GLU 36 CO 0.08 -0.86 1.02 0.95 -0.56 0.00 0.00 175.26 175.89 1mjf s THR 37 N 2.58 3.49 0.07 -1.70 -4.23 -0.17 -0.48 115.64 115.20 1mjf s THR 37 Ca 0.20 0.27 -0.17 0.00 -1.18 0.00 0.00 61.69 60.81 1mjf s THR 37 Cb -0.15 -3.45 -0.12 0.00 1.34 0.00 0.00 72.50 70.12 1mjf s THR 37 CO 0.16 -0.54 1.36 -0.33 -0.54 0.00 0.00 174.62 174.73 1mjf h GLU 38 N -0.48 0.58 0.00 3.99 5.08 -1.45 -3.40 114.58 118.89 1mjf h GLU 38 Ca -0.45 -0.34 0.00 0.00 -1.00 0.00 0.00 59.36 57.57 1mjf h GLU 38 Cb 1.26 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.54 1mjf h GLU 38 CO 0.63 0.94 0.00 0.41 -1.00 0.00 0.00 179.01 179.99 1mjf n GLY 39 N 0.29 -0.45 0.20 -3.84 0.00 -1.26 -4.78 105.19 95.34 1mjf n GLY 39 Ca -0.05 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.04 1mjf n GLY 39 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1mjf n PHE 40 N -0.02 0.00 -4.27 1.61 3.01 -1.26 -4.99 117.46 111.53 1mjf n PHE 40 Ca 0.00 -0.73 0.00 0.00 1.01 0.00 0.00 57.45 57.73 1mjf n PHE 40 Cb 0.11 -0.12 0.00 0.00 -0.01 0.00 0.00 39.48 39.46 1mjf n PHE 40 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1mjf n GLY 41 N -1.04 0.67 3.85 1.37 0.00 -1.26 -2.05 105.19 106.72 1mjf n GLY 41 Ca 0.12 -0.85 -0.36 0.00 0.00 0.00 0.00 46.02 44.92 1mjf n GLY 41 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1mjf s ARG 42 N 0.00 3.86 -0.15 1.61 0.52 -1.26 -1.00 118.95 122.52 1mjf s ARG 42 Ca 0.00 0.32 -0.01 0.00 -0.52 0.00 0.00 55.73 55.52 1mjf s ARG 42 Cb 0.00 -3.07 -0.01 0.00 0.52 0.00 0.00 34.95 32.39 1mjf s ARG 42 CO 0.00 0.59 -0.11 -1.17 0.02 0.00 0.00 175.30 174.64 1mjf s LEU 43 N -1.62 2.81 -0.22 2.53 0.20 -0.01 -1.27 118.68 121.10 1mjf s LEU 43 Ca 0.31 -0.31 -0.06 0.00 0.69 0.00 0.00 54.13 54.75 1mjf s LEU 43 Cb -0.15 -1.65 -0.03 0.00 -0.43 0.00 0.00 46.19 43.93 1mjf s LEU 43 CO 0.17 0.14 0.04 -0.22 -0.29 0.00 0.00 176.35 176.18 1mjf s LEU 44 N 0.53 3.40 0.02 -0.68 2.96 -0.77 -1.23 118.68 122.91 1mjf s LEU 44 Ca -0.07 -0.17 0.08 0.00 -0.22 0.00 0.00 54.13 53.75 1mjf s LEU 44 Cb -0.15 -1.89 -0.02 0.00 0.50 0.00 0.00 46.19 44.63 1mjf s LEU 44 CO 0.04 0.03 -0.25 0.00 -1.32 0.00 0.00 176.35 174.85 1mjf s ALA 45 N 1.21 2.12 -0.18 5.97 0.00 -0.45 -0.16 121.76 130.27 1mjf s ALA 45 Ca 0.04 -1.16 0.01 0.00 0.00 0.00 0.00 51.96 50.84 1mjf s ALA 45 Cb -0.14 -0.48 0.04 0.00 0.00 0.00 0.00 23.12 22.53 1mjf s ALA 45 CO 0.02 0.51 -0.11 -0.51 0.00 0.00 0.00 175.76 175.67 1mjf s LEU 46 N -0.97 2.02 -1.51 0.00 1.43 -0.38 -1.52 118.68 117.76 1mjf s LEU 46 Ca 0.10 -0.73 -0.13 0.00 -1.03 0.00 0.00 54.13 52.34 1mjf s LEU 46 Cb -0.10 -1.19 0.08 0.00 0.03 0.00 0.00 46.19 45.01 1mjf s LEU 46 CO 0.01 -0.12 1.02 0.47 0.23 0.00 0.00 176.35 177.96 1mjf n ASP 47 N 4.73 -5.09 0.00 2.29 8.00 -0.39 -2.12 116.55 123.97 1mjf n ASP 47 Ca -0.15 -0.74 0.00 0.00 0.71 0.00 0.00 54.79 54.61 1mjf n ASP 47 Cb 0.48 -4.05 0.00 0.00 -0.02 0.00 0.00 41.12 37.53 1mjf n ASP 47 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1mjf n GLY 48 N -1.74 0.69 3.68 0.44 0.00 -1.26 -5.01 105.19 101.98 1mjf n GLY 48 Ca 0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 1mjf n GLY 48 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1mjf s THR 49 N -2.93 4.87 0.05 2.61 -4.23 -0.90 -4.70 115.64 110.40 1mjf s THR 49 Ca 0.00 -0.01 -0.31 0.00 -1.18 0.00 0.00 61.69 60.19 1mjf s THR 49 Cb 0.00 -3.17 -0.07 0.00 1.34 0.00 0.00 72.50 70.60 1mjf s THR 49 CO 0.00 0.50 1.52 -0.69 -0.54 0.00 0.00 174.62 175.40 1mjf s VAL 50 N 0.04 3.34 -0.16 2.29 1.01 -1.26 -1.25 120.40 124.42 1mjf s VAL 50 Ca 0.06 0.79 -0.11 0.00 0.00 0.00 0.00 61.98 62.72 1mjf s VAL 50 Cb -0.12 -3.51 -0.23 0.00 0.00 0.00 0.00 36.38 32.52 1mjf s VAL 50 CO 0.01 0.01 0.27 0.00 0.00 0.00 0.00 175.10 175.39 1mjf n GLN 51 N 5.30 0.69 -3.51 2.72 1.13 0.77 -4.94 117.38 119.53 1mjf n GLN 51 Ca 0.14 0.36 -0.08 0.00 -1.94 0.00 0.00 57.00 55.48 1mjf n GLN 51 Cb 0.42 -1.71 -0.02 0.00 0.11 0.00 0.00 30.24 29.04 1mjf n GLN 51 CO 0.00 0.00 0.00 -0.48 -1.44 0.00 0.00 177.06 175.14 1mjf s LEU 52 N -7.31 -0.34 -0.03 1.08 0.05 -1.20 -5.02 118.68 105.91 1mjf s LEU 52 Ca -0.25 0.00 0.07 0.00 0.05 0.00 0.00 54.13 54.00 1mjf s LEU 52 Cb 0.07 1.96 -0.02 0.00 -2.05 0.00 0.00 46.19 46.15 1mjf s LEU 52 CO 0.70 -0.58 -0.24 0.68 -0.55 0.00 0.00 176.35 176.36 1mjf s VAL 53 N -3.03 2.25 0.36 1.48 -7.23 -1.26 -1.85 120.40 111.12 1mjf s VAL 53 Ca 0.05 -1.03 0.11 0.00 -1.81 0.00 0.00 61.98 59.30 1mjf s VAL 53 Cb -0.01 -1.80 0.10 0.00 0.56 0.00 0.00 36.38 35.23 1mjf s VAL 53 CO -0.08 0.58 1.83 0.71 -0.31 0.00 0.00 175.10 177.83 1mjf h THR 54 N 4.53 1.24 -2.75 5.32 1.35 -1.13 -2.01 112.91 119.47 1mjf h THR 54 Ca -0.42 -1.16 -0.73 0.00 -0.55 0.00 0.00 66.41 63.55 1mjf h THR 54 Cb 1.13 1.54 -0.20 0.00 -1.73 0.00 0.00 68.15 68.89 1mjf h THR 54 CO 0.48 0.34 0.74 -0.76 -0.25 0.00 0.00 175.52 176.07 1mjf s LEU 55 N -8.38 5.51 0.00 3.87 1.43 -0.87 -4.06 118.68 116.17 1mjf s LEU 55 Ca -0.04 -2.47 0.00 0.00 -1.03 0.00 0.00 54.13 50.60 1mjf s LEU 55 Cb 0.15 -2.35 0.00 0.00 0.03 0.00 0.00 46.19 44.02 1mjf s LEU 55 CO 0.74 -0.85 0.00 0.61 0.23 0.00 0.00 176.35 177.08 1mjf n GLY 56 N 4.72 0.78 0.32 -3.19 0.00 -1.23 -4.85 105.19 101.73 1mjf n GLY 56 Ca 0.24 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.44 1mjf n GLY 56 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1mjf h GLU 57 N 0.00 0.00 0.00 1.61 -0.00 -1.50 -0.50 114.58 114.19 1mjf h GLU 57 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 59.36 59.35 1mjf h GLU 57 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 28.75 1mjf h GLU 57 CO 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 179.01 178.96 1mjf h ARG 58 N 0.00 0.00 0.00 1.06 3.08 -1.88 -1.56 114.38 115.08 1mjf h ARG 58 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.07 1mjf h ARG 58 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.21 1mjf h ARG 58 CO -0.00 0.05 0.00 -1.13 -1.07 0.00 0.00 179.97 177.82 1mjf n SER 59 N -3.41 0.51 -0.11 7.04 3.41 -0.20 -1.71 113.62 119.14 1mjf n SER 59 Ca -0.02 0.66 -0.24 0.00 -0.26 0.00 0.00 58.87 59.02 1mjf n SER 59 Cb 0.18 -0.76 -0.08 0.00 -0.26 0.00 0.00 64.21 63.30 1mjf n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1mjf n TYR 60 N -2.10 0.00 0.02 7.33 9.36 -0.65 -4.40 117.16 126.72 1mjf n TYR 60 Ca 0.01 0.00 -0.05 0.00 3.32 0.00 0.00 57.90 61.18 1mjf n TYR 60 Cb 0.15 -0.81 0.15 0.00 -0.63 0.00 0.00 39.34 38.19 1mjf n TYR 60 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 1mjf h HIS 61 N -0.86 0.55 0.55 2.98 3.86 -1.38 -2.15 115.15 118.70 1mjf h HIS 61 Ca -0.54 -0.15 -0.03 0.00 -1.16 0.00 0.00 60.37 58.49 1mjf h HIS 61 Cb 1.46 -0.12 0.01 0.00 1.06 0.00 0.00 27.41 29.81 1mjf h HIS 61 CO -0.11 0.78 -0.26 0.93 0.86 0.00 0.00 177.93 180.13 1mjf h GLU 62 N 0.39 -0.71 0.00 2.45 5.08 -1.59 -2.60 114.58 117.60 1mjf h GLU 62 Ca 0.04 0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.43 1mjf h GLU 62 Cb 0.84 0.16 -0.00 0.00 0.50 0.00 0.00 28.75 30.25 1mjf h GLU 62 CO 0.07 -0.41 -0.06 -1.00 -1.00 0.00 0.00 179.01 176.61 1mjf h PRO 63 N -0.93 0.00 -0.23 2.33 0.13 -1.77 -1.55 132.00 129.98 1mjf h PRO 63 Ca -0.08 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.98 1mjf h PRO 63 Cb 0.63 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.75 1mjf h PRO 63 CO 0.12 0.06 -0.15 1.25 -0.23 0.00 0.00 178.00 179.06 1mjf h LEU 64 N 0.00 0.53 0.00 1.56 5.85 -1.38 -3.41 115.31 118.46 1mjf h LEU 64 Ca -0.00 -0.43 -0.17 0.00 0.84 0.00 0.00 57.88 58.12 1mjf h LEU 64 Cb 0.37 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 1mjf h LEU 64 CO 0.01 0.85 -1.20 0.52 -0.34 0.00 0.00 178.44 178.28 1mjf n VAL 65 N -4.47 1.49 -0.10 1.05 0.31 -0.98 -4.66 118.33 110.97 1mjf n VAL 65 Ca -0.04 0.01 -0.12 0.00 -0.01 0.00 0.00 64.34 64.18 1mjf n VAL 65 Cb 0.37 -2.17 0.01 0.00 -0.91 0.00 0.00 33.84 31.14 1mjf n VAL 65 CO 0.00 0.00 0.00 0.45 -1.32 0.00 0.00 176.83 175.96 1mjf h HIS 66 N -1.00 1.03 -0.79 3.52 3.86 -1.52 -2.54 115.15 117.70 1mjf h HIS 66 Ca -0.25 -0.30 0.05 0.00 -1.16 0.00 0.00 60.37 58.71 1mjf h HIS 66 Cb 1.06 -0.22 -0.06 0.00 1.06 0.00 0.00 27.41 29.26 1mjf h HIS 66 CO -0.10 1.10 0.49 -1.35 0.86 0.00 0.00 177.93 178.92 1mjf h PRO 67 N 0.71 0.89 -0.13 2.45 0.11 -1.79 -0.08 132.00 134.16 1mjf h PRO 67 Ca 0.06 -0.05 -0.20 0.00 0.11 0.00 0.00 66.00 65.92 1mjf h PRO 67 Cb 0.94 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 31.85 1mjf h PRO 67 CO 0.09 0.59 -0.73 0.00 -0.21 0.00 0.00 178.00 177.73 1mjf h ALA 68 N 1.37 0.47 -0.26 -0.75 0.00 -1.80 -1.07 119.26 117.22 1mjf h ALA 68 Ca 0.34 -0.59 -0.12 0.00 0.00 0.00 0.00 54.91 54.54 1mjf h ALA 68 Cb 0.12 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1mjf h ALA 68 CO -0.15 0.72 -0.33 0.52 0.00 0.00 0.00 179.25 180.01 1mjf h MET 69 N 0.42 0.55 0.00 0.00 2.86 -1.25 -2.34 114.93 115.18 1mjf h MET 69 Ca -0.04 -0.25 -0.06 0.00 -2.06 0.00 0.00 59.70 57.30 1mjf h MET 69 Cb 1.33 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.97 1mjf h MET 69 CO 0.14 0.81 -0.51 -0.07 1.06 0.00 0.00 176.91 178.34 1mjf h LEU 70 N 0.47 0.00 -0.16 1.22 3.38 -1.00 -3.31 115.31 115.91 1mjf h LEU 70 Ca 0.05 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.80 1mjf h LEU 70 Cb 0.80 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.55 1mjf h LEU 70 CO 0.07 0.24 -0.96 0.00 0.09 0.00 0.00 178.44 177.88 1mjf h ALA 71 N 1.76 0.38 -2.62 1.53 0.00 -1.03 -2.14 119.26 117.13 1mjf h ALA 71 Ca -0.02 -0.74 -0.52 0.00 0.00 0.00 0.00 54.91 53.62 1mjf h ALA 71 Cb 1.20 -0.04 0.02 0.00 0.00 0.00 0.00 17.79 18.97 1mjf h ALA 71 CO 0.03 0.88 0.57 -1.58 0.00 0.00 0.00 179.25 179.15 1mjf s HIS 72 N -3.14 3.42 0.30 0.00 5.65 -0.90 -4.79 115.29 115.83 1mjf s HIS 72 Ca -0.04 1.37 -0.01 0.00 0.25 0.00 0.00 55.06 56.63 1mjf s HIS 72 Cb 0.09 -3.45 0.46 0.00 -1.18 0.00 0.00 32.58 28.50 1mjf s HIS 72 CO 0.85 -1.30 1.90 -1.00 -0.65 0.00 0.00 174.74 174.54 1mjf h PRO 73 N 5.64 0.91 -1.22 2.88 0.13 -1.87 -3.39 132.00 135.07 1mjf h PRO 73 Ca -0.44 -0.12 -0.25 0.00 -0.87 0.00 0.00 66.00 64.33 1mjf h PRO 73 Cb 1.21 -0.17 -0.21 0.00 0.13 0.00 0.00 31.00 31.97 1mjf h PRO 73 CO 0.77 0.70 -0.60 0.36 -0.23 0.00 0.00 178.00 179.00 1mjf n LYS 74 N -4.35 0.49 -2.51 0.86 0.00 -1.26 -5.11 118.16 106.29 1mjf n LYS 74 Ca 0.06 -2.26 -0.42 0.00 -0.00 0.00 0.00 58.31 55.69 1mjf n LYS 74 Cb 0.13 -1.50 -0.02 0.00 -0.00 0.00 0.00 35.03 33.63 1mjf n LYS 74 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 1mjf s PRO 75 N 0.66 3.43 -0.14 -1.58 0.04 -1.26 -4.82 135.00 131.33 1mjf s PRO 75 Ca 0.31 0.32 0.09 0.00 0.04 0.00 0.00 61.00 61.76 1mjf s PRO 75 Cb 0.03 -4.06 -0.15 0.00 0.04 0.00 0.00 34.50 30.36 1mjf s PRO 75 CO -0.09 -1.79 -0.00 1.63 0.04 0.00 0.00 177.00 176.78 1mjf n LYS 76 N 8.55 1.49 -4.13 4.56 4.76 -1.26 -4.44 118.16 127.69 1mjf n LYS 76 Ca 0.10 0.02 -0.30 0.00 -2.87 0.00 0.00 58.31 55.26 1mjf n LYS 76 Cb 0.49 -1.34 -0.16 0.00 -1.84 0.00 0.00 35.03 32.18 1mjf n LYS 76 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 1mjf s ARG 77 N -2.32 2.38 0.01 1.97 3.52 -1.26 -0.37 118.95 122.87 1mjf s ARG 77 Ca -0.11 -0.60 0.07 0.00 -0.13 0.00 0.00 55.73 54.97 1mjf s ARG 77 Cb 0.04 -2.13 -0.02 0.00 -1.56 0.00 0.00 34.95 31.29 1mjf s ARG 77 CO 0.50 -0.19 -0.21 0.08 -0.81 0.00 0.00 175.30 174.66 1mjf s VAL 78 N 1.35 1.68 -0.08 7.11 1.01 -0.53 -0.73 120.40 130.21 1mjf s VAL 78 Ca 0.02 -1.03 0.02 0.00 0.00 0.00 0.00 61.98 61.00 1mjf s VAL 78 Cb -0.13 -1.42 -0.02 0.00 0.00 0.00 0.00 36.38 34.80 1mjf s VAL 78 CO -0.09 0.37 -0.16 -0.22 0.00 0.00 0.00 175.10 175.00 1mjf s LEU 79 N -0.78 2.62 -0.19 3.92 2.96 -0.19 -1.25 118.68 125.77 1mjf s LEU 79 Ca 0.08 -0.30 0.01 0.00 -0.22 0.00 0.00 54.13 53.70 1mjf s LEU 79 Cb -0.08 -1.55 0.03 0.00 0.50 0.00 0.00 46.19 45.08 1mjf s LEU 79 CO 0.00 0.26 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.41 1mjf s VAL 80 N -0.20 2.06 -0.22 1.68 1.01 0.25 -0.80 120.40 124.18 1mjf s VAL 80 Ca -0.00 -1.02 -0.15 0.00 0.00 0.00 0.00 61.98 60.81 1mjf s VAL 80 Cb -0.13 -1.90 -0.04 0.00 0.00 0.00 0.00 36.38 34.31 1mjf s VAL 80 CO 0.03 0.47 0.36 -0.63 0.00 0.00 0.00 175.10 175.33 1mjf s ILE 81 N 1.27 5.21 0.00 2.22 1.01 -0.21 -0.79 121.20 129.92 1mjf s ILE 81 Ca 0.03 0.62 0.00 0.00 0.00 0.00 0.00 60.65 61.30 1mjf s ILE 81 Cb -0.14 -3.70 0.00 0.00 0.01 0.00 0.00 42.46 38.64 1mjf s ILE 81 CO -0.12 0.24 0.00 0.61 0.00 0.00 0.00 174.94 175.67 1mjf n GLY 82 N 4.11 0.66 2.49 6.18 0.00 0.52 -0.47 105.19 118.68 1mjf n GLY 82 Ca -0.09 -1.17 -0.12 0.00 0.00 0.00 0.00 46.02 44.63 1mjf n GLY 82 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mjf n GLY 83 N 0.00 0.05 0.30 -0.02 0.00 -0.95 -4.23 105.19 100.35 1mjf n GLY 83 Ca 0.00 -0.25 0.18 0.00 0.00 0.00 0.00 46.02 45.94 1mjf n GLY 83 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1mjf h GLY 84 N -0.95 0.00 1.97 -0.02 0.00 -1.93 -1.76 103.07 100.39 1mjf h GLY 84 Ca -0.30 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.03 1mjf h GLY 84 CO 0.31 0.00 -0.02 2.09 0.00 0.00 0.00 176.54 178.92 1mjf n ASP 85 N -3.38 0.59 0.00 0.19 5.68 -1.26 -4.00 116.55 114.38 1mjf n ASP 85 Ca -0.02 0.54 0.00 0.00 -0.50 0.00 0.00 54.79 54.81 1mjf n ASP 85 Cb 0.16 -0.68 0.00 0.00 -1.14 0.00 0.00 41.12 39.45 1mjf n ASP 85 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1mjf n GLY 86 N 1.36 1.76 0.30 6.12 0.00 -0.66 -4.37 105.19 109.70 1mjf n GLY 86 Ca 0.06 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.05 1mjf n GLY 86 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1mjf h GLY 87 N 0.00 1.11 0.80 -0.02 0.00 -1.86 -2.06 103.07 101.04 1mjf h GLY 87 Ca 0.00 -0.38 -0.03 0.00 0.00 0.00 0.00 47.33 46.91 1mjf h GLY 87 CO 0.00 0.34 -0.02 -0.84 0.00 0.00 0.00 176.54 176.02 1mjf h THR 88 N 0.98 1.27 -0.46 4.70 2.02 -1.91 -2.28 112.91 117.23 1mjf h THR 88 Ca 0.30 -0.93 -0.10 0.00 0.77 0.00 0.00 66.41 66.45 1mjf h THR 88 Cb -0.03 1.51 -0.02 0.00 -1.74 0.00 0.00 68.15 67.88 1mjf h THR 88 CO -0.10 0.28 -0.10 0.58 0.37 0.00 0.00 175.52 176.56 1mjf h VAL 89 N 0.08 1.26 -0.54 3.16 2.07 -1.88 -1.13 116.25 119.27 1mjf h VAL 89 Ca 0.05 -1.17 0.07 0.00 0.82 0.00 0.00 66.70 66.47 1mjf h VAL 89 Cb 0.43 1.01 -0.06 0.00 -1.52 0.00 0.00 31.29 31.15 1mjf h VAL 89 CO 0.01 0.40 0.21 -0.09 0.02 0.00 0.00 177.57 178.13 1mjf h ARG 90 N 0.75 0.39 -0.58 1.57 2.43 -1.25 -1.44 114.38 116.25 1mjf h ARG 90 Ca 0.13 -0.02 -0.11 0.00 -0.81 0.00 0.00 59.98 59.17 1mjf h ARG 90 Cb 0.59 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.03 1mjf h ARG 90 CO 0.04 0.26 -0.06 0.93 -1.51 0.00 0.00 179.97 179.62 1mjf h GLU 91 N 0.40 1.06 -0.58 0.20 4.39 -0.87 -2.83 114.58 116.35 1mjf h GLU 91 Ca 0.26 -0.37 0.01 0.00 0.34 0.00 0.00 59.36 59.60 1mjf h GLU 91 Cb 0.28 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 28.82 1mjf h GLU 91 CO -0.25 1.07 0.39 0.28 -1.16 0.00 0.00 179.01 179.33 1mjf h VAL 92 N 0.95 1.14 0.00 3.13 2.07 -0.76 -2.29 116.25 120.49 1mjf h VAL 92 Ca 0.16 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.41 1mjf h VAL 92 Cb 0.63 0.30 0.00 0.00 -1.52 0.00 0.00 31.29 30.70 1mjf h VAL 92 CO 0.04 0.14 0.00 0.18 0.02 0.00 0.00 177.57 177.95 1mjf n LEU 93 N -4.45 0.00 0.26 2.57 4.77 -0.58 -1.96 117.00 117.61 1mjf n LEU 93 Ca 0.06 0.20 0.13 0.00 -0.03 0.00 0.00 56.01 56.37 1mjf n LEU 93 Cb 0.06 -0.20 0.71 0.00 -2.33 0.00 0.00 43.42 41.66 1mjf n LEU 93 CO 0.36 -0.02 0.96 1.56 -1.33 0.00 0.00 177.39 178.91 1mjf h GLN 94 N 0.00 0.00 -6.23 3.23 4.20 -1.37 -3.44 115.11 111.50 1mjf h GLN 94 Ca 0.00 0.00 -0.54 0.00 0.06 0.00 0.00 58.65 58.17 1mjf h GLN 94 Cb 0.18 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.94 1mjf h GLN 94 CO 0.00 0.13 -0.32 -1.01 -0.67 0.00 0.00 178.83 176.95 1mjf s HIS 95 N -4.12 3.48 -1.34 2.96 3.76 -0.83 -4.93 115.29 114.28 1mjf s HIS 95 Ca -0.02 0.37 -0.17 0.00 -0.15 0.00 0.00 55.06 55.09 1mjf s HIS 95 Cb 0.13 -1.88 0.06 0.00 1.11 0.00 0.00 32.58 32.00 1mjf s HIS 95 CO 0.59 0.38 1.88 -3.47 -0.85 0.00 0.00 174.74 173.26 1mjf n ASP 96 N -0.59 4.58 -4.92 1.40 2.03 -1.26 -4.94 116.55 112.85 1mjf n ASP 96 Ca -0.04 -2.89 -0.26 0.00 0.52 0.00 0.00 54.79 52.12 1mjf n ASP 96 Cb 0.54 -1.72 -0.02 0.00 -0.72 0.00 0.00 41.12 39.20 1mjf n ASP 96 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 1mjf s VAL 97 N 4.11 5.07 -0.10 5.18 -7.23 -1.26 -4.80 120.40 121.37 1mjf s VAL 97 Ca 0.52 -0.22 -0.23 0.00 -1.81 0.00 0.00 61.98 60.24 1mjf s VAL 97 Cb 0.07 -3.81 -0.28 0.00 0.56 0.00 0.00 36.38 32.92 1mjf s VAL 97 CO 0.04 -0.47 0.76 0.44 -0.31 0.00 0.00 175.10 175.55 1mjf h ASP 98 N 1.12 0.28 -4.21 4.85 3.32 -0.99 -3.49 116.42 117.31 1mjf h ASP 98 Ca -0.49 -0.93 -0.16 0.00 0.02 0.00 0.00 57.03 55.48 1mjf h ASP 98 Cb 1.21 -0.09 -0.24 0.00 0.22 0.00 0.00 39.33 40.42 1mjf h ASP 98 CO 0.64 1.31 -0.47 -0.70 -1.72 0.00 0.00 179.24 178.30 1mjf s GLU 99 N -2.36 0.34 -0.11 3.56 2.12 -0.81 -4.68 118.70 116.74 1mjf s GLU 99 Ca -0.17 0.07 -0.01 0.00 0.36 0.00 0.00 54.97 55.21 1mjf s GLU 99 Cb 0.00 0.15 0.03 0.00 0.26 0.00 0.00 34.13 34.58 1mjf s GLU 99 CO 0.76 -0.06 -0.02 0.54 -0.54 0.00 0.00 175.26 175.94 1mjf s VAL 100 N -0.40 0.64 -0.16 3.70 0.11 -0.78 -1.46 120.40 122.05 1mjf s VAL 100 Ca -0.05 -0.18 -0.12 0.00 -2.93 0.00 0.00 61.98 58.70 1mjf s VAL 100 Cb -0.03 -0.83 -0.05 0.00 -1.53 0.00 0.00 36.38 33.94 1mjf s VAL 100 CO 0.01 0.18 0.22 -0.63 -3.33 0.00 0.00 175.10 171.56 1mjf s ILE 101 N 1.85 5.35 -0.17 7.04 1.01 -0.38 -1.31 121.20 134.59 1mjf s ILE 101 Ca 0.03 0.40 -0.02 0.00 0.00 0.00 0.00 60.65 61.07 1mjf s ILE 101 Cb -0.14 -3.55 -0.01 0.00 0.01 0.00 0.00 42.46 38.78 1mjf s ILE 101 CO -0.07 0.45 -0.10 -0.32 0.00 0.00 0.00 174.94 174.90 1mjf s MET 102 N 0.14 3.34 -0.30 2.79 -2.45 -0.22 -0.59 119.30 122.02 1mjf s MET 102 Ca 0.14 -0.67 -0.01 0.00 -1.25 0.00 0.00 55.69 53.90 1mjf s MET 102 Cb -0.12 -2.79 0.05 0.00 1.25 0.00 0.00 34.83 33.22 1mjf s MET 102 CO 0.02 -0.01 -0.01 0.08 1.05 0.00 0.00 175.02 176.16 1mjf s VAL 103 N 0.93 2.87 -0.13 10.11 1.01 0.03 -0.84 120.40 134.38 1mjf s VAL 103 Ca -0.02 -1.47 0.01 0.00 0.00 0.00 0.00 61.98 60.51 1mjf s VAL 103 Cb -0.15 -2.68 0.02 0.00 0.00 0.00 0.00 36.38 33.57 1mjf s VAL 103 CO -0.00 -0.13 -0.17 -0.70 0.00 0.00 0.00 175.10 174.09 1mjf s GLU 104 N 1.22 2.51 0.22 2.72 2.56 -0.87 -0.36 118.70 126.71 1mjf s GLU 104 Ca -0.05 -0.66 -0.05 0.00 0.00 0.00 0.00 54.97 54.21 1mjf s GLU 104 Cb -0.20 -2.15 0.21 0.00 2.00 0.00 0.00 34.13 33.99 1mjf s GLU 104 CO -0.02 -0.11 1.71 0.97 -0.56 0.00 0.00 175.26 177.25 1mjf h ILE 105 N 5.95 1.26 -3.32 -3.70 6.09 -1.72 -2.40 117.51 119.67 1mjf h ILE 105 Ca -0.35 -1.07 -0.73 0.00 -1.37 0.00 0.00 64.86 61.35 1mjf h ILE 105 Cb 1.16 0.81 -0.28 0.00 0.47 0.00 0.00 36.82 38.98 1mjf h ILE 105 CO 0.53 0.38 -0.39 -0.62 -3.07 0.00 0.00 178.15 174.98 1mjf s ASP 106 N -6.60 5.75 0.45 2.19 -1.08 -1.26 -4.43 116.67 111.69 1mjf s ASP 106 Ca -0.11 -1.76 0.14 0.00 -0.52 0.00 0.00 52.55 50.30 1mjf s ASP 106 Cb 0.14 -2.03 1.00 0.00 -1.46 0.00 0.00 42.92 40.57 1mjf s ASP 106 CO 0.83 -0.66 2.00 -0.08 0.52 0.00 0.00 175.17 177.78 1mjf h GLU 107 N 8.49 0.04 0.00 4.34 4.81 -2.01 -2.59 114.58 127.67 1mjf h GLU 107 Ca -0.23 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 58.97 1mjf h GLU 107 Cb 1.08 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.45 1mjf h GLU 107 CO 0.85 0.19 -0.11 -0.44 -0.73 0.00 0.00 179.01 178.77 1mjf h ASP 108 N 0.04 0.00 -0.10 1.04 5.19 -1.98 -1.65 116.42 118.95 1mjf h ASP 108 Ca 0.01 0.00 -0.15 0.00 -0.62 0.00 0.00 57.03 56.27 1mjf h ASP 108 Cb 0.28 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.79 1mjf h ASP 108 CO 0.02 0.11 -0.45 0.58 -3.12 0.00 0.00 179.24 176.39 1mjf h VAL 109 N 0.00 1.30 -0.64 -1.35 2.07 -1.83 -1.84 116.25 113.95 1mjf h VAL 109 Ca -0.00 -1.64 -0.08 0.00 0.82 0.00 0.00 66.70 65.80 1mjf h VAL 109 Cb 0.26 1.58 -0.03 0.00 -1.52 0.00 0.00 31.29 31.59 1mjf h VAL 109 CO 0.01 0.52 0.09 0.40 0.02 0.00 0.00 177.57 178.61 1mjf h ILE 110 N 0.53 1.26 -0.20 4.57 2.04 -1.41 -1.31 117.51 122.99 1mjf h ILE 110 Ca 0.03 -1.05 -0.13 0.00 1.00 0.00 0.00 64.86 64.71 1mjf h ILE 110 Cb 0.99 0.67 0.00 0.00 -0.74 0.00 0.00 36.82 37.74 1mjf h ILE 110 CO 0.09 0.39 -0.40 0.24 0.00 0.00 0.00 178.15 178.47 1mjf h MET 111 N 1.00 0.62 -0.33 2.37 2.86 -1.30 -1.69 114.93 118.45 1mjf h MET 111 Ca 0.19 -0.40 -0.13 0.00 -2.06 0.00 0.00 59.70 57.30 1mjf h MET 111 Cb 0.45 0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.15 1mjf h MET 111 CO 0.02 1.02 -0.32 0.28 1.06 0.00 0.00 176.91 178.96 1mjf h VAL 112 N 0.30 1.28 -0.35 -2.22 2.07 -1.33 -2.44 116.25 113.55 1mjf h VAL 112 Ca 0.01 -1.46 -0.06 0.00 0.82 0.00 0.00 66.70 66.00 1mjf h VAL 112 Cb 1.00 1.37 -0.01 0.00 -1.52 0.00 0.00 31.29 32.13 1mjf h VAL 112 CO 0.09 0.48 -0.02 0.28 0.02 0.00 0.00 177.57 178.42 1mjf h SER 113 N 0.61 0.63 0.77 0.57 0.02 -1.16 0.40 113.55 115.37 1mjf h SER 113 Ca 0.07 -0.32 -0.06 0.00 -0.84 0.00 0.00 61.79 60.64 1mjf h SER 113 Cb 0.84 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 63.21 1mjf h SER 113 CO 0.07 0.79 -0.28 0.07 -1.14 0.00 0.00 176.83 176.35 1mjf h LYS 114 N 0.44 0.00 0.05 3.45 2.10 -1.25 0.23 116.57 121.59 1mjf h LYS 114 Ca 0.10 0.00 -0.25 0.00 -2.00 0.00 0.00 60.65 58.50 1mjf h LYS 114 Cb 0.48 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.79 1mjf h LYS 114 CO 0.02 0.28 -1.35 -0.44 -2.00 0.00 0.00 179.45 175.97 1mjf h ASP 115 N 0.00 0.16 0.00 7.07 3.32 -1.28 -3.42 116.42 122.27 1mjf h ASP 115 Ca -0.00 -0.70 -0.16 0.00 0.02 0.00 0.00 57.03 56.19 1mjf h ASP 115 Cb 0.74 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 40.21 1mjf h ASP 115 CO 0.04 1.56 -1.74 0.18 -1.72 0.00 0.00 179.24 177.55 1mjf n LEU 116 N -4.16 0.00 -0.09 1.55 4.77 0.12 -4.80 117.00 114.38 1mjf n LEU 116 Ca -0.29 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.56 1mjf n LEU 116 Cb 0.78 0.22 -0.05 0.00 -2.33 0.00 0.00 43.42 42.04 1mjf n LEU 116 CO 0.29 0.22 -0.67 -0.38 -1.33 0.00 0.00 177.39 175.52 1mjf n ILE 117 N -2.31 1.48 -3.58 -0.08 2.08 -0.62 -4.99 119.36 111.34 1mjf n ILE 117 Ca -0.15 0.05 -0.20 0.00 0.56 0.00 0.00 62.75 63.01 1mjf n ILE 117 Cb 0.75 -2.24 0.06 0.00 -0.75 0.00 0.00 39.64 37.47 1mjf n ILE 117 CO 0.00 0.00 0.00 0.29 0.56 0.00 0.00 176.55 177.40 1mjf n LYS 118 N -4.47 -5.87 -0.02 0.38 5.02 -0.03 -4.91 118.16 108.26 1mjf n LYS 118 Ca -0.21 0.73 0.13 0.00 -2.02 0.00 0.00 58.31 56.94 1mjf n LYS 118 Cb 0.52 -5.54 0.37 0.00 -0.02 0.00 0.00 35.03 30.37 1mjf n LYS 118 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 1mjf n ILE 119 N -4.26 0.05 0.95 -0.18 -5.35 -1.26 -4.43 119.36 104.88 1mjf n ILE 119 Ca -0.27 -0.35 0.10 0.00 -0.27 0.00 0.00 62.75 61.96 1mjf n ILE 119 Cb 0.66 0.79 -0.09 0.00 -1.74 0.00 0.00 39.64 39.27 1mjf n ILE 119 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 1mjf n ASP 120 N 0.58 0.91 -3.79 7.28 5.75 -1.26 -4.76 116.55 121.27 1mjf n ASP 120 Ca 0.17 -0.88 -0.23 0.00 -0.01 0.00 0.00 54.79 53.84 1mjf n ASP 120 Cb 0.43 0.97 0.02 0.00 -1.03 0.00 0.00 41.12 41.51 1mjf n ASP 120 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 1mjf n ASN 121 N -1.54 -1.42 0.00 -1.12 5.15 -1.26 -2.08 115.26 112.99 1mjf n ASN 121 Ca 0.04 -0.86 0.00 0.00 -0.60 0.00 0.00 54.58 53.16 1mjf n ASN 121 Cb 0.34 -3.81 0.00 0.00 -0.53 0.00 0.00 39.78 35.78 1mjf n ASN 121 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1mjf n GLY 122 N -1.67 1.58 0.14 8.20 0.00 -1.26 -4.93 105.19 107.25 1mjf n GLY 122 Ca -0.26 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.67 1mjf n GLY 122 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1mjf h LEU 123 N 0.00 0.34 -0.82 0.99 5.85 -1.84 -2.17 115.31 117.66 1mjf h LEU 123 Ca 0.00 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.65 1mjf h LEU 123 Cb 0.00 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 40.90 1mjf h LEU 123 CO 0.00 0.31 0.53 -0.07 -0.34 0.00 0.00 178.44 178.87 1mjf h LEU 124 N 0.34 0.96 -0.43 2.25 3.38 -1.92 -0.82 115.31 119.07 1mjf h LEU 124 Ca 0.10 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 1mjf h LEU 124 Cb 0.04 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 1mjf h LEU 124 CO -0.02 0.71 0.19 -0.08 0.09 0.00 0.00 178.44 179.33 1mjf h GLU 125 N 1.12 0.64 -0.69 1.13 4.57 -1.94 -0.93 114.58 118.47 1mjf h GLU 125 Ca 0.30 -0.10 -0.02 0.00 -1.18 0.00 0.00 59.36 58.35 1mjf h GLU 125 Cb -0.10 -0.11 -0.03 0.00 -0.16 0.00 0.00 28.75 28.35 1mjf h GLU 125 CO -0.06 0.57 0.35 0.00 -1.18 0.00 0.00 179.01 178.69 1mjf h ALA 126 N 1.04 0.88 -0.40 2.92 0.00 -0.98 -2.54 119.26 120.17 1mjf h ALA 126 Ca 0.15 -0.13 -0.15 0.00 0.00 0.00 0.00 54.91 54.78 1mjf h ALA 126 Cb 0.16 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1mjf h ALA 126 CO -0.02 0.43 -0.33 0.52 0.00 0.00 0.00 179.25 179.85 1mjf h MET 127 N 0.95 0.92 -0.28 0.00 2.86 -0.99 -0.47 114.93 117.93 1mjf h MET 127 Ca 0.24 -0.45 -0.02 0.00 -2.06 0.00 0.00 59.70 57.40 1mjf h MET 127 Cb 0.09 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.73 1mjf h MET 127 CO -0.03 1.11 0.06 -0.07 1.06 0.00 0.00 176.91 179.04 1mjf h LEU 128 N 0.77 0.36 -2.31 1.22 3.38 -1.01 -2.69 115.31 115.03 1mjf h LEU 128 Ca 0.07 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1mjf h LEU 128 Cb 0.91 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.57 1mjf h LEU 128 CO 0.08 0.37 0.00 0.59 0.09 0.00 0.00 178.44 179.58 1mjf n ASN 129 N -4.38 3.37 -1.94 -0.43 3.02 -0.97 -4.95 115.26 108.98 1mjf n ASN 129 Ca 0.01 -1.98 -0.21 0.00 -0.03 0.00 0.00 54.58 52.37 1mjf n ASN 129 Cb 0.17 -0.38 -0.05 0.00 -0.61 0.00 0.00 39.78 38.90 1mjf n ASN 129 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1mjf n GLY 130 N 1.51 0.91 0.06 7.41 0.00 -0.93 -4.88 105.19 109.26 1mjf n GLY 130 Ca 0.21 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.34 1mjf n GLY 130 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1mjf n LYS 131 N -2.64 0.53 -2.35 1.61 4.81 -0.23 -4.93 118.16 114.96 1mjf n LYS 131 Ca -0.22 -0.02 -0.41 0.00 -0.87 0.00 0.00 58.31 56.79 1mjf n LYS 131 Cb 0.68 -1.66 -0.03 0.00 0.02 0.00 0.00 35.03 34.04 1mjf n LYS 131 CO 0.00 0.00 0.00 -1.58 1.17 0.00 0.00 177.40 176.99 1mjf s HIS 132 N -3.36 3.40 -0.34 5.64 2.46 -1.18 -4.94 115.29 116.97 1mjf s HIS 132 Ca -0.02 1.51 0.23 0.00 0.47 0.00 0.00 55.06 57.25 1mjf s HIS 132 Cb 0.12 -3.44 0.42 0.00 -0.13 0.00 0.00 32.58 29.56 1mjf s HIS 132 CO 0.83 -1.14 1.63 1.49 -2.47 0.00 0.00 174.74 175.09 1mjf h GLU 133 N 4.36 0.00 0.00 2.88 4.81 -1.96 -3.38 114.58 121.30 1mjf h GLU 133 Ca -0.46 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 58.73 1mjf h GLU 133 Cb 1.22 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.59 1mjf h GLU 133 CO 0.70 0.07 -1.14 1.63 -0.73 0.00 0.00 179.01 179.54 1mjf n LYS 134 N -3.12 1.22 -3.72 1.92 5.02 -1.26 -4.99 118.16 113.23 1mjf n LYS 134 Ca 0.03 0.01 -0.35 0.00 -2.02 0.00 0.00 58.31 55.98 1mjf n LYS 134 Cb 0.53 -1.05 -0.08 0.00 -0.02 0.00 0.00 35.03 34.41 1mjf n LYS 134 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1mjf s ALA 135 N -2.05 3.67 -0.10 7.82 0.00 -1.26 -1.86 121.76 127.97 1mjf s ALA 135 Ca -0.03 -0.73 0.03 0.00 0.00 0.00 0.00 51.96 51.24 1mjf s ALA 135 Cb 0.01 -2.19 -0.00 0.00 0.00 0.00 0.00 23.12 20.93 1mjf s ALA 135 CO 0.07 0.10 -0.22 0.15 0.00 0.00 0.00 175.76 175.86 1mjf s LYS 136 N 0.48 3.10 -0.16 0.00 3.01 -0.42 -4.57 119.74 121.19 1mjf s LYS 136 Ca 0.08 -0.84 -0.10 0.00 -1.01 0.00 0.00 55.97 54.10 1mjf s LYS 136 Cb -0.11 -2.37 -0.05 0.00 -1.01 0.00 0.00 37.83 34.29 1mjf s LYS 136 CO -0.01 0.20 0.19 -1.17 0.51 0.00 0.00 175.35 175.07 1mjf s LEU 137 N 0.32 4.28 0.09 3.17 2.96 -1.26 -1.06 118.68 127.18 1mjf s LEU 137 Ca -0.17 0.40 0.07 0.00 -0.22 0.00 0.00 54.13 54.21 1mjf s LEU 137 Cb -0.17 -2.18 -0.03 0.00 0.50 0.00 0.00 46.19 44.30 1mjf s LEU 137 CO 0.08 0.23 -0.17 -0.89 -1.32 0.00 0.00 176.35 174.28 1mjf s THR 138 N -0.04 1.41 -0.21 3.68 2.01 -0.02 -4.96 115.64 117.50 1mjf s THR 138 Ca 0.13 -1.48 -0.05 0.00 0.31 0.00 0.00 61.69 60.60 1mjf s THR 138 Cb -0.12 -1.35 -0.02 0.00 0.01 0.00 0.00 72.50 71.01 1mjf s THR 138 CO 0.02 -0.19 0.00 -0.63 -0.69 0.00 0.00 174.62 173.13 1mjf s ILE 139 N -1.37 3.89 0.00 1.82 -1.09 -1.26 -2.04 121.20 121.15 1mjf s ILE 139 Ca 0.03 -0.33 0.00 0.00 -2.23 0.00 0.00 60.65 58.13 1mjf s ILE 139 Cb -0.09 -2.77 0.00 0.00 -1.58 0.00 0.00 42.46 38.02 1mjf s ILE 139 CO 0.03 0.41 0.00 0.61 -1.23 0.00 0.00 174.94 174.77 1mjf n GLY 140 N 4.46 -0.69 3.72 6.18 0.00 -0.90 -4.91 105.19 113.04 1mjf n GLY 140 Ca -0.17 -1.27 -0.42 0.00 0.00 0.00 0.00 46.02 44.16 1mjf n GLY 140 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1mjf s ASP 141 N 0.00 7.31 0.26 1.61 2.15 -1.26 -2.02 116.67 124.72 1mjf s ASP 141 Ca 0.00 1.87 0.01 0.00 0.43 0.00 0.00 52.55 54.85 1mjf s ASP 141 Cb 0.00 -2.58 0.34 0.00 -0.30 0.00 0.00 42.92 40.38 1mjf s ASP 141 CO 0.00 -0.26 1.69 1.23 -0.17 0.00 0.00 175.17 177.67 1mjf h GLY 142 N 6.16 0.61 0.99 2.66 0.00 -1.98 -1.53 103.07 109.98 1mjf h GLY 142 Ca -0.42 -0.50 0.00 0.00 0.00 0.00 0.00 47.33 46.40 1mjf h GLY 142 CO 0.75 0.46 0.09 -2.75 0.00 0.00 0.00 176.54 175.09 1mjf h PHE 143 N 0.50 0.18 -0.57 5.60 3.57 -1.95 -2.90 116.94 121.37 1mjf h PHE 143 Ca 0.07 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.51 1mjf h PHE 143 Cb 0.69 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.34 1mjf h PHE 143 CO 0.03 0.12 0.10 0.93 -2.23 0.00 0.00 178.31 177.26 1mjf h GLU 144 N 0.18 0.90 -5.73 1.11 4.39 -1.94 -3.47 114.58 110.02 1mjf h GLU 144 Ca 0.05 -0.21 -0.35 0.00 0.34 0.00 0.00 59.36 59.19 1mjf h GLU 144 Cb -0.01 -0.12 -0.05 0.00 -0.10 0.00 0.00 28.75 28.46 1mjf h GLU 144 CO -0.01 0.83 0.92 0.12 -1.16 0.00 0.00 179.01 179.71 1mjf s PHE 145 N -5.16 1.95 0.00 4.33 5.36 -0.59 -4.82 117.98 119.04 1mjf s PHE 145 Ca -0.10 0.35 0.00 0.00 -0.96 0.00 0.00 56.93 56.22 1mjf s PHE 145 Cb 0.15 -4.14 0.00 0.00 -0.34 0.00 0.00 43.02 38.69 1mjf s PHE 145 CO 0.82 -1.69 0.00 0.09 -1.46 0.00 0.00 175.22 172.98 1mjf n ASN 148 N 13.23 0.00 -4.44 6.13 3.02 -1.26 -4.84 115.26 127.10 1mjf n ASN 148 Ca 0.40 0.00 -0.33 0.00 -0.03 0.00 0.00 54.58 54.62 1mjf n ASN 148 Cb 0.47 0.00 -0.13 0.00 -0.61 0.00 0.00 39.78 39.51 1mjf n ASN 148 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1mjf s ASN 149 N 0.00 4.29 0.37 6.41 -0.87 -1.26 -5.12 114.94 118.76 1mjf s ASN 149 Ca 0.00 -0.22 0.05 0.00 -1.57 0.00 0.00 52.86 51.12 1mjf s ASN 149 Cb 0.00 -1.50 -0.03 0.00 -0.02 0.00 0.00 41.25 39.70 1mjf s ASN 149 CO 0.00 0.21 0.19 -0.13 -2.57 0.00 0.00 177.10 174.81 1mjf s ARG 150 N 0.07 1.83 0.00 -0.60 0.52 -1.26 -4.88 118.95 114.64 1mjf s ARG 150 Ca -0.04 -2.09 0.00 0.00 -0.52 0.00 0.00 55.73 53.08 1mjf s ARG 150 Cb -0.14 -0.18 0.00 0.00 0.52 0.00 0.00 34.95 35.15 1mjf s ARG 150 CO 0.04 -0.55 0.00 0.41 0.02 0.00 0.00 175.30 175.22 1mjf n GLY 151 N -0.77 1.07 3.59 -3.53 0.00 -0.65 -5.05 105.19 99.85 1mjf n GLY 151 Ca -0.00 -0.30 -0.34 0.00 0.00 0.00 0.00 46.02 45.37 1mjf n GLY 151 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1mjf s PHE 152 N -2.31 3.12 0.18 1.61 0.08 -0.78 -4.79 117.98 115.09 1mjf s PHE 152 Ca 0.00 -0.06 -0.03 0.00 0.12 0.00 0.00 56.93 56.96 1mjf s PHE 152 Cb 0.00 -1.94 0.09 0.00 -0.57 0.00 0.00 43.02 40.61 1mjf s PHE 152 CO 0.00 0.16 1.48 -0.44 -0.10 0.00 0.00 175.22 176.32 1mjf h ASP 153 N 6.24 0.60 -3.48 1.36 3.32 -1.24 -1.90 116.42 121.30 1mjf h ASP 153 Ca -0.38 -0.34 -0.36 0.00 0.02 0.00 0.00 57.03 55.97 1mjf h ASP 153 Cb 1.18 -0.17 -0.34 0.00 0.22 0.00 0.00 39.33 40.22 1mjf h ASP 153 CO 0.62 1.06 -0.75 -0.69 -1.72 0.00 0.00 179.24 177.75 1mjf s VAL 154 N -3.90 0.29 -0.12 -1.35 1.01 -1.14 -1.92 120.40 113.26 1mjf s VAL 154 Ca -0.07 0.02 0.03 0.00 0.00 0.00 0.00 61.98 61.96 1mjf s VAL 154 Cb 0.11 -0.36 0.01 0.00 0.00 0.00 0.00 36.38 36.14 1mjf s VAL 154 CO 0.84 0.17 -0.20 -0.63 0.00 0.00 0.00 175.10 175.28 1mjf s ILE 155 N 0.99 1.90 -0.18 2.22 1.01 -0.49 -1.03 121.20 125.62 1mjf s ILE 155 Ca -0.10 -0.89 0.00 0.00 0.00 0.00 0.00 60.65 59.66 1mjf s ILE 155 Cb -0.14 -1.69 0.01 0.00 0.01 0.00 0.00 42.46 40.66 1mjf s ILE 155 CO -0.01 0.52 -0.18 -0.63 0.00 0.00 0.00 174.94 174.64 1mjf s ILE 156 N 0.79 2.27 -0.56 2.92 1.01 0.02 -1.34 121.20 126.31 1mjf s ILE 156 Ca -0.09 -0.87 -0.20 0.00 0.00 0.00 0.00 60.65 59.49 1mjf s ILE 156 Cb -0.16 -1.96 0.08 0.00 0.01 0.00 0.00 42.46 40.43 1mjf s ILE 156 CO -0.00 0.52 0.72 0.00 0.00 0.00 0.00 174.94 176.18 1mjf s ALA 157 N 1.27 3.35 -0.86 9.38 0.00 0.28 -1.04 121.76 134.13 1mjf s ALA 157 Ca 0.04 -1.90 0.01 0.00 0.00 0.00 0.00 51.96 50.11 1mjf s ALA 157 Cb -0.13 -3.51 0.31 0.00 0.00 0.00 0.00 23.12 19.79 1mjf s ALA 157 CO -0.11 -2.26 1.36 -3.47 0.00 0.00 0.00 175.76 171.29 1mjf n ASP 158 N 6.51 5.87 -0.38 0.00 2.03 0.38 -3.07 116.55 127.88 1mjf n ASP 158 Ca -0.07 -3.60 0.00 0.00 0.52 0.00 0.00 54.79 51.65 1mjf n ASP 158 Cb 0.44 -0.95 0.00 0.00 -0.72 0.00 0.00 41.12 39.89 1mjf n ASP 158 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1mjf n SER 159 N 0.31 1.94 -4.20 1.67 2.88 -1.25 -2.24 113.62 112.73 1mjf n SER 159 Ca 0.36 -0.19 -0.28 0.00 -1.33 0.00 0.00 58.87 57.42 1mjf n SER 159 Cb 0.33 0.00 0.18 0.00 -0.75 0.00 0.00 64.21 63.97 1mjf n SER 159 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 1mjf s THR 160 N 0.65 2.02 0.81 2.46 -4.23 -1.26 -4.99 115.64 111.11 1mjf s THR 160 Ca 0.00 -0.15 -0.11 0.00 -1.18 0.00 0.00 61.69 60.25 1mjf s THR 160 Cb 0.00 -2.87 0.08 0.00 1.34 0.00 0.00 72.50 71.05 1mjf s THR 160 CO 0.00 0.00 1.09 -1.81 -0.54 0.00 0.00 174.62 173.36 1mjf s ASP 161 N -4.89 4.17 0.06 3.99 1.01 -1.26 -5.05 116.67 114.71 1mjf s ASP 161 Ca 0.73 1.68 -0.30 0.00 0.71 0.00 0.00 52.55 55.37 1mjf s ASP 161 Cb -0.03 -2.38 -0.09 0.00 1.01 0.00 0.00 42.92 41.42 1mjf s ASP 161 CO 0.51 -2.22 1.96 -2.84 0.21 0.00 0.00 175.17 172.78 1mjf s PRO 162 N -4.93 4.14 0.37 8.23 0.02 -1.26 -5.07 135.00 136.50 1mjf s PRO 162 Ca 0.62 2.63 0.28 0.00 0.02 0.00 0.00 61.00 64.55 1mjf s PRO 162 Cb -0.17 -4.06 0.96 0.00 0.02 0.00 0.00 34.50 31.25 1mjf s PRO 162 CO 0.56 -0.94 0.96 0.28 -0.33 0.00 0.00 177.00 177.53 1mjf n VAL 168 N 5.41 0.00 1.61 3.83 0.31 -1.26 -5.10 118.33 123.13 1mjf n VAL 168 Ca 0.20 0.92 0.12 0.00 -0.01 0.00 0.00 64.34 65.57 1mjf n VAL 168 Cb 0.40 -1.57 0.57 0.00 -0.91 0.00 0.00 33.84 32.34 1mjf n VAL 168 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1mjf n LEU 169 N -3.03 0.97 -0.24 7.52 4.77 -1.26 -3.51 117.00 122.22 1mjf n LEU 169 Ca 0.25 -0.37 0.08 0.00 -0.03 0.00 0.00 56.01 55.95 1mjf n LEU 169 Cb 1.22 -0.03 0.14 0.00 -2.33 0.00 0.00 43.42 42.42 1mjf n LEU 169 CO 0.25 0.18 0.49 0.49 -1.33 0.00 0.00 177.39 177.47 1mjf n PHE 170 N -0.20 0.00 -3.97 -1.77 3.01 -1.26 -4.92 117.46 108.36 1mjf n PHE 170 Ca 0.18 -1.01 -0.28 0.00 1.01 0.00 0.00 57.45 57.35 1mjf n PHE 170 Cb 0.24 -0.16 -0.04 0.00 -0.01 0.00 0.00 39.48 39.51 1mjf n PHE 170 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 1mjf s SER 171 N -2.79 6.15 0.26 4.37 1.04 -1.23 -4.78 113.70 116.73 1mjf s SER 171 Ca 0.31 0.15 -0.02 0.00 0.48 0.00 0.00 55.95 56.86 1mjf s SER 171 Cb 0.28 -1.82 0.43 0.00 0.10 0.00 0.00 66.02 65.01 1mjf s SER 171 CO 0.00 0.11 1.86 -0.08 0.98 0.00 0.00 173.24 176.11 1mjf h GLU 172 N 2.62 1.04 -0.30 4.02 4.81 -1.92 -1.99 114.58 122.86 1mjf h GLU 172 Ca -0.47 -0.06 0.01 0.00 -0.13 0.00 0.00 59.36 58.71 1mjf h GLU 172 Cb 1.18 -0.23 -0.02 0.00 0.63 0.00 0.00 28.75 30.31 1mjf h GLU 172 CO 0.70 0.69 0.17 1.49 -0.73 0.00 0.00 179.01 181.33 1mjf h GLU 173 N 1.07 0.35 -0.68 1.92 4.81 -1.95 -1.96 114.58 118.14 1mjf h GLU 173 Ca 0.44 -0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.68 1mjf h GLU 173 Cb 0.27 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.52 1mjf h GLU 173 CO -0.20 0.23 0.42 0.35 -0.73 0.00 0.00 179.01 179.07 1mjf h PHE 174 N 0.36 0.78 0.00 0.92 3.57 -1.69 -2.78 116.94 118.10 1mjf h PHE 174 Ca 0.12 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.60 1mjf h PHE 174 Cb -0.00 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 38.48 1mjf h PHE 174 CO -0.07 0.44 -0.17 1.88 -2.23 0.00 0.00 178.31 178.15 1mjf h TYR 175 N 0.81 0.00 -0.05 0.41 0.05 -0.86 -0.79 116.97 116.54 1mjf h TYR 175 Ca 0.28 0.00 -0.25 0.00 0.05 0.00 0.00 58.73 58.81 1mjf h TYR 175 Cb 0.04 0.00 0.02 0.00 1.01 0.00 0.00 36.73 37.80 1mjf h TYR 175 CO -0.05 0.17 -0.93 0.00 -1.05 0.00 0.00 178.16 176.30 1mjf h ARG 176 N 0.00 0.73 -0.27 4.88 3.08 -1.11 -1.66 114.38 120.03 1mjf h ARG 176 Ca -0.00 -0.71 -0.07 0.00 0.07 0.00 0.00 59.98 59.27 1mjf h ARG 176 Cb 0.53 0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.75 1mjf h ARG 176 CO 0.02 1.30 -0.14 1.88 -1.07 0.00 0.00 179.97 181.96 1mjf h TYR 177 N 0.43 0.49 -0.28 3.04 0.05 -1.22 -1.36 116.97 118.10 1mjf h TYR 177 Ca -0.10 -0.08 -0.06 0.00 0.05 0.00 0.00 58.73 58.54 1mjf h TYR 177 Cb 1.58 -0.13 -0.01 0.00 1.01 0.00 0.00 36.73 39.18 1mjf h TYR 177 CO 0.10 0.58 -0.06 0.28 -1.05 0.00 0.00 178.16 178.01 1mjf h VAL 178 N 0.42 1.28 -0.65 -2.88 2.07 -1.15 -1.82 116.25 113.52 1mjf h VAL 178 Ca 0.08 -1.07 -0.02 0.00 0.82 0.00 0.00 66.70 66.50 1mjf h VAL 178 Cb 0.50 1.40 -0.03 0.00 -1.52 0.00 0.00 31.29 31.63 1mjf h VAL 178 CO 0.03 0.34 0.31 0.22 0.02 0.00 0.00 177.57 178.49 1mjf h TYR 179 N 0.31 0.94 0.00 1.57 5.03 -1.08 -1.92 116.97 121.81 1mjf h TYR 179 Ca 0.07 -0.05 -0.08 0.00 2.58 0.00 0.00 58.73 61.26 1mjf h TYR 179 Cb 0.53 -0.29 -0.01 0.00 1.55 0.00 0.00 36.73 38.51 1mjf h TYR 179 CO 0.05 0.71 -0.37 0.22 -1.32 0.00 0.00 178.16 177.44 1mjf h ASP 180 N 0.89 0.00 0.73 -2.11 1.82 -1.25 -2.79 116.42 113.70 1mjf h ASP 180 Ca 0.22 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.86 1mjf h ASP 180 Cb 0.12 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.13 1mjf h ASP 180 CO -0.03 0.37 -0.11 0.00 -1.61 0.00 0.00 179.24 177.86 1mjf n ALA 181 N -2.43 2.66 -2.25 -0.78 0.00 -0.69 -4.75 120.51 112.27 1mjf n ALA 181 Ca -0.02 -0.18 -0.36 0.00 0.00 0.00 0.00 53.44 52.88 1mjf n ALA 181 Cb 0.42 -1.38 -0.06 0.00 0.00 0.00 0.00 19.45 18.43 1mjf n ALA 181 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1mjf s LEU 182 N -2.84 4.39 0.97 0.00 1.43 -0.78 -1.63 118.68 120.21 1mjf s LEU 182 Ca 0.18 1.24 -0.12 0.00 -1.03 0.00 0.00 54.13 54.40 1mjf s LEU 182 Cb 0.19 -3.29 0.17 0.00 0.03 0.00 0.00 46.19 43.29 1mjf s LEU 182 CO 0.54 0.12 1.11 0.20 0.23 0.00 0.00 176.35 178.55 1mjf s ASN 183 N -1.56 2.91 -0.27 2.29 0.01 -0.71 -4.81 114.94 112.80 1mjf s ASN 183 Ca 0.38 1.10 -0.01 0.00 -0.71 0.00 0.00 52.86 53.61 1mjf s ASN 183 Cb -0.17 -1.73 0.04 0.00 0.41 0.00 0.00 41.25 39.80 1mjf s ASN 183 CO 0.20 -2.94 -0.05 0.21 -1.51 0.00 0.00 177.10 173.01 1mjf s ASN 184 N -3.67 4.55 0.44 -1.22 3.84 -1.26 -1.49 114.94 116.13 1mjf s ASN 184 Ca 0.65 -1.11 -0.17 0.00 0.21 0.00 0.00 52.86 52.44 1mjf s ASN 184 Cb -0.17 -1.66 -0.09 0.00 -0.55 0.00 0.00 41.25 38.77 1mjf s ASN 184 CO 0.56 -0.19 0.90 -2.16 -2.79 0.00 0.00 177.10 173.42 1mjf s PRO 185 N 1.26 4.03 0.19 0.43 0.04 -1.26 -5.05 135.00 134.65 1mjf s PRO 185 Ca -0.03 0.90 -0.02 0.00 0.04 0.00 0.00 61.00 61.88 1mjf s PRO 185 Cb -0.18 -2.24 -0.04 0.00 0.04 0.00 0.00 34.50 32.08 1mjf s PRO 185 CO -0.03 -0.08 0.15 0.20 0.04 0.00 0.00 177.00 177.28 1mjf s GLY 186 N -2.63 1.28 -0.20 0.56 0.00 -0.41 -4.81 107.32 101.11 1mjf s GLY 186 Ca 0.58 -1.58 -0.13 0.00 0.00 0.00 0.00 44.72 43.59 1mjf s GLY 186 CO 0.22 -1.31 0.50 -1.50 0.00 0.00 0.00 173.10 171.01 1mjf s ILE 187 N -4.13 -0.01 -0.01 0.90 2.07 -0.81 -2.45 121.20 116.76 1mjf s ILE 187 Ca 0.35 0.05 0.03 0.00 -1.41 0.00 0.00 60.65 59.67 1mjf s ILE 187 Cb 0.06 -0.72 -0.03 0.00 0.13 0.00 0.00 42.46 41.90 1mjf s ILE 187 CO 0.10 0.02 -0.09 -0.47 -1.91 0.00 0.00 174.94 172.59 1mjf s TYR 188 N 1.12 2.85 -0.03 3.50 5.04 0.58 -1.40 117.35 129.00 1mjf s TYR 188 Ca -0.07 -0.06 -0.03 0.00 -2.44 0.00 0.00 57.07 54.47 1mjf s TYR 188 Cb -0.06 -1.62 0.01 0.00 0.35 0.00 0.00 41.96 40.64 1mjf s TYR 188 CO -0.10 0.33 0.09 0.54 -1.34 0.00 0.00 175.55 175.07 1mjf s VAL 189 N -0.92 -0.01 0.02 3.14 0.11 -0.45 -1.22 120.40 121.07 1mjf s VAL 189 Ca 0.15 0.02 0.02 0.00 -2.93 0.00 0.00 61.98 59.24 1mjf s VAL 189 Cb -0.11 -0.13 -0.01 0.00 -1.53 0.00 0.00 36.38 34.59 1mjf s VAL 189 CO 0.05 0.01 -0.07 0.28 -3.33 0.00 0.00 175.10 172.05 1mjf s THR 190 N 0.15 0.48 0.41 5.04 -1.32 -0.50 -0.56 115.64 119.34 1mjf s THR 190 Ca -0.01 -0.66 -0.26 0.00 -1.21 0.00 0.00 61.69 59.55 1mjf s THR 190 Cb -0.02 -0.48 -0.09 0.00 -1.51 0.00 0.00 72.50 70.41 1mjf s THR 190 CO -0.00 -0.14 1.29 0.00 -2.21 0.00 0.00 174.62 173.56 1mjf s GLN 191 N -0.87 3.94 -0.05 7.08 1.03 -1.18 -1.28 119.66 128.33 1mjf s GLN 191 Ca -0.04 2.13 0.07 0.00 0.04 0.00 0.00 55.36 57.56 1mjf s GLN 191 Cb -0.06 -2.73 0.11 0.00 0.03 0.00 0.00 33.01 30.36 1mjf s GLN 191 CO 0.00 -0.51 1.06 0.00 -2.54 0.00 0.00 175.29 173.30 1mjf n ALA 192 N 0.07 2.10 0.00 2.60 0.00 0.20 -4.84 120.51 120.63 1mjf n ALA 192 Ca 0.04 -1.60 0.00 0.00 0.00 0.00 0.00 53.44 51.88 1mjf n ALA 192 Cb 0.44 -0.46 0.00 0.00 0.00 0.00 0.00 19.45 19.43 1mjf n ALA 192 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mjf n GLY 193 N -0.52 -0.40 3.69 0.00 0.00 -1.25 -4.39 105.19 102.32 1mjf n GLY 193 Ca 0.06 -1.78 -0.42 0.00 0.00 0.00 0.00 46.02 43.88 1mjf n GLY 193 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1mjf s SER 194 N -1.86 6.43 0.17 1.61 0.15 -1.26 -0.43 113.70 118.51 1mjf s SER 194 Ca 0.00 2.75 -0.15 0.00 0.70 0.00 0.00 55.95 59.25 1mjf s SER 194 Cb 0.00 -2.56 0.12 0.00 -1.71 0.00 0.00 66.02 61.87 1mjf s SER 194 CO 0.00 -1.01 1.70 0.58 1.20 0.00 0.00 173.24 175.71 1mjf h VAL 195 N 4.82 0.70 0.02 4.45 2.07 -1.66 -1.98 116.25 124.67 1mjf h VAL 195 Ca -0.46 -0.04 -0.27 0.00 0.82 0.00 0.00 66.70 66.75 1mjf h VAL 195 Cb 1.22 0.56 -0.04 0.00 -1.52 0.00 0.00 31.29 31.51 1mjf h VAL 195 CO 0.95 0.02 -1.46 1.88 0.02 0.00 0.00 177.57 178.98 1mjf h TYR 196 N 0.12 0.06 0.00 1.57 0.05 -1.91 -3.36 116.97 113.50 1mjf h TYR 196 Ca 0.21 -0.04 0.00 0.00 0.05 0.00 0.00 58.73 58.94 1mjf h TYR 196 Cb 0.29 -0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.03 1mjf h TYR 196 CO -0.27 1.06 -1.17 1.28 -1.05 0.00 0.00 178.16 178.01 1mjf n LEU 197 N -3.20 0.14 -2.11 3.88 4.77 -1.22 -4.41 117.00 114.86 1mjf n LEU 197 Ca -0.12 -0.15 -0.24 0.00 -0.03 0.00 0.00 56.01 55.48 1mjf n LEU 197 Cb 1.01 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 42.12 1mjf n LEU 197 CO 0.46 0.03 0.18 0.49 -1.33 0.00 0.00 177.39 177.22 1mjf n PHE 198 N -1.67 2.84 -0.16 -1.77 3.72 -0.75 -4.60 117.46 115.07 1mjf n PHE 198 Ca -0.01 -2.37 -0.10 0.00 -0.05 0.00 0.00 57.45 54.92 1mjf n PHE 198 Cb 0.23 -0.30 -0.00 0.00 -0.94 0.00 0.00 39.48 38.47 1mjf n PHE 198 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 176.76 177.86 1mjf h THR 199 N 2.29 1.27 -0.65 4.37 2.02 -1.71 -1.99 112.91 118.51 1mjf h THR 199 Ca 0.35 -1.13 -0.04 0.00 0.77 0.00 0.00 66.41 66.36 1mjf h THR 199 Cb 1.44 1.08 -0.03 0.00 -1.74 0.00 0.00 68.15 68.89 1mjf h THR 199 CO 0.77 0.39 0.26 0.44 0.37 0.00 0.00 175.52 177.74 1mjf h ASP 200 N 0.68 0.87 -0.05 4.18 3.32 -1.92 -1.28 116.42 122.23 1mjf h ASP 200 Ca 0.12 -0.12 -0.10 0.00 0.02 0.00 0.00 57.03 56.95 1mjf h ASP 200 Cb 0.57 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.88 1mjf h ASP 200 CO 0.03 0.78 -0.27 -0.33 -1.72 0.00 0.00 179.24 177.73 1mjf h GLU 201 N 0.94 0.49 -0.35 3.56 3.07 -1.89 -1.24 114.58 119.15 1mjf h GLU 201 Ca 0.22 -0.19 -0.11 0.00 -0.50 0.00 0.00 59.36 58.78 1mjf h GLU 201 Cb 0.18 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.06 1mjf h GLU 201 CO -0.02 0.72 -0.22 1.25 -1.40 0.00 0.00 179.01 179.35 1mjf h LEU 202 N 0.43 0.80 -0.45 1.33 5.85 -0.89 -2.36 115.31 120.02 1mjf h LEU 202 Ca 0.06 -0.42 -0.08 0.00 0.84 0.00 0.00 57.88 58.27 1mjf h LEU 202 Cb 0.70 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.49 1mjf h LEU 202 CO 0.05 1.05 -0.05 0.40 -0.34 0.00 0.00 178.44 179.55 1mjf h ILE 203 N 0.55 1.27 0.00 4.05 2.04 -1.02 -2.01 117.51 122.38 1mjf h ILE 203 Ca 0.07 -1.13 -0.12 0.00 1.00 0.00 0.00 64.86 64.69 1mjf h ILE 203 Cb 0.77 1.10 -0.02 0.00 -0.74 0.00 0.00 36.82 37.93 1mjf h ILE 203 CO 0.06 0.39 -0.56 0.77 0.00 0.00 0.00 178.15 178.81 1mjf h SER 204 N 0.66 0.00 -0.08 1.72 4.64 -1.27 -1.23 113.55 117.98 1mjf h SER 204 Ca 0.12 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.28 1mjf h SER 204 Cb 0.56 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.65 1mjf h SER 204 CO 0.03 0.56 -0.52 0.00 -0.87 0.00 0.00 176.83 176.03 1mjf h ALA 205 N 1.44 0.65 -0.35 5.18 0.00 -1.33 -2.60 119.26 122.25 1mjf h ALA 205 Ca -0.01 -0.50 -0.07 0.00 0.00 0.00 0.00 54.91 54.33 1mjf h ALA 205 Cb 1.02 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 1mjf h ALA 205 CO 0.07 0.68 -0.08 -0.92 0.00 0.00 0.00 179.25 179.00 1mjf h TYR 206 N 0.51 0.64 -0.35 0.00 5.03 -0.98 -2.35 116.97 119.47 1mjf h TYR 206 Ca 0.02 -0.09 -0.09 0.00 2.58 0.00 0.00 58.73 61.14 1mjf h TYR 206 Cb 1.08 -0.17 -0.01 0.00 1.55 0.00 0.00 36.73 39.18 1mjf h TYR 206 CO 0.05 0.66 -0.14 0.87 -1.32 0.00 0.00 178.16 178.29 1mjf h LYS 207 N 0.55 0.71 -0.62 1.82 1.57 -1.12 -1.81 116.57 117.67 1mjf h LYS 207 Ca 0.10 -0.30 -0.09 0.00 -1.87 0.00 0.00 60.65 58.50 1mjf h LYS 207 Cb 0.47 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.73 1mjf h LYS 207 CO 0.03 0.90 0.03 0.93 -0.57 0.00 0.00 179.45 180.76 1mjf h GLU 208 N 0.50 1.08 -0.06 3.15 4.39 -1.38 -2.78 114.58 119.47 1mjf h GLU 208 Ca 0.08 -0.33 -0.09 0.00 0.34 0.00 0.00 59.36 59.37 1mjf h GLU 208 Cb 0.66 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.20 1mjf h GLU 208 CO 0.05 1.03 -0.36 0.52 -1.16 0.00 0.00 179.01 179.09 1mjf h MET 209 N 0.98 0.12 0.00 2.33 2.86 -1.35 -2.76 114.93 117.13 1mjf h MET 209 Ca 0.18 -0.05 -0.06 0.00 -2.06 0.00 0.00 59.70 57.71 1mjf h MET 209 Cb 0.53 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.17 1mjf h MET 209 CO 0.03 0.47 -0.28 0.87 1.06 0.00 0.00 176.91 179.06 1mjf h LYS 210 N 0.11 0.00 0.00 1.72 1.79 -1.05 -1.15 116.57 117.98 1mjf h LYS 210 Ca 0.01 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.48 1mjf h LYS 210 Cb 0.69 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.34 1mjf h LYS 210 CO 0.05 0.28 0.00 0.87 -1.08 0.00 0.00 179.45 179.57 1mjf h LYS 211 N 0.00 0.00 0.00 3.15 1.57 -1.33 -3.40 116.57 116.57 1mjf h LYS 211 Ca -0.00 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.69 1mjf h LYS 211 Cb 0.69 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.99 1mjf h LYS 211 CO 0.04 0.00 -1.03 0.28 -0.57 0.00 0.00 179.45 178.17 1mjf n VAL 212 N -3.04 0.85 -1.78 0.50 0.31 -0.99 -5.07 118.33 109.10 1mjf n VAL 212 Ca 0.02 0.06 -0.31 0.00 -0.01 0.00 0.00 64.34 64.09 1mjf n VAL 212 Cb 0.37 -1.72 0.02 0.00 -0.91 0.00 0.00 33.84 31.61 1mjf n VAL 212 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 1mjf s PHE 213 N -2.22 3.44 0.20 3.52 0.08 -0.47 -4.98 117.98 117.54 1mjf s PHE 213 Ca -0.12 1.34 -0.03 0.00 0.12 0.00 0.00 56.93 58.25 1mjf s PHE 213 Cb 0.03 -2.78 0.15 0.00 -0.57 0.00 0.00 43.02 39.85 1mjf s PHE 213 CO 0.15 -0.87 1.54 -0.44 -0.10 0.00 0.00 175.22 175.50 1mjf h ASP 214 N -0.41 0.63 -3.83 1.36 5.19 -1.66 -3.45 116.42 114.26 1mjf h ASP 214 Ca -0.44 -0.31 -0.17 0.00 -0.62 0.00 0.00 57.03 55.49 1mjf h ASP 214 Cb 1.20 -0.18 -0.26 0.00 0.18 0.00 0.00 39.33 40.27 1mjf h ASP 214 CO 0.60 1.01 -0.45 -0.13 -3.12 0.00 0.00 179.24 177.15 1mjf s ARG 215 N -4.13 0.27 -0.08 3.56 0.52 -1.23 -5.02 118.95 112.84 1mjf s ARG 215 Ca -0.08 0.31 0.05 0.00 -0.52 0.00 0.00 55.73 55.49 1mjf s ARG 215 Cb 0.12 0.13 -0.01 0.00 0.52 0.00 0.00 34.95 35.71 1mjf s ARG 215 CO 0.84 -0.03 -0.23 0.08 0.02 0.00 0.00 175.30 175.97 1mjf s VAL 216 N 0.10 2.19 0.20 3.52 1.01 -1.26 -1.48 120.40 124.69 1mjf s VAL 216 Ca -0.00 -1.00 0.11 0.00 0.00 0.00 0.00 61.98 61.09 1mjf s VAL 216 Cb -0.02 -1.82 -0.04 0.00 0.00 0.00 0.00 36.38 34.50 1mjf s VAL 216 CO 0.00 0.56 -0.23 -0.31 0.00 0.00 0.00 175.10 175.13 1mjf s TYR 217 N 0.01 2.28 0.04 5.22 1.51 -0.06 -4.98 117.35 121.37 1mjf s TYR 217 Ca -0.08 -0.36 0.05 0.00 -1.01 0.00 0.00 57.07 55.66 1mjf s TYR 217 Cb -0.15 -1.11 -0.02 0.00 -0.11 0.00 0.00 41.96 40.57 1mjf s TYR 217 CO 0.05 0.53 -0.13 1.52 -1.11 0.00 0.00 175.55 176.41 1mjf s TYR 218 N -1.81 1.16 0.32 2.71 -0.85 -1.26 -0.87 117.35 116.74 1mjf s TYR 218 Ca 0.22 -0.36 -0.06 0.00 -0.52 0.00 0.00 57.07 56.35 1mjf s TYR 218 Cb -0.07 -0.69 0.00 0.00 0.38 0.00 0.00 41.96 41.58 1mjf s TYR 218 CO 0.10 0.03 0.48 1.52 -1.52 0.00 0.00 175.55 176.16 1mjf s TYR 219 N -0.89 0.83 0.05 -3.49 1.13 -0.66 -4.81 117.35 109.51 1mjf s TYR 219 Ca 0.01 -1.13 -0.00 0.00 -1.41 0.00 0.00 57.07 54.53 1mjf s TYR 219 Cb -0.08 0.02 -0.04 0.00 -1.10 0.00 0.00 41.96 40.76 1mjf s TYR 219 CO 0.01 -1.11 -0.04 -1.54 -2.51 0.00 0.00 175.55 170.37 1mjf s SER 220 N -3.17 0.54 -0.11 -0.18 1.04 -1.16 -1.25 113.70 109.43 1mjf s SER 220 Ca 0.28 -0.93 -0.17 0.00 0.48 0.00 0.00 55.95 55.62 1mjf s SER 220 Cb -0.00 0.17 0.04 0.00 0.10 0.00 0.00 66.02 66.33 1mjf s SER 220 CO 0.16 -0.54 0.42 0.12 0.98 0.00 0.00 173.24 174.39 1mjf s PHE 221 N -3.51 -0.41 -0.80 5.02 2.19 -0.55 -4.70 117.98 115.22 1mjf s PHE 221 Ca 0.04 0.89 -0.25 0.00 0.33 0.00 0.00 56.93 57.94 1mjf s PHE 221 Cb 0.05 0.17 0.00 0.00 -1.31 0.00 0.00 43.02 41.93 1mjf s PHE 221 CO -0.08 -0.32 1.64 -1.25 1.83 0.00 0.00 175.22 177.04 1mjf s PRO 222 N -0.38 2.96 -0.17 10.12 0.04 -1.26 -1.39 135.00 144.91 1mjf s PRO 222 Ca -0.05 -0.18 -0.18 0.00 0.04 0.00 0.00 61.00 60.62 1mjf s PRO 222 Cb -0.03 -4.69 -0.04 0.00 0.04 0.00 0.00 34.50 29.78 1mjf s PRO 222 CO 0.03 -2.61 0.48 0.08 0.04 0.00 0.00 177.00 175.02 1mjf s VAL 223 N 7.55 5.15 -0.06 -0.36 1.01 -1.26 -4.86 120.40 127.57 1mjf s VAL 223 Ca 0.55 0.91 -0.30 0.00 0.00 0.00 0.00 61.98 63.14 1mjf s VAL 223 Cb -0.07 -3.81 -0.03 0.00 0.00 0.00 0.00 36.38 32.46 1mjf s VAL 223 CO 0.08 0.24 1.16 -0.63 0.00 0.00 0.00 175.10 175.95 1mjf s ILE 224 N 1.22 4.37 0.00 2.22 1.01 -1.26 -3.13 121.20 125.62 1mjf s ILE 224 Ca 0.24 1.68 0.00 0.00 0.00 0.00 0.00 60.65 62.57 1mjf s ILE 224 Cb -0.15 -4.08 0.00 0.00 0.01 0.00 0.00 42.46 38.24 1mjf s ILE 224 CO 0.09 0.00 0.00 0.61 0.00 0.00 0.00 174.94 175.65 1mjf n GLY 225 N 3.30 2.65 3.78 6.18 0.00 -1.26 -4.59 105.19 115.25 1mjf n GLY 225 Ca 0.10 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.90 1mjf n GLY 225 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1mjf s TYR 226 N -2.57 2.86 -0.21 1.61 2.02 -1.19 -4.80 117.35 115.08 1mjf s TYR 226 Ca 0.00 -0.27 -0.29 0.00 -0.37 0.00 0.00 57.07 56.14 1mjf s TYR 226 Cb 0.00 -1.56 -0.04 0.00 -0.40 0.00 0.00 41.96 39.96 1mjf s TYR 226 CO 0.00 0.38 1.82 0.00 -1.57 0.00 0.00 175.55 176.18 1mjf s ALA 227 N -2.31 3.13 -0.09 3.71 0.00 -1.26 -4.86 121.76 120.08 1mjf s ALA 227 Ca 0.37 0.60 -0.05 0.00 0.00 0.00 0.00 51.96 52.88 1mjf s ALA 227 Cb -0.05 -3.93 -0.04 0.00 0.00 0.00 0.00 23.12 19.10 1mjf s ALA 227 CO 0.24 -2.20 0.13 0.45 0.00 0.00 0.00 175.76 174.38 1mjf s SER 228 N 5.42 6.19 0.53 0.00 0.15 -1.26 -4.23 113.70 120.50 1mjf s SER 228 Ca 0.81 0.38 -0.03 0.00 0.70 0.00 0.00 55.95 57.81 1mjf s SER 228 Cb -0.28 -1.95 0.01 0.00 -1.71 0.00 0.00 66.02 62.09 1mjf s SER 228 CO 0.33 0.37 0.80 -2.16 1.20 0.00 0.00 173.24 173.77 1mjf s PRO 229 N -1.24 2.93 -0.03 5.44 0.04 -1.26 -4.93 135.00 135.95 1mjf s PRO 229 Ca 0.18 -0.27 -0.01 0.00 0.04 0.00 0.00 61.00 60.93 1mjf s PRO 229 Cb -0.12 -2.41 -0.04 0.00 0.04 0.00 0.00 34.50 31.98 1mjf s PRO 229 CO 0.07 -0.54 0.09 -0.46 0.04 0.00 0.00 177.00 176.20 1mjf s TRP 230 N -2.80 3.32 0.18 0.56 -0.11 -0.49 -1.93 118.94 117.68 1mjf s TRP 230 Ca 0.52 0.25 -0.04 0.00 1.22 0.00 0.00 56.10 58.05 1mjf s TRP 230 Cb -0.10 -1.77 -0.05 0.00 -1.50 0.00 0.00 33.47 30.04 1mjf s TRP 230 CO 0.42 0.57 0.41 0.00 -4.62 0.00 0.00 176.95 173.73 1mjf s ALA 231 N -1.15 3.76 0.01 5.86 0.00 0.43 -1.48 121.76 129.20 1mjf s ALA 231 Ca 0.21 -0.60 0.01 0.00 0.00 0.00 0.00 51.96 51.58 1mjf s ALA 231 Cb -0.12 -2.14 -0.01 0.00 0.00 0.00 0.00 23.12 20.85 1mjf s ALA 231 CO 0.12 0.55 -0.04 -0.06 0.00 0.00 0.00 175.76 176.33 1mjf s PHE 232 N -1.78 0.31 0.05 0.00 0.40 -0.38 -0.63 117.98 115.96 1mjf s PHE 232 Ca 0.41 -0.19 0.09 0.00 -0.60 0.00 0.00 56.93 56.64 1mjf s PHE 232 Cb -0.12 -0.20 -0.03 0.00 0.51 0.00 0.00 43.02 43.19 1mjf s PHE 232 CO 0.26 -0.04 -0.24 -0.51 0.70 0.00 0.00 175.22 175.39 1mjf s LEU 233 N -0.51 2.18 -0.08 -0.37 1.43 -0.41 -1.66 118.68 119.27 1mjf s LEU 233 Ca -0.03 -0.58 0.01 0.00 -1.03 0.00 0.00 54.13 52.50 1mjf s LEU 233 Cb -0.04 -1.13 0.02 0.00 0.03 0.00 0.00 46.19 45.07 1mjf s LEU 233 CO -0.00 0.20 -0.08 -0.69 0.23 0.00 0.00 176.35 176.01 1mjf s VAL 234 N -0.84 0.91 -0.07 -1.59 1.01 -0.05 -1.40 120.40 118.37 1mjf s VAL 234 Ca 0.10 -0.29 0.01 0.00 0.00 0.00 0.00 61.98 61.80 1mjf s VAL 234 Cb -0.09 -0.91 -0.03 0.00 0.00 0.00 0.00 36.38 35.35 1mjf s VAL 234 CO 0.02 0.33 -0.08 -0.83 0.00 0.00 0.00 175.10 174.54 1mjf s GLY 235 N 1.22 1.66 -0.02 4.51 0.00 -0.36 -0.88 107.32 113.46 1mjf s GLY 235 Ca -0.05 -0.90 0.07 0.00 0.00 0.00 0.00 44.72 43.83 1mjf s GLY 235 CO -0.02 -0.66 -0.21 0.14 0.00 0.00 0.00 173.10 172.34 1mjf s VAL 236 N -0.75 1.67 -0.21 1.40 1.01 -0.55 -0.31 120.40 122.66 1mjf s VAL 236 Ca 0.11 -0.90 0.01 0.00 0.00 0.00 0.00 61.98 61.20 1mjf s VAL 236 Cb -0.11 -1.39 0.03 0.00 0.00 0.00 0.00 36.38 34.91 1mjf s VAL 236 CO 0.01 0.47 -0.14 -0.75 0.00 0.00 0.00 175.10 174.69 1mjf s LYS 237 N -0.49 2.82 1.86 2.72 2.20 -1.02 -1.74 119.74 126.07 1mjf s LYS 237 Ca 0.08 -0.96 0.00 0.00 -0.36 0.00 0.00 55.97 54.73 1mjf s LYS 237 Cb -0.08 -2.75 0.00 0.00 -1.51 0.00 0.00 37.83 33.49 1mjf s LYS 237 CO -0.01 -0.33 0.00 0.41 -0.36 0.00 0.00 175.35 175.07 1mjf n GLY 238 N 4.60 -0.30 2.92 5.54 0.00 -1.26 -1.29 105.19 115.39 1mjf n GLY 238 Ca -0.18 -1.39 -0.43 0.00 0.00 0.00 0.00 46.02 44.02 1mjf n GLY 238 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1mjf n ASP 239 N 0.61 6.33 -4.12 1.61 2.03 -1.26 -4.92 116.55 116.83 1mjf n ASP 239 Ca 0.00 -3.38 -0.32 0.00 0.52 0.00 0.00 54.79 51.61 1mjf n ASP 239 Cb 0.00 -1.30 -0.16 0.00 -0.72 0.00 0.00 41.12 38.93 1mjf n ASP 239 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1mjf s ILE 240 N -2.30 1.94 -0.50 5.18 1.01 -1.26 -5.00 121.20 120.28 1mjf s ILE 240 Ca 0.34 -0.89 -0.18 0.00 0.00 0.00 0.00 60.65 59.92 1mjf s ILE 240 Cb 0.08 -1.74 0.07 0.00 0.01 0.00 0.00 42.46 40.87 1mjf s ILE 240 CO 0.06 0.52 0.55 -0.62 0.00 0.00 0.00 174.94 175.45 1mjf s ASP 241 N 1.06 6.20 0.03 3.58 2.15 -1.26 -4.95 116.67 123.47 1mjf s ASP 241 Ca -0.02 -1.08 0.16 0.00 0.43 0.00 0.00 52.55 52.04 1mjf s ASP 241 Cb -0.14 -2.25 0.69 0.00 -0.30 0.00 0.00 42.92 40.91 1mjf s ASP 241 CO -0.06 -0.82 1.52 0.33 -0.17 0.00 0.00 175.17 175.97 1mjf n PHE 242 N 5.84 0.10 1.42 -5.34 7.35 -1.26 -1.96 117.46 123.60 1mjf n PHE 242 Ca -0.09 0.04 0.15 0.00 -0.76 0.00 0.00 57.45 56.79 1mjf n PHE 242 Cb 0.45 -0.56 0.74 0.00 0.35 0.00 0.00 39.48 40.46 1mjf n PHE 242 CO 0.00 0.00 0.00 0.25 -0.76 0.00 0.00 176.76 176.25 1mjf n THR 243 N -1.59 0.00 -5.22 -2.13 -2.24 -1.26 -4.77 114.28 97.08 1mjf n THR 243 Ca 0.04 -0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.50 1mjf n THR 243 Cb 0.19 -0.46 -0.16 0.00 -2.10 0.00 0.00 70.33 67.80 1mjf n THR 243 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1mjf s LYS 244 N -2.57 2.32 0.15 -0.78 1.02 -0.83 -4.82 119.74 114.23 1mjf s LYS 244 Ca 0.28 -0.88 0.05 0.00 0.02 0.00 0.00 55.97 55.45 1mjf s LYS 244 Cb 0.20 -2.14 -0.04 0.00 -0.52 0.00 0.00 37.83 35.33 1mjf s LYS 244 CO 0.46 0.51 -0.12 0.96 -0.92 0.00 0.00 175.35 176.25 1mjf s ILE 245 N -0.48 1.31 -0.65 2.17 -5.25 -1.26 -4.45 121.20 112.59 1mjf s ILE 245 Ca 0.06 -1.96 -0.27 0.00 -0.99 0.00 0.00 60.65 57.49 1mjf s ILE 245 Cb -0.11 -1.76 0.00 0.00 2.95 0.00 0.00 42.46 43.54 1mjf s ILE 245 CO 0.01 -0.61 1.58 -0.62 -1.79 0.00 0.00 174.94 173.51 1mjf s ASP 246 N -2.94 5.73 0.24 4.36 -1.08 -0.81 -4.88 116.67 117.30 1mjf s ASP 246 Ca 0.15 0.06 -0.05 0.00 -0.52 0.00 0.00 52.55 52.19 1mjf s ASP 246 Cb -0.01 -2.54 0.26 0.00 -1.46 0.00 0.00 42.92 39.17 1mjf s ASP 246 CO 0.02 -2.07 1.83 0.03 0.52 0.00 0.00 175.17 175.51 1mjf h ARG 247 N 12.55 1.14 -0.36 4.34 3.08 -1.95 -2.41 114.38 130.76 1mjf h ARG 247 Ca -0.27 -0.17 -0.08 0.00 0.07 0.00 0.00 59.98 59.52 1mjf h ARG 247 Cb 1.11 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.95 1mjf h ARG 247 CO 1.23 0.88 -0.10 1.49 -1.07 0.00 0.00 179.97 182.40 1mjf h GLU 248 N 1.12 0.71 -0.49 0.04 4.57 -2.01 -2.41 114.58 116.12 1mjf h GLU 248 Ca 0.27 -0.28 -0.05 0.00 -1.18 0.00 0.00 59.36 58.12 1mjf h GLU 248 Cb 0.14 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.67 1mjf h GLU 248 CO -0.03 0.87 0.10 0.00 -1.18 0.00 0.00 179.01 178.78 1mjf h ARG 249 N 0.51 0.74 -0.19 1.92 3.08 -1.97 -2.97 114.38 115.49 1mjf h ARG 249 Ca 0.09 -0.15 -0.03 0.00 0.07 0.00 0.00 59.98 59.96 1mjf h ARG 249 Cb 0.62 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.54 1mjf h ARG 249 CO 0.04 0.68 -0.02 0.00 -1.07 0.00 0.00 179.97 179.60 1mjf h ALA 250 N 1.40 1.63 0.00 0.04 0.00 -1.03 -2.62 119.26 118.68 1mjf h ALA 250 Ca 0.16 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1mjf h ALA 250 Cb 0.29 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1mjf h ALA 250 CO -0.00 0.28 0.00 0.87 0.00 0.00 0.00 179.25 180.40 1mjf h LYS 251 N 0.27 0.00 0.00 0.00 1.57 -1.27 -2.90 116.57 114.23 1mjf h LYS 251 Ca 0.06 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1mjf h LYS 251 Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.53 1mjf h LYS 251 CO 0.01 0.00 -0.69 1.63 -0.57 0.00 0.00 179.45 179.82 1mjf n LYS 252 N -2.62 0.24 -2.63 3.15 5.02 -0.99 -4.90 118.16 115.44 1mjf n LYS 252 Ca 0.02 0.05 -0.35 0.00 -2.02 0.00 0.00 58.31 56.01 1mjf n LYS 252 Cb 0.32 -1.63 -0.05 0.00 -0.02 0.00 0.00 35.03 33.65 1mjf n LYS 252 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1mjf s LEU 253 N -3.92 4.08 -0.41 -0.35 1.43 -1.10 -5.02 118.68 113.39 1mjf s LEU 253 Ca 0.07 1.93 -0.20 0.00 -1.03 0.00 0.00 54.13 54.89 1mjf s LEU 253 Cb 0.14 -4.29 0.01 0.00 0.03 0.00 0.00 46.19 42.09 1mjf s LEU 253 CO 0.73 -0.46 0.59 0.00 0.23 0.00 0.00 176.35 177.45 1mjf s GLN 254 N -2.68 3.38 0.00 1.70 0.00 -1.26 -5.06 119.66 115.74 1mjf s GLN 254 Ca 0.59 -0.32 0.04 0.00 -0.00 0.00 0.00 55.36 55.67 1mjf s GLN 254 Cb -0.18 -3.90 -0.01 0.00 0.00 0.00 0.00 33.01 28.91 1mjf s GLN 254 CO 0.23 -0.88 -0.12 -0.51 0.00 0.00 0.00 175.29 174.01 1mjf s LEU 255 N 2.63 2.05 -0.02 2.60 1.43 -1.26 -5.04 118.68 121.07 1mjf s LEU 255 Ca 0.21 -0.27 0.10 0.00 -1.03 0.00 0.00 54.13 53.14 1mjf s LEU 255 Cb -0.15 -0.62 -0.15 0.00 0.03 0.00 0.00 46.19 45.31 1mjf s LEU 255 CO 0.17 0.12 0.19 -0.62 0.23 0.00 0.00 176.35 176.44 1mjf n GLU 256 N 2.60 0.59 0.04 1.70 4.71 -1.26 -4.95 120.64 124.07 1mjf n GLU 256 Ca -0.15 -0.08 0.00 0.00 -0.01 0.00 0.00 57.16 56.92 1mjf n GLU 256 Cb 0.56 -1.23 0.00 0.00 -1.01 0.00 0.00 31.44 29.75 1mjf n GLU 256 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 1mjf n TYR 257 N -1.90 -0.14 -2.08 -0.32 4.01 -1.26 -5.01 117.16 110.45 1mjf n TYR 257 Ca -0.03 0.02 -0.42 0.00 -0.16 0.00 0.00 57.90 57.31 1mjf n TYR 257 Cb 0.33 0.05 -0.03 0.00 -0.31 0.00 0.00 39.34 39.37 1mjf n TYR 257 CO 0.00 0.00 0.00 -0.47 -0.46 0.00 0.00 176.86 175.93 1mjf s TYR 258 N -1.64 3.14 -0.65 -0.72 6.04 -1.26 -4.98 117.35 117.28 1mjf s TYR 258 Ca 0.00 0.96 0.03 0.00 0.04 0.00 0.00 57.07 58.10 1mjf s TYR 258 Cb 0.00 -3.76 0.16 0.00 -1.04 0.00 0.00 41.96 37.32 1mjf s TYR 258 CO 0.00 -2.58 0.43 0.34 -1.54 0.00 0.00 175.55 172.20 1mjf s ASP 259 N 0.73 4.79 0.51 4.32 -1.08 -1.26 -4.90 116.67 119.79 1mjf s ASP 259 Ca 0.62 -3.42 0.18 0.00 -0.52 0.00 0.00 52.55 49.41 1mjf s ASP 259 Cb -0.40 -1.69 1.29 0.00 -1.46 0.00 0.00 42.92 40.67 1mjf s ASP 259 CO 0.36 -0.18 2.13 1.55 0.52 0.00 0.00 175.17 179.55 1mjf h PRO 260 N 6.05 0.00 0.00 4.34 0.13 -1.94 -0.44 132.00 140.14 1mjf h PRO 260 Ca 0.04 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.17 1mjf h PRO 260 Cb 0.83 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.96 1mjf h PRO 260 CO 0.72 0.04 0.00 -0.07 -0.23 0.00 0.00 178.00 178.46 1mjf h LEU 261 N 0.00 0.00 -4.25 1.56 4.07 -1.95 -2.02 115.31 112.71 1mjf h LEU 261 Ca -0.00 0.00 -0.62 0.00 0.08 0.00 0.00 57.88 57.34 1mjf h LEU 261 Cb 0.07 0.00 -0.38 0.00 1.08 0.00 0.00 40.66 41.43 1mjf h LEU 261 CO 0.01 0.00 -0.24 0.23 -1.08 0.00 0.00 178.44 177.35 1mjf n MET 262 N -2.83 3.28 0.03 1.13 2.81 -0.18 -4.88 117.12 116.47 1mjf n MET 262 Ca 0.00 -4.06 0.08 0.00 -1.81 0.00 0.00 57.70 51.92 1mjf n MET 262 Cb 0.23 -2.27 0.50 0.00 -0.71 0.00 0.00 33.22 30.98 1mjf n MET 262 CO 0.00 0.00 0.00 1.25 1.51 0.00 0.00 175.97 178.73 1mjf h HIS 263 N 2.42 0.36 -0.03 2.03 6.17 -1.25 -1.95 115.15 122.90 1mjf h HIS 263 Ca 0.41 0.01 0.01 0.00 0.71 0.00 0.00 60.37 61.51 1mjf h HIS 263 Cb 0.98 -0.12 -0.00 0.00 2.52 0.00 0.00 27.41 30.79 1mjf h HIS 263 CO 0.98 0.21 0.03 1.05 0.71 0.00 0.00 177.93 180.91 1mjf h GLU 264 N 0.37 0.00 0.00 5.26 9.09 -1.87 -1.42 114.58 126.02 1mjf h GLU 264 Ca 0.16 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.57 1mjf h GLU 264 Cb 0.19 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.29 1mjf h GLU 264 CO -0.04 0.00 0.00 0.25 0.05 0.00 0.00 179.01 179.27 1mjf n THR 265 N -4.04 0.63 -0.19 -1.06 -2.24 -0.73 -3.39 114.28 103.26 1mjf n THR 265 Ca -0.02 -0.27 0.22 0.00 -2.27 0.00 0.00 64.05 61.70 1mjf n THR 265 Cb 0.12 -0.61 0.59 0.00 -2.10 0.00 0.00 70.33 68.34 1mjf n THR 265 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1mjf h LEU 266 N 0.00 0.24 -1.41 3.22 5.85 -1.36 -2.87 115.31 118.98 1mjf h LEU 266 Ca 0.00 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.74 1mjf h LEU 266 Cb 0.73 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.74 1mjf h LEU 266 CO 0.00 0.10 0.00 0.49 -0.34 0.00 0.00 178.44 178.69 1mjf n PHE 267 N -4.42 0.45 -1.71 1.25 3.72 -1.22 -2.96 117.46 112.57 1mjf n PHE 267 Ca 0.17 -0.17 -0.43 0.00 -0.05 0.00 0.00 57.45 56.98 1mjf n PHE 267 Cb 0.74 -0.16 -0.02 0.00 -0.94 0.00 0.00 39.48 39.11 1mjf n PHE 267 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 176.76 177.65 1mjf n GLN 268 N 0.13 2.45 -3.64 -1.08 7.27 -1.09 -4.81 117.38 116.60 1mjf n GLN 268 Ca 0.07 0.87 -0.06 0.00 0.07 0.00 0.00 57.00 57.95 1mjf n GLN 268 Cb 0.41 -2.62 -0.07 0.00 2.41 0.00 0.00 30.24 30.37 1mjf n GLN 268 CO 0.00 0.00 0.00 1.41 0.07 0.00 0.00 177.06 178.54 1mjf s MET 269 N -0.21 0.64 0.30 3.69 1.75 -1.26 -3.47 119.30 120.74 1mjf s MET 269 Ca 0.67 1.14 -0.27 0.00 -1.25 0.00 0.00 55.69 55.99 1mjf s MET 269 Cb -0.56 0.19 -0.14 0.00 2.84 0.00 0.00 34.83 37.16 1mjf s MET 269 CO 0.47 -0.14 0.85 -2.30 -0.65 0.00 0.00 175.02 173.25 1mjf n PRO 270 N 4.32 0.98 -0.24 4.11 -0.02 -1.26 -4.67 135.00 138.22 1mjf n PRO 270 Ca -0.19 0.35 -0.00 0.00 -2.02 0.00 0.00 63.50 61.64 1mjf n PRO 270 Cb 0.58 -1.64 0.12 0.00 -0.02 0.00 0.00 33.50 32.53 1mjf n PRO 270 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1mjf h LYS 271 N 1.61 0.65 -0.11 -0.52 3.64 -2.01 -1.81 116.57 118.02 1mjf h LYS 271 Ca -0.38 -0.04 -0.09 0.00 -1.27 0.00 0.00 60.65 58.88 1mjf h LYS 271 Cb 1.37 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 33.03 1mjf h LYS 271 CO 0.58 0.43 -0.33 0.10 -2.27 0.00 0.00 179.45 177.96 1mjf h TYR 272 N 0.67 0.25 -0.15 1.91 -0.00 -2.00 -1.20 116.97 116.45 1mjf h TYR 272 Ca 0.33 -0.06 -0.18 0.00 0.00 0.00 0.00 58.73 58.82 1mjf h TYR 272 Cb 0.27 -0.06 0.01 0.00 0.00 0.00 0.00 36.73 36.95 1mjf h TYR 272 CO -0.09 0.53 -0.62 0.82 -0.00 0.00 0.00 178.16 178.81 1mjf h ILE 273 N 0.20 1.32 -0.55 -0.90 2.04 -1.72 -2.42 117.51 115.48 1mjf h ILE 273 Ca 0.03 -1.86 0.05 0.00 1.00 0.00 0.00 64.86 64.07 1mjf h ILE 273 Cb 0.69 2.03 -0.05 0.00 -0.74 0.00 0.00 36.82 38.74 1mjf h ILE 273 CO 0.05 0.58 0.28 -0.09 0.00 0.00 0.00 178.15 178.97 1mjf h ARG 274 N 0.36 0.52 -0.63 2.37 2.43 -0.94 -2.15 114.38 116.34 1mjf h ARG 274 Ca -0.04 -0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 59.06 1mjf h ARG 274 Cb 1.25 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 30.65 1mjf h ARG 274 CO 0.13 0.34 0.20 0.93 -1.51 0.00 0.00 179.97 180.06 1mjf h GLU 275 N 0.54 0.96 -0.47 0.20 5.08 -1.20 -2.61 114.58 117.08 1mjf h GLU 275 Ca 0.25 -0.19 -0.10 0.00 -1.00 0.00 0.00 59.36 58.32 1mjf h GLU 275 Cb 0.16 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 1mjf h GLU 275 CO -0.17 0.82 -0.12 1.15 -1.00 0.00 0.00 179.01 179.69 1mjf h THR 276 N 0.93 1.26 0.00 1.13 2.02 -1.18 -3.00 112.91 114.08 1mjf h THR 276 Ca 0.21 -1.23 -0.05 0.00 0.77 0.00 0.00 66.41 66.12 1mjf h THR 276 Cb 0.26 1.03 -0.01 0.00 -1.74 0.00 0.00 68.15 67.69 1mjf h THR 276 CO -0.01 0.42 -0.22 -0.07 0.37 0.00 0.00 175.52 176.01 1mjf h LEU 277 N 0.78 0.00 -0.78 2.58 3.38 -1.02 -3.52 115.31 116.73 1mjf h LEU 277 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1mjf h LEU 277 Cb 0.64 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.39 1mjf h LEU 277 CO 0.04 0.22 0.00 0.00 0.09 0.00 0.00 178.44 178.80