#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ist s GLN 3 N 0.00 1.73 0.47 1.64 -0.21 -1.26 -5.08 119.66 116.95 3ist s GLN 3 Ca 0.00 -1.27 -0.05 0.00 0.02 0.00 0.00 55.36 54.06 3ist s GLN 3 Cb 0.00 -2.05 -0.04 0.00 1.00 0.00 0.00 33.01 31.93 3ist s GLN 3 CO 0.00 0.46 0.77 0.00 -2.12 0.00 0.00 175.29 174.40 3ist s ALA 4 N -1.30 3.42 -0.12 6.09 0.00 -1.08 -4.63 121.76 124.14 3ist s ALA 4 Ca 0.19 -0.53 -0.23 0.00 0.00 0.00 0.00 51.96 51.39 3ist s ALA 4 Cb -0.10 -2.56 -0.03 0.00 0.00 0.00 0.00 23.12 20.44 3ist s ALA 4 CO 0.10 -0.33 0.70 0.42 0.00 0.00 0.00 175.76 176.65 3ist s ILE 5 N -2.71 5.01 0.12 0.00 1.01 0.40 -1.01 121.20 124.02 3ist s ILE 5 Ca 0.47 1.40 -0.15 0.00 0.00 0.00 0.00 60.65 62.37 3ist s ILE 5 Cb -0.10 -4.03 -0.07 0.00 0.01 0.00 0.00 42.46 38.27 3ist s ILE 5 CO 0.44 0.17 0.53 -0.83 0.00 0.00 0.00 174.94 175.25 3ist s GLY 6 N 0.97 2.48 -0.06 6.18 0.00 -1.26 -1.30 107.32 114.32 3ist s GLY 6 Ca 0.35 -0.14 0.01 0.00 0.00 0.00 0.00 44.72 44.94 3ist s GLY 6 CO 0.14 0.16 -0.08 -1.36 0.00 0.00 0.00 173.10 171.96 3ist s PHE 7 N -1.39 1.15 0.07 1.90 0.08 0.60 -0.53 117.98 119.86 3ist s PHE 7 Ca 0.35 -0.42 0.10 0.00 0.12 0.00 0.00 56.93 57.08 3ist s PHE 7 Cb -0.16 -0.92 -0.03 0.00 -0.57 0.00 0.00 43.02 41.34 3ist s PHE 7 CO 0.19 -0.28 -0.26 0.96 -0.10 0.00 0.00 175.22 175.73 3ist s ILE 8 N 0.95 2.15 0.16 0.64 -4.36 -0.53 -0.71 121.20 119.50 3ist s ILE 8 Ca -0.10 -1.48 -0.22 0.00 -0.26 0.00 0.00 60.65 58.59 3ist s ILE 8 Cb -0.15 -1.85 0.06 0.00 1.25 0.00 0.00 42.46 41.77 3ist s ILE 8 CO 0.00 0.29 0.57 -0.62 0.24 0.00 0.00 174.94 175.42 3ist s ASP 9 N -1.45 -0.50 0.15 4.36 2.15 -0.40 -0.98 116.67 120.00 3ist s ASP 9 Ca 0.12 -0.08 0.23 0.00 0.43 0.00 0.00 52.55 53.26 3ist s ASP 9 Cb -0.10 0.58 0.91 0.00 -0.30 0.00 0.00 42.92 44.01 3ist s ASP 9 CO 0.03 -0.96 1.72 -1.54 -0.17 0.00 0.00 175.17 174.25 3ist n SER 10 N -0.36 0.47 0.00 -0.34 3.41 -1.26 -0.83 113.62 114.71 3ist n SER 10 Ca -0.16 0.58 0.00 0.00 -0.26 0.00 0.00 58.87 59.03 3ist n SER 10 Cb 0.65 -0.69 0.00 0.00 -0.26 0.00 0.00 64.21 63.90 3ist n SER 10 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ist n GLY 11 N 0.63 2.14 0.00 5.00 0.00 -1.26 -2.20 105.19 109.50 3ist n GLY 11 Ca 0.04 0.12 0.09 0.00 0.00 0.00 0.00 46.02 46.27 3ist n GLY 11 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3ist n VAL 12 N 0.00 0.00 -0.32 1.61 0.24 -1.26 -4.43 118.33 114.17 3ist n VAL 12 Ca 0.00 -0.14 0.13 0.00 -2.04 0.00 0.00 64.34 62.30 3ist n VAL 12 Cb 0.00 0.78 0.36 0.00 -1.47 0.00 0.00 33.84 33.52 3ist n VAL 12 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 3ist h GLY 13 N 4.37 1.46 2.00 7.63 0.00 -1.91 -1.69 103.07 114.93 3ist h GLY 13 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 47.33 47.01 3ist h GLY 13 CO 0.00 0.01 0.00 -1.33 0.00 0.00 0.00 176.54 175.22 3ist h GLY 14 N 0.71 0.00 2.00 4.60 0.00 -1.79 -0.63 103.07 107.96 3ist h GLY 14 Ca 0.52 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.84 3ist h GLY 14 CO -0.29 0.00 -0.04 1.41 0.00 0.00 0.00 176.54 177.62 3ist h LEU 15 N 0.00 0.00 -1.29 3.11 3.38 -1.62 -0.76 115.31 118.14 3ist h LEU 15 Ca 0.00 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 3ist h LEU 15 Cb 0.19 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 3ist h LEU 15 CO 0.00 0.04 -0.23 0.71 0.09 0.00 0.00 178.44 179.05 3ist h THR 16 N 0.00 0.64 0.01 0.22 1.35 -1.31 -0.46 112.91 113.35 3ist h THR 16 Ca -0.00 -1.06 -0.19 0.00 -0.55 0.00 0.00 66.41 64.61 3ist h THR 16 Cb 0.28 1.69 0.02 0.00 -1.73 0.00 0.00 68.15 68.41 3ist h THR 16 CO 0.01 0.23 -0.76 0.58 -0.25 0.00 0.00 175.52 175.32 3ist h VAL 17 N 0.00 1.38 -0.84 6.82 2.07 -1.33 -3.18 116.25 121.17 3ist h VAL 17 Ca -0.00 -2.16 0.10 0.00 0.82 0.00 0.00 66.70 65.46 3ist h VAL 17 Cb 0.67 2.56 -0.07 0.00 -1.52 0.00 0.00 31.29 32.93 3ist h VAL 17 CO 0.03 0.64 0.49 0.58 0.02 0.00 0.00 177.57 179.33 3ist h VAL 18 N 0.04 0.91 -1.00 2.57 2.07 -1.19 -1.48 116.25 118.18 3ist h VAL 18 Ca -0.10 -0.28 0.10 0.00 0.82 0.00 0.00 66.70 67.24 3ist h VAL 18 Cb 1.46 0.02 -0.08 0.00 -1.52 0.00 0.00 31.29 31.17 3ist h VAL 18 CO 0.15 0.15 0.64 -0.09 0.02 0.00 0.00 177.57 178.44 3ist h ARG 19 N 0.82 1.03 0.00 1.57 2.43 -1.07 0.63 114.38 119.79 3ist h ARG 19 Ca 0.41 -0.06 -0.15 0.00 -0.81 0.00 0.00 59.98 59.36 3ist h ARG 19 Cb 0.37 -0.23 -0.02 0.00 -0.42 0.00 0.00 29.97 29.67 3ist h ARG 19 CO -0.25 0.68 -0.74 0.93 -1.51 0.00 0.00 179.97 179.09 3ist h GLU 20 N 1.06 0.00 -0.52 0.20 4.39 -1.33 -2.72 114.58 115.66 3ist h GLU 20 Ca 0.47 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 60.07 3ist h GLU 20 Cb 0.37 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.00 3ist h GLU 20 CO -0.23 0.74 -0.05 0.28 -1.16 0.00 0.00 179.01 178.59 3ist h VAL 21 N 0.00 1.27 -0.79 3.13 2.07 -0.37 -0.26 116.25 121.29 3ist h VAL 21 Ca -0.01 -1.17 0.02 0.00 0.82 0.00 0.00 66.70 66.36 3ist h VAL 21 Cb 1.33 0.97 -0.04 0.00 -1.52 0.00 0.00 31.29 32.03 3ist h VAL 21 CO 0.10 0.41 0.52 -0.07 0.02 0.00 0.00 177.57 178.55 3ist h LEU 22 N 0.81 0.87 -0.03 2.57 3.38 -0.77 0.11 115.31 122.25 3ist h LEU 22 Ca 0.14 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 3ist h LEU 22 Cb 0.59 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.13 3ist h LEU 22 CO 0.04 0.62 -0.05 0.11 0.09 0.00 0.00 178.44 179.25 3ist h LYS 23 N 1.03 0.09 0.00 1.13 1.57 -1.21 -3.29 116.57 115.89 3ist h LYS 23 Ca 0.30 -0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.97 3ist h LYS 23 Cb -0.05 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 3ist h LYS 23 CO -0.07 0.61 -0.71 1.96 -0.57 0.00 0.00 179.45 180.66 3ist h GLN 24 N -0.43 0.00 -2.09 3.15 4.20 -0.89 -3.38 115.11 115.68 3ist h GLN 24 Ca 0.00 0.00 -0.52 0.00 0.06 0.00 0.00 58.65 58.19 3ist h GLN 24 Cb 0.60 0.00 -0.41 0.00 0.30 0.00 0.00 27.48 27.98 3ist h GLN 24 CO 0.01 0.16 -1.01 1.28 -0.67 0.00 0.00 178.83 178.61 3ist n LEU 25 N -2.95 1.92 0.28 1.46 4.77 0.35 -4.96 117.00 117.87 3ist n LEU 25 Ca -0.00 -5.19 0.19 0.00 -0.03 0.00 0.00 56.01 50.98 3ist n LEU 25 Cb 0.64 0.29 0.97 0.00 -2.33 0.00 0.00 43.42 42.99 3ist n LEU 25 CO 0.39 2.28 1.07 1.55 -1.33 0.00 0.00 177.39 181.35 3ist h PRO 26 N 3.15 0.00 -0.00 3.23 0.13 -1.71 -1.44 132.00 135.37 3ist h PRO 26 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 3ist h PRO 26 Cb 0.82 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.95 3ist h PRO 26 CO 0.60 0.00 -0.03 0.72 -0.23 0.00 0.00 178.00 179.06 3ist n HIS 27 N -2.89 0.00 -3.97 1.56 8.25 -1.26 -4.63 115.22 112.28 3ist n HIS 27 Ca -0.02 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.08 3ist n HIS 27 Cb 0.12 -0.35 -0.07 0.00 1.12 0.00 0.00 29.99 30.81 3ist n HIS 27 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 3ist s GLU 28 N -2.73 3.53 0.28 -0.41 0.41 -0.54 -4.41 118.70 114.83 3ist s GLU 28 Ca 0.23 -0.23 -0.26 0.00 -0.41 0.00 0.00 54.97 54.30 3ist s GLU 28 Cb 0.20 -3.15 -0.09 0.00 -1.78 0.00 0.00 34.13 29.31 3ist s GLU 28 CO 0.50 0.63 0.91 -1.14 -0.49 0.00 0.00 175.26 175.66 3ist s GLN 29 N -0.62 4.61 -0.10 1.61 0.74 -1.26 -4.96 119.66 119.68 3ist s GLN 29 Ca 0.12 1.30 0.01 0.00 0.05 0.00 0.00 55.36 56.85 3ist s GLN 29 Cb -0.12 -2.95 -0.02 0.00 1.10 0.00 0.00 33.01 31.02 3ist s GLN 29 CO 0.02 0.37 -0.14 0.54 -0.55 0.00 0.00 175.29 175.53 3ist s VAL 30 N -1.47 2.97 -0.17 1.34 0.11 -1.26 -0.45 120.40 121.47 3ist s VAL 30 Ca 0.46 -0.71 0.01 0.00 -2.93 0.00 0.00 61.98 58.81 3ist s VAL 30 Cb -0.20 -2.21 0.02 0.00 -1.53 0.00 0.00 36.38 32.45 3ist s VAL 30 CO 0.25 0.55 -0.19 -0.31 -3.33 0.00 0.00 175.10 172.07 3ist s TYR 31 N 0.00 2.66 -0.08 1.54 1.51 -0.42 -1.13 117.35 121.43 3ist s TYR 31 Ca -0.04 -1.53 0.04 0.00 -1.01 0.00 0.00 57.07 54.52 3ist s TYR 31 Cb -0.14 -1.85 0.00 0.00 -0.11 0.00 0.00 41.96 39.86 3ist s TYR 31 CO 0.04 -0.76 -0.21 -0.47 -1.11 0.00 0.00 175.55 173.05 3ist s TYR 32 N 1.25 2.21 -0.15 2.71 5.04 -0.40 -0.29 117.35 127.72 3ist s TYR 32 Ca 0.03 -0.83 0.00 0.00 -2.44 0.00 0.00 57.07 53.83 3ist s TYR 32 Cb -0.13 -1.49 0.03 0.00 0.35 0.00 0.00 41.96 40.71 3ist s TYR 32 CO -0.11 -0.33 -0.11 -1.17 -1.34 0.00 0.00 175.55 172.48 3ist s LEU 33 N 0.31 1.62 -0.23 6.97 2.96 0.12 -0.16 118.68 130.26 3ist s LEU 33 Ca -0.14 -0.50 -0.04 0.00 -0.22 0.00 0.00 54.13 53.23 3ist s LEU 33 Cb -0.16 -1.08 -0.01 0.00 0.50 0.00 0.00 46.19 45.44 3ist s LEU 33 CO 0.06 -0.09 -0.02 -0.83 -1.32 0.00 0.00 176.35 174.15 3ist s GLY 34 N 1.55 1.64 -1.16 7.98 0.00 -0.13 -1.28 107.32 115.92 3ist s GLY 34 Ca 0.04 -1.20 -0.06 0.00 0.00 0.00 0.00 44.72 43.50 3ist s GLY 34 CO -0.10 0.46 2.57 1.34 0.00 0.00 0.00 173.10 177.38 3ist n ASP 35 N 4.81 7.77 0.29 1.64 2.03 -0.01 -2.68 116.55 130.39 3ist n ASP 35 Ca -0.18 -3.06 0.14 0.00 0.52 0.00 0.00 54.79 52.22 3ist n ASP 35 Cb 0.50 -1.36 0.88 0.00 -0.72 0.00 0.00 41.12 40.42 3ist n ASP 35 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 3ist h THR 36 N 2.52 0.60 0.00 5.18 1.35 -1.74 -0.97 112.91 119.85 3ist h THR 36 Ca 0.65 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 66.50 3ist h THR 36 Cb 0.42 1.00 -0.00 0.00 -1.73 0.00 0.00 68.15 67.83 3ist h THR 36 CO 1.36 0.00 -0.07 0.00 -0.25 0.00 0.00 175.52 176.56 3ist h ALA 37 N 2.00 1.06 -0.06 6.62 0.00 -1.84 -3.06 119.26 123.99 3ist h ALA 37 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3ist h ALA 37 Cb 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3ist h ALA 37 CO -0.00 0.09 0.00 0.54 0.00 0.00 0.00 179.25 179.88 3ist n ARG 38 N -3.26 2.72 -2.62 0.00 1.74 -0.39 -5.04 116.66 109.81 3ist n ARG 38 Ca -0.01 -1.53 -0.34 0.00 -0.77 0.00 0.00 57.85 55.20 3ist n ARG 38 Cb 0.28 -1.04 -0.05 0.00 -1.02 0.00 0.00 32.46 30.63 3ist n ARG 38 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3ist s PRO 40 N -3.00 3.84 0.01 0.00 0.04 -1.26 -5.05 135.00 129.58 3ist s PRO 40 Ca 0.63 0.91 0.11 0.00 0.04 0.00 0.00 61.00 62.68 3ist s PRO 40 Cb -0.16 -2.12 -0.22 0.00 0.04 0.00 0.00 34.50 32.04 3ist s PRO 40 CO 0.20 -0.37 0.88 1.88 0.04 0.00 0.00 177.00 179.63 3ist h TYR 41 N 0.57 0.00 -0.94 0.56 -1.99 -1.94 -3.41 116.97 109.82 3ist h TYR 41 Ca -0.46 0.00 0.29 0.00 2.00 0.00 0.00 58.73 60.56 3ist h TYR 41 Cb 1.19 0.00 -0.16 0.00 2.00 0.00 0.00 36.73 39.76 3ist h TYR 41 CO 0.64 0.99 0.32 0.78 -0.00 0.00 0.00 178.16 180.90 3ist h GLY 42 N 3.34 1.63 0.85 3.88 0.00 -1.95 0.19 103.07 111.02 3ist h GLY 42 Ca -0.19 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.08 3ist h GLY 42 CO 0.10 -0.48 -0.06 -1.05 0.00 0.00 0.00 176.54 175.04 3ist n PRO 43 N -5.23 0.83 -2.11 4.80 -0.02 -1.26 -4.72 135.00 127.28 3ist n PRO 43 Ca 0.26 -0.24 -0.29 0.00 -2.02 0.00 0.00 63.50 61.22 3ist n PRO 43 Cb 0.85 -1.50 0.03 0.00 -0.02 0.00 0.00 33.50 32.87 3ist n PRO 43 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3ist s ARG 44 N -2.34 3.05 0.28 -0.52 0.52 0.68 -5.03 118.95 115.59 3ist s ARG 44 Ca 0.34 0.33 -0.30 0.00 -0.52 0.00 0.00 55.73 55.58 3ist s ARG 44 Cb 0.21 -2.14 -0.13 0.00 0.52 0.00 0.00 34.95 33.41 3ist s ARG 44 CO 0.44 -0.79 1.44 -3.47 0.02 0.00 0.00 175.30 172.94 3ist n ASP 45 N -2.77 3.08 -0.26 0.23 -0.08 -1.26 -4.75 116.55 110.74 3ist n ASP 45 Ca 0.05 1.16 0.03 0.00 -1.51 0.00 0.00 54.79 54.52 3ist n ASP 45 Cb 0.57 -1.49 0.15 0.00 2.34 0.00 0.00 41.12 42.69 3ist n ASP 45 CO 0.00 0.00 0.00 0.50 0.12 0.00 0.00 177.20 177.82 3ist h LYS 46 N 3.98 0.60 -0.52 -0.67 3.64 -1.95 0.64 116.57 122.28 3ist h LYS 46 Ca -0.46 -0.04 0.03 0.00 -1.27 0.00 0.00 60.65 58.92 3ist h LYS 46 Cb 1.26 -0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 32.91 3ist h LYS 46 CO 0.74 0.39 0.30 0.93 -2.27 0.00 0.00 179.45 179.54 3ist h GLU 47 N 0.61 0.57 0.06 1.90 5.08 -1.93 -0.28 114.58 120.60 3ist h GLU 47 Ca 0.37 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.70 3ist h GLU 47 Cb 0.42 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.54 3ist h GLU 47 CO -0.29 0.38 -0.03 1.49 -1.00 0.00 0.00 179.01 179.56 3ist h GLU 48 N 0.59 -0.08 -0.76 2.33 4.81 -0.93 -0.02 114.58 120.52 3ist h GLU 48 Ca 0.22 0.01 0.17 0.00 -0.13 0.00 0.00 59.36 59.62 3ist h GLU 48 Cb 0.06 0.02 -0.12 0.00 0.63 0.00 0.00 28.75 29.34 3ist h GLU 48 CO -0.12 0.15 0.18 0.28 -0.73 0.00 0.00 179.01 178.77 3ist h VAL 49 N -0.30 0.48 -0.08 0.32 2.07 0.19 -1.24 116.25 117.68 3ist h VAL 49 Ca -0.01 -0.09 -0.00 0.00 0.82 0.00 0.00 66.70 67.42 3ist h VAL 49 Cb 0.26 0.20 -0.00 0.00 -1.52 0.00 0.00 31.29 30.23 3ist h VAL 49 CO 0.01 0.05 0.05 0.00 0.02 0.00 0.00 177.57 177.70 3ist h ALA 50 N 1.64 0.10 -0.78 1.67 0.00 -0.68 -0.89 119.26 120.33 3ist h ALA 50 Ca 0.44 -0.04 0.12 0.00 0.00 0.00 0.00 54.91 55.43 3ist h ALA 50 Cb 0.77 -0.03 -0.08 0.00 0.00 0.00 0.00 17.79 18.44 3ist h ALA 50 CO -0.54 -0.37 0.38 -0.22 0.00 0.00 0.00 179.25 178.50 3ist h LYS 51 N 0.06 0.58 -0.26 0.00 3.64 -0.20 -0.25 116.57 120.13 3ist h LYS 51 Ca 0.03 -0.03 -0.17 0.00 -1.27 0.00 0.00 60.65 59.21 3ist h LYS 51 Cb 0.05 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 31.74 3ist h LYS 51 CO -0.01 0.38 -0.48 0.74 -2.27 0.00 0.00 179.45 177.82 3ist h PHE 52 N 0.60 0.99 -0.84 1.91 0.04 -1.05 -2.24 116.94 116.35 3ist h PHE 52 Ca 0.40 -0.35 -0.02 0.00 2.80 0.00 0.00 57.97 60.80 3ist h PHE 52 Cb 0.51 -0.19 -0.04 0.00 2.20 0.00 0.00 35.95 38.44 3ist h PHE 52 CO -0.11 1.16 0.44 1.15 -0.60 0.00 0.00 178.31 180.35 3ist h THR 53 N 0.54 1.25 -0.42 -1.55 2.02 -0.71 -2.07 112.91 111.98 3ist h THR 53 Ca 0.01 -0.66 -0.05 0.00 0.77 0.00 0.00 66.41 66.49 3ist h THR 53 Cb 1.09 0.14 -0.02 0.00 -1.74 0.00 0.00 68.15 67.61 3ist h THR 53 CO 0.11 0.29 0.05 -0.50 0.37 0.00 0.00 175.52 175.84 3ist h TRP 54 N 1.19 0.67 0.00 3.16 4.06 -0.90 -1.11 115.95 123.02 3ist h TRP 54 Ca 0.29 -0.07 0.00 0.00 2.06 0.00 0.00 58.89 61.18 3ist h TRP 54 Cb 0.06 -0.20 0.00 0.00 -1.00 0.00 0.00 29.16 28.03 3ist h TRP 54 CO 0.01 0.61 0.00 0.39 -3.56 0.00 0.00 178.44 175.89 3ist n GLU 55 N -4.28 0.20 0.00 0.49 1.02 -0.78 -0.88 120.64 116.42 3ist n GLU 55 Ca 0.02 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.16 3ist n GLU 55 Cb 0.24 -1.23 0.00 0.00 -0.02 0.00 0.00 31.44 30.43 3ist n GLU 55 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 3ist n THR 57 N 0.61 0.00 -0.29 2.62 -1.04 -0.42 -1.92 114.28 113.84 3ist n THR 57 Ca 0.00 0.00 -0.03 0.00 -2.04 0.00 0.00 64.05 61.98 3ist n THR 57 Cb 0.07 0.00 0.13 0.00 -1.82 0.00 0.00 70.33 68.71 3ist n THR 57 CO 0.00 0.00 0.00 0.78 -0.64 0.00 0.00 175.07 175.21 3ist h ASN 58 N 0.00 1.04 -0.21 8.00 2.35 -1.28 0.06 115.58 125.53 3ist h ASN 58 Ca 0.00 -0.09 0.02 0.00 -0.55 0.00 0.00 56.30 55.67 3ist h ASN 58 Cb 0.00 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.09 3ist h ASN 58 CO 0.00 0.84 0.10 0.15 -1.65 0.00 0.00 177.43 176.87 3ist h PHE 59 N 1.16 0.18 -0.06 1.19 3.57 -1.64 -1.41 116.94 119.94 3ist h PHE 59 Ca 0.29 0.01 -0.20 0.00 3.53 0.00 0.00 57.97 61.60 3ist h PHE 59 Cb 0.04 -0.05 -0.00 0.00 2.79 0.00 0.00 35.95 38.73 3ist h PHE 59 CO 0.01 0.10 -0.81 -0.07 -2.23 0.00 0.00 178.31 175.30 3ist h LEU 60 N 0.21 0.54 -1.24 0.59 3.38 -1.74 -2.89 115.31 114.15 3ist h LEU 60 Ca 0.09 -0.38 -0.01 0.00 0.09 0.00 0.00 57.88 57.66 3ist h LEU 60 Cb 0.03 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 3ist h LEU 60 CO -0.07 1.15 0.35 0.58 0.09 0.00 0.00 178.44 180.54 3ist h VAL 61 N 0.28 1.19 0.00 1.22 2.07 -0.88 -1.27 116.25 118.86 3ist h VAL 61 Ca -0.05 -0.47 -0.05 0.00 0.82 0.00 0.00 66.70 66.95 3ist h VAL 61 Cb 1.42 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 31.51 3ist h VAL 61 CO 0.14 0.21 -0.22 0.44 0.02 0.00 0.00 177.57 178.16 3ist h ASP 62 N 0.88 0.00 1.43 0.57 3.32 -1.10 -2.85 116.42 118.68 3ist h ASP 62 Ca 0.23 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.28 3ist h ASP 62 Cb 0.01 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.56 3ist h ASP 62 CO -0.04 0.22 -0.20 0.03 -1.72 0.00 0.00 179.24 177.53 3ist h ARG 63 N 0.00 0.00 0.00 3.56 2.47 -1.05 -3.49 114.38 115.88 3ist h ARG 63 Ca -0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 3ist h ARG 63 Cb 0.44 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.76 3ist h ARG 63 CO 0.03 0.00 0.00 0.41 0.56 0.00 0.00 179.97 180.97 3ist n GLY 64 N 1.26 0.38 3.39 0.04 0.00 -0.96 -4.96 105.19 104.34 3ist n GLY 64 Ca 0.04 -0.68 -0.30 0.00 0.00 0.00 0.00 46.02 45.09 3ist n GLY 64 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3ist s ILE 65 N 0.00 2.35 -1.63 -0.61 -4.36 -1.24 -2.64 121.20 113.07 3ist s ILE 65 Ca 0.00 -1.53 0.20 0.00 -0.26 0.00 0.00 60.65 59.06 3ist s ILE 65 Cb 0.00 -2.00 0.61 0.00 1.25 0.00 0.00 42.46 42.32 3ist s ILE 65 CO 0.00 0.22 1.51 2.29 0.24 0.00 0.00 174.94 179.20 3ist n LYS 66 N 1.28 2.94 -3.68 0.37 2.85 -0.18 -4.89 118.16 116.85 3ist n LYS 66 Ca -0.17 -2.62 -0.11 0.00 -1.05 0.00 0.00 58.31 54.37 3ist n LYS 66 Cb 0.52 -1.59 -0.09 0.00 -0.65 0.00 0.00 35.03 33.22 3ist n LYS 66 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 177.40 176.18 3ist s LEU 68 N -1.18 -0.24 -0.19 -5.58 2.96 -0.12 -4.23 118.68 110.10 3ist s LEU 68 Ca 0.45 1.08 -0.01 0.00 -0.22 0.00 0.00 54.13 55.44 3ist s LEU 68 Cb 0.25 1.72 0.01 0.00 0.50 0.00 0.00 46.19 48.66 3ist s LEU 68 CO 0.29 -0.20 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.29 3ist s VAL 69 N 1.08 2.62 -0.76 1.68 1.01 0.31 -1.24 120.40 125.10 3ist s VAL 69 Ca -0.07 -0.76 -0.21 0.00 0.00 0.00 0.00 61.98 60.95 3ist s VAL 69 Cb -0.06 -2.14 0.10 0.00 0.00 0.00 0.00 36.38 34.28 3ist s VAL 69 CO -0.10 0.50 1.02 -0.63 0.00 0.00 0.00 175.10 175.89 3ist s ILE 70 N 1.22 4.50 -0.58 2.22 1.01 0.52 -1.46 121.20 128.63 3ist s ILE 70 Ca 0.02 -0.88 -0.03 0.00 0.00 0.00 0.00 60.65 59.77 3ist s ILE 70 Cb -0.14 -4.72 0.20 0.00 0.01 0.00 0.00 42.46 37.82 3ist s ILE 70 CO -0.07 -1.46 2.39 0.00 0.00 0.00 0.00 174.94 175.80 3ist n ALA 71 N 7.20 6.32 -3.66 9.38 0.00 -0.15 -3.51 120.51 136.09 3ist n ALA 71 Ca 0.07 -3.26 -0.08 0.00 0.00 0.00 0.00 53.44 50.17 3ist n ALA 71 Cb 0.47 -1.98 -0.08 0.00 0.00 0.00 0.00 19.45 17.85 3ist n ALA 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ist h ASN 73 N 7.14 0.64 0.87 0.00 2.35 -1.88 -2.29 115.58 122.42 3ist h ASN 73 Ca -0.31 -0.46 -0.14 0.00 -0.55 0.00 0.00 56.30 54.84 3ist h ASN 73 Cb 1.20 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 39.37 3ist h ASN 73 CO 0.21 0.96 -0.67 0.71 -1.65 0.00 0.00 177.43 176.99 3ist h THR 74 N 0.33 1.35 0.04 2.81 1.35 -1.97 -2.11 112.91 114.71 3ist h THR 74 Ca 0.05 -2.38 -0.25 0.00 -0.55 0.00 0.00 66.41 63.28 3ist h THR 74 Cb 0.77 2.33 0.01 0.00 -1.73 0.00 0.00 68.15 69.53 3ist h THR 74 CO 0.06 0.65 -1.04 0.00 -0.25 0.00 0.00 175.52 174.94 3ist h ALA 75 N 1.33 0.26 -0.18 6.62 0.00 -1.95 -3.06 119.26 122.29 3ist h ALA 75 Ca -0.01 -0.75 0.00 0.00 0.00 0.00 0.00 54.91 54.16 3ist h ALA 75 Cb 1.28 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 3ist h ALA 75 CO 0.09 0.82 0.11 1.15 0.00 0.00 0.00 179.25 181.42 3ist h THR 76 N 0.22 1.07 -0.12 0.00 2.02 -1.25 -1.84 112.91 113.01 3ist h THR 76 Ca -0.11 -0.15 -0.02 0.00 0.77 0.00 0.00 66.41 66.90 3ist h THR 76 Cb 1.70 0.85 -0.01 0.00 -1.74 0.00 0.00 68.15 68.94 3ist h THR 76 CO 0.18 0.06 -0.02 0.00 0.37 0.00 0.00 175.52 176.11 3ist h ALA 77 N 1.04 1.75 0.00 6.16 0.00 -1.48 -2.67 119.26 124.05 3ist h ALA 77 Ca 0.06 -0.10 -0.15 0.00 0.00 0.00 0.00 54.91 54.73 3ist h ALA 77 Cb 0.01 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 3ist h ALA 77 CO -0.01 0.20 -1.68 0.00 0.00 0.00 0.00 179.25 177.75 3ist n ALA 78 N -2.51 2.11 -1.16 0.00 0.00 -0.97 -4.73 120.51 113.25 3ist n ALA 78 Ca -0.01 -0.65 0.00 0.00 0.00 0.00 0.00 53.44 52.78 3ist n ALA 78 Cb 0.16 -0.78 0.00 0.00 0.00 0.00 0.00 19.45 18.83 3ist n ALA 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ist n ALA 79 N -2.41 0.00 -0.11 0.00 0.00 -0.73 -4.70 120.51 112.56 3ist n ALA 79 Ca -0.12 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.27 3ist n ALA 79 Cb 0.81 0.00 0.02 0.00 0.00 0.00 0.00 19.45 20.28 3ist n ALA 79 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3ist h LEU 80 N 0.00 -0.16 -0.15 0.00 5.85 -1.59 -1.80 115.31 117.46 3ist h LEU 80 Ca 0.00 0.09 0.02 0.00 0.84 0.00 0.00 57.88 58.82 3ist h LEU 80 Cb 0.45 0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.62 3ist h LEU 80 CO 0.00 -0.04 0.03 0.22 -0.34 0.00 0.00 178.44 178.31 3ist h TYR 81 N 0.10 0.06 -0.58 1.25 3.20 -1.91 -0.92 116.97 118.16 3ist h TYR 81 Ca 0.18 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 62.01 3ist h TYR 81 Cb 0.25 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.49 3ist h TYR 81 CO -0.26 0.03 0.17 0.22 -1.64 0.00 0.00 178.16 176.67 3ist h ASP 82 N 0.10 0.86 -0.30 -2.11 3.58 -1.86 -2.03 116.42 114.66 3ist h ASP 82 Ca 0.06 -0.22 -0.05 0.00 0.42 0.00 0.00 57.03 57.24 3ist h ASP 82 Cb 0.05 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 40.86 3ist h ASP 82 CO -0.08 0.85 -0.03 0.40 -2.88 0.00 0.00 179.24 177.51 3ist h ILE 83 N 0.83 1.27 -0.41 2.25 2.04 -1.09 -1.91 117.51 120.49 3ist h ILE 83 Ca 0.19 -1.00 0.04 0.00 1.00 0.00 0.00 64.86 65.08 3ist h ILE 83 Cb 0.31 1.32 -0.04 0.00 -0.74 0.00 0.00 36.82 37.68 3ist h ILE 83 CO -0.00 0.32 0.19 -0.09 0.00 0.00 0.00 178.15 178.57 3ist h ARG 84 N 0.33 0.38 -0.51 2.37 2.43 -1.13 -0.66 114.38 117.58 3ist h ARG 84 Ca 0.08 -0.02 0.04 0.00 -0.81 0.00 0.00 59.98 59.27 3ist h ARG 84 Cb 0.48 -0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 29.90 3ist h ARG 84 CO 0.02 0.25 0.27 1.49 -1.51 0.00 0.00 179.97 180.50 3ist h GLU 85 N 0.39 0.52 0.06 0.20 4.57 -1.30 -3.28 114.58 115.74 3ist h GLU 85 Ca 0.18 -0.03 -0.25 0.00 -1.18 0.00 0.00 59.36 58.07 3ist h GLU 85 Cb 0.11 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 28.56 3ist h GLU 85 CO -0.14 0.34 -1.25 0.87 -1.18 0.00 0.00 179.01 177.66 3ist h LYS 86 N 0.54 0.12 -7.32 1.92 1.57 -0.83 -3.47 116.57 109.09 3ist h LYS 86 Ca 0.22 -0.21 -0.49 0.00 -1.87 0.00 0.00 60.65 58.29 3ist h LYS 86 Cb 0.10 0.08 0.06 0.00 0.08 0.00 0.00 32.23 32.55 3ist h LYS 86 CO -0.13 1.03 0.34 -0.51 -0.57 0.00 0.00 179.45 179.60 3ist s LEU 87 N -6.82 3.12 -0.12 2.94 1.43 -0.30 -5.00 118.68 113.93 3ist s LEU 87 Ca -0.03 1.11 0.16 0.00 -1.03 0.00 0.00 54.13 54.34 3ist s LEU 87 Cb 0.08 -3.99 0.57 0.00 0.03 0.00 0.00 46.19 42.88 3ist s LEU 87 CO 0.84 -1.09 1.49 0.47 0.23 0.00 0.00 176.35 178.29 3ist n ASP 88 N -2.78 4.14 -4.50 2.29 8.00 -1.26 -4.92 116.55 117.50 3ist n ASP 88 Ca 0.06 -2.57 -0.24 0.00 0.71 0.00 0.00 54.79 52.75 3ist n ASP 88 Cb 0.56 -0.49 -0.09 0.00 -0.02 0.00 0.00 41.12 41.07 3ist n ASP 88 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 3ist s ILE 89 N -2.04 2.67 0.33 0.53 -4.36 -1.26 -5.10 121.20 111.97 3ist s ILE 89 Ca 0.42 -2.31 -0.29 0.00 -0.26 0.00 0.00 60.65 58.22 3ist s ILE 89 Cb 0.29 -2.41 -0.10 0.00 1.25 0.00 0.00 42.46 41.49 3ist s ILE 89 CO 0.17 -0.39 1.34 -2.84 0.24 0.00 0.00 174.94 173.45 3ist s PRO 90 N -3.53 4.32 -0.06 0.37 0.02 -1.26 -4.88 135.00 129.98 3ist s PRO 90 Ca 0.30 2.26 0.01 0.00 0.02 0.00 0.00 61.00 63.59 3ist s PRO 90 Cb -0.05 -3.06 0.02 0.00 0.02 0.00 0.00 34.50 31.42 3ist s PRO 90 CO 0.16 -0.24 -0.06 0.08 -0.33 0.00 0.00 177.00 176.60 3ist s VAL 91 N -1.03 0.72 0.17 3.83 1.01 -1.26 -0.94 120.40 122.90 3ist s VAL 91 Ca 0.50 -0.21 0.03 0.00 0.00 0.00 0.00 61.98 62.30 3ist s VAL 91 Cb -0.41 -0.73 -0.05 0.00 0.00 0.00 0.00 36.38 35.20 3ist s VAL 91 CO 0.53 0.27 -0.03 0.27 0.00 0.00 0.00 175.10 176.14 3ist s ILE 92 N 1.00 0.86 0.25 2.22 -4.36 -0.38 -4.90 121.20 115.89 3ist s ILE 92 Ca -0.09 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.30 3ist s ILE 92 Cb -0.14 -2.04 -0.00 0.00 1.25 0.00 0.00 42.46 41.52 3ist s ILE 92 CO -0.00 -0.56 0.02 0.61 0.24 0.00 0.00 174.94 175.25 3ist n GLY 93 N -0.24 3.82 0.02 6.27 0.00 -1.26 -0.36 105.19 113.44 3ist n GLY 93 Ca -0.08 -2.23 0.11 0.00 0.00 0.00 0.00 46.02 43.82 3ist n GLY 93 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3ist n VAL 94 N -0.61 0.09 0.03 1.61 0.24 -1.23 -4.48 118.33 113.98 3ist n VAL 94 Ca -0.09 -0.21 -0.12 0.00 -2.04 0.00 0.00 64.34 61.87 3ist n VAL 94 Cb 0.33 0.40 -0.09 0.00 -1.47 0.00 0.00 33.84 33.00 3ist n VAL 94 CO 0.00 0.00 0.00 0.40 -2.14 0.00 0.00 176.83 175.09 3ist h ILE 95 N 0.00 1.14 -0.85 1.34 2.04 -1.92 -2.24 117.51 117.03 3ist h ILE 95 Ca 0.00 -1.08 -0.01 0.00 1.00 0.00 0.00 64.86 64.78 3ist h ILE 95 Cb 0.70 1.81 -0.04 0.00 -0.74 0.00 0.00 36.82 38.55 3ist h ILE 95 CO 0.00 0.25 0.51 -0.61 0.00 0.00 0.00 178.15 178.30 3ist h GLN 96 N -0.64 1.15 -0.81 2.37 5.75 -1.96 -1.13 115.11 119.84 3ist h GLN 96 Ca -0.01 -0.11 -0.04 0.00 -0.15 0.00 0.00 58.65 58.34 3ist h GLN 96 Cb 0.51 -0.24 -0.04 0.00 1.07 0.00 0.00 27.48 28.79 3ist h GLN 96 CO 0.02 0.81 0.35 -1.35 -2.65 0.00 0.00 178.83 176.01 3ist h PRO 97 N 1.16 1.20 -0.28 -2.39 0.11 -1.78 0.96 132.00 130.98 3ist h PRO 97 Ca 0.30 -0.20 -0.11 0.00 0.11 0.00 0.00 66.00 66.10 3ist h PRO 97 Cb -0.04 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 30.86 3ist h PRO 97 CO -0.06 0.95 -0.30 0.78 -0.21 0.00 0.00 178.00 179.17 3ist h GLY 98 N 1.18 0.62 0.77 -0.55 0.00 -1.05 -0.09 103.07 103.95 3ist h GLY 98 Ca 0.27 -0.55 -0.01 0.00 0.00 0.00 0.00 47.33 47.04 3ist h GLY 98 CO -0.03 0.50 -0.08 1.76 0.00 0.00 0.00 176.54 178.69 3ist h SER 99 N 0.50 -0.20 -0.74 0.19 0.02 -0.60 -0.95 113.55 111.77 3ist h SER 99 Ca 0.06 -0.18 0.14 0.00 -0.84 0.00 0.00 61.79 60.98 3ist h SER 99 Cb 0.76 0.05 -0.10 0.00 0.14 0.00 0.00 62.40 63.26 3ist h SER 99 CO 0.06 0.07 0.27 0.03 -1.14 0.00 0.00 176.83 176.12 3ist h ARG 100 N -0.47 0.39 -0.73 3.45 3.08 -0.58 -2.08 114.38 117.44 3ist h ARG 100 Ca -0.02 -0.02 -0.05 0.00 0.07 0.00 0.00 59.98 59.95 3ist h ARG 100 Cb 0.36 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.29 3ist h ARG 100 CO 0.04 0.26 0.24 0.00 -1.07 0.00 0.00 179.97 179.44 3ist h ALA 101 N 1.55 1.04 -0.60 0.04 0.00 -0.83 -1.83 119.26 118.64 3ist h ALA 101 Ca 0.41 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 3ist h ALA 101 Cb 0.64 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 3ist h ALA 101 CO -0.42 0.65 0.29 0.00 0.00 0.00 0.00 179.25 179.77 3ist h ALA 102 N 1.17 0.78 0.00 0.00 0.00 -0.67 -1.56 119.26 118.98 3ist h ALA 102 Ca 0.24 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 3ist h ALA 102 Cb 0.28 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3ist h ALA 102 CO -0.01 0.34 -0.29 -0.07 0.00 0.00 0.00 179.25 179.22 3ist h LEU 103 N 0.82 0.00 -0.23 0.00 3.38 -1.08 0.11 115.31 118.31 3ist h LEU 103 Ca 0.21 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.96 3ist h LEU 103 Cb 0.12 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.88 3ist h LEU 103 CO -0.03 0.29 -0.80 0.11 0.09 0.00 0.00 178.44 178.11 3ist h LYS 104 N 0.00 0.62 0.10 1.13 1.57 -1.05 -3.34 116.57 115.60 3ist h LYS 104 Ca -0.00 -0.53 -0.26 0.00 -1.87 0.00 0.00 60.65 57.99 3ist h LYS 104 Cb 0.74 0.12 -0.00 0.00 0.08 0.00 0.00 32.23 33.17 3ist h LYS 104 CO 0.04 1.15 -1.20 0.00 -0.57 0.00 0.00 179.45 178.87 3ist h ALA 105 N 0.69 0.15 -2.75 3.86 0.00 -0.61 -3.47 119.26 117.13 3ist h ALA 105 Ca -0.05 -0.89 -0.51 0.00 0.00 0.00 0.00 54.91 53.45 3ist h ALA 105 Cb 1.41 -0.02 0.07 0.00 0.00 0.00 0.00 17.79 19.25 3ist h ALA 105 CO 0.15 1.03 0.52 -0.08 0.00 0.00 0.00 179.25 180.87 3ist s THR 106 N -2.67 2.99 -0.06 0.00 -1.32 0.33 -4.94 115.64 109.97 3ist s THR 106 Ca -0.03 0.80 0.11 0.00 -1.21 0.00 0.00 61.69 61.36 3ist s THR 106 Cb 0.08 -3.43 -0.16 0.00 -1.51 0.00 0.00 72.50 67.48 3ist s THR 106 CO 0.87 0.04 0.15 0.54 -2.21 0.00 0.00 174.62 174.02 3ist n ARG 107 N -0.22 1.24 -0.08 7.08 5.12 -1.26 -4.73 116.66 123.81 3ist n ARG 107 Ca 0.06 -0.06 0.05 0.00 -1.93 0.00 0.00 57.85 55.97 3ist n ARG 107 Cb 0.47 -1.28 0.09 0.00 -1.16 0.00 0.00 32.46 30.57 3ist n ARG 107 CO 0.00 0.00 0.00 0.27 -1.93 0.00 0.00 177.63 175.97 3ist n ASN 108 N -2.14 2.33 -3.68 0.55 0.23 -1.26 -5.01 115.26 106.27 3ist n ASN 108 Ca -0.10 -1.70 -0.27 0.00 -0.53 0.00 0.00 54.58 51.99 3ist n ASN 108 Cb 0.57 -0.10 0.04 0.00 -2.08 0.00 0.00 39.78 38.20 3ist n ASN 108 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 3ist n ASN 109 N 0.51 -5.32 -4.00 0.53 3.02 -1.26 -4.93 115.26 103.81 3ist n ASN 109 Ca 0.08 -0.62 -0.31 0.00 -0.03 0.00 0.00 54.58 53.70 3ist n ASN 109 Cb 0.33 -4.24 -0.15 0.00 -0.61 0.00 0.00 39.78 35.10 3ist n ASN 109 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3ist s LYS 110 N -6.39 1.95 -0.03 3.52 1.02 -1.26 -0.79 119.74 117.76 3ist s LYS 110 Ca 0.58 -1.08 0.06 0.00 0.02 0.00 0.00 55.97 55.56 3ist s LYS 110 Cb -0.28 -2.66 -0.01 0.00 -0.52 0.00 0.00 37.83 34.36 3ist s LYS 110 CO 0.72 -0.55 -0.22 0.42 -0.92 0.00 0.00 175.35 174.80 3ist s ILE 111 N 1.29 1.81 0.06 2.17 1.01 0.55 -1.88 121.20 126.21 3ist s ILE 111 Ca -0.06 -0.96 0.01 0.00 0.00 0.00 0.00 60.65 59.65 3ist s ILE 111 Cb -0.19 -1.52 -0.04 0.00 0.01 0.00 0.00 42.46 40.73 3ist s ILE 111 CO -0.06 0.51 0.15 -0.83 0.00 0.00 0.00 174.94 174.71 3ist s GLY 112 N -0.33 2.12 -0.11 6.18 0.00 0.50 -0.72 107.32 114.96 3ist s GLY 112 Ca 0.03 -0.90 0.00 0.00 0.00 0.00 0.00 44.72 43.85 3ist s GLY 112 CO 0.01 -0.87 -0.10 0.14 0.00 0.00 0.00 173.10 172.27 3ist s VAL 113 N -1.43 1.19 -0.16 1.40 1.01 0.66 -0.13 120.40 122.93 3ist s VAL 113 Ca 0.32 -0.42 -0.08 0.00 0.00 0.00 0.00 61.98 61.80 3ist s VAL 113 Cb -0.13 -1.15 -0.04 0.00 0.00 0.00 0.00 36.38 35.06 3ist s VAL 113 CO 0.24 0.39 0.11 -0.76 0.00 0.00 0.00 175.10 175.08 3ist s LEU 114 N 1.40 4.15 0.00 3.92 1.43 -0.45 -0.41 118.68 128.72 3ist s LEU 114 Ca 0.00 0.27 -0.16 0.00 -1.03 0.00 0.00 54.13 53.22 3ist s LEU 114 Cb -0.13 -2.04 0.06 0.00 0.03 0.00 0.00 46.19 44.11 3ist s LEU 114 CO -0.06 0.27 0.80 0.61 0.23 0.00 0.00 176.35 178.21 3ist n GLY 115 N 2.91 0.87 3.76 -3.19 0.00 -1.02 0.11 105.19 108.63 3ist n GLY 115 Ca -0.18 -1.16 -0.31 0.00 0.00 0.00 0.00 46.02 44.38 3ist n GLY 115 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ist s THR 116 N -2.17 3.21 0.20 2.61 -4.23 -1.26 -1.03 115.64 112.96 3ist s THR 116 Ca 0.17 0.39 -0.11 0.00 -1.18 0.00 0.00 61.69 60.97 3ist s THR 116 Cb -0.03 -2.94 0.12 0.00 1.34 0.00 0.00 72.50 70.99 3ist s THR 116 CO 0.07 -0.51 1.77 0.25 -0.54 0.00 0.00 174.62 175.66 3ist h LEU 117 N -1.19 0.34 -0.28 4.79 5.85 -1.94 -0.36 115.31 122.52 3ist h LEU 117 Ca -0.46 0.05 0.05 0.00 0.84 0.00 0.00 57.88 58.37 3ist h LEU 117 Cb 1.25 -0.00 -0.05 0.00 0.37 0.00 0.00 40.66 42.23 3ist h LEU 117 CO 0.54 0.21 -0.02 1.23 -0.34 0.00 0.00 178.44 180.07 3ist h GLY 118 N 0.49 0.26 0.83 3.75 0.00 -1.93 0.48 103.07 106.95 3ist h GLY 118 Ca 0.28 0.04 -0.00 0.00 0.00 0.00 0.00 47.33 47.65 3ist h GLY 118 CO -0.23 -0.07 0.01 -0.84 0.00 0.00 0.00 176.54 175.41 3ist h THR 119 N 0.06 1.16 -0.84 4.70 2.02 -1.61 -1.53 112.91 116.87 3ist h THR 119 Ca 0.13 -0.47 -0.02 0.00 0.77 0.00 0.00 66.41 66.83 3ist h THR 119 Cb 0.18 1.39 -0.04 0.00 -1.74 0.00 0.00 68.15 67.95 3ist h THR 119 CO -0.24 0.13 0.44 -0.37 0.37 0.00 0.00 175.52 175.84 3ist h VAL 120 N -0.11 1.25 0.00 3.16 -1.51 -0.97 -2.33 116.25 115.73 3ist h VAL 120 Ca 0.01 -0.66 -0.02 0.00 -1.23 0.00 0.00 66.70 64.80 3ist h VAL 120 Cb 0.19 0.14 -0.00 0.00 -2.13 0.00 0.00 31.29 29.49 3ist h VAL 120 CO -0.00 0.29 -0.11 -0.33 -1.23 0.00 0.00 177.57 176.19 3ist h GLU 121 N 1.19 0.00 0.00 5.19 5.08 -0.66 -3.44 114.58 121.94 3ist h GLU 121 Ca 0.29 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.65 3ist h GLU 121 Cb 0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.32 3ist h GLU 121 CO -0.04 0.11 0.00 -1.13 -1.00 0.00 0.00 179.01 176.94 3ist n SER 122 N -3.30 0.00 0.00 1.42 3.41 -0.60 -5.09 113.62 109.46 3ist n SER 122 Ca -0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3ist n SER 122 Cb 0.33 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.28 3ist n SER 122 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3ist n ALA 124 N -3.00 0.00 -0.03 7.33 0.00 -1.26 -5.01 120.51 118.54 3ist n ALA 124 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 3ist n ALA 124 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.36 3ist n ALA 124 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 3ist h TYR 125 N 0.00 0.23 -1.01 0.00 0.05 -1.94 -0.72 116.97 113.58 3ist h TYR 125 Ca 0.00 -0.08 0.07 0.00 0.05 0.00 0.00 58.73 58.78 3ist h TYR 125 Cb 0.00 -0.04 -0.07 0.00 1.01 0.00 0.00 36.73 37.63 3ist h TYR 125 CO 0.00 0.69 0.65 -1.35 -1.05 0.00 0.00 178.16 177.10 3ist h PRO 126 N -0.30 1.12 -0.43 4.88 0.11 -1.97 0.20 132.00 135.62 3ist h PRO 126 Ca 0.00 -0.07 -0.03 0.00 0.11 0.00 0.00 66.00 66.02 3ist h PRO 126 Cb 0.67 -0.25 -0.02 0.00 0.11 0.00 0.00 31.00 31.51 3ist h PRO 126 CO 0.02 0.74 0.17 1.15 -0.21 0.00 0.00 178.00 179.87 3ist h THR 127 N 1.15 1.20 -0.02 -1.15 2.02 -1.92 -0.94 112.91 113.26 3ist h THR 127 Ca 0.45 -0.63 -0.00 0.00 0.77 0.00 0.00 66.41 66.99 3ist h THR 127 Cb 0.22 0.82 -0.00 0.00 -1.74 0.00 0.00 68.15 67.45 3ist h THR 127 CO -0.19 0.23 0.00 0.00 0.37 0.00 0.00 175.52 175.93 3ist h ALA 128 N 1.01 0.02 -0.26 6.16 0.00 -0.28 -2.27 119.26 123.65 3ist h ALA 128 Ca 0.14 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.91 3ist h ALA 128 Cb 0.20 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 3ist h ALA 128 CO -0.01 -0.32 0.13 -0.07 0.00 0.00 0.00 179.25 178.97 3ist h LEU 129 N -0.26 0.19 -1.19 0.00 3.38 -0.55 -2.71 115.31 114.16 3ist h LEU 129 Ca 0.00 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 3ist h LEU 129 Cb 0.31 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.02 3ist h LEU 129 CO 0.00 0.15 -0.15 0.11 0.09 0.00 0.00 178.44 178.64 3ist h LYS 130 N 0.27 0.00 0.00 1.13 1.57 -1.22 -0.33 116.57 117.99 3ist h LYS 130 Ca 0.10 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 3ist h LYS 130 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.34 3ist h LYS 130 CO -0.07 0.15 0.00 0.78 -0.57 0.00 0.00 179.45 179.74 3ist h GLY 131 N 2.11 0.00 0.46 3.86 0.00 -1.11 -2.98 103.07 105.42 3ist h GLY 131 Ca -0.00 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 46.99 3ist h GLY 131 CO 0.02 0.00 -2.09 1.04 0.00 0.00 0.00 176.54 175.51 3ist n LEU 132 N -3.04 1.18 -3.30 3.11 4.77 -0.74 -4.88 117.00 114.10 3ist n LEU 132 Ca 0.02 0.17 -0.08 0.00 -0.03 0.00 0.00 56.01 56.09 3ist n LEU 132 Cb 0.40 -0.09 -0.06 0.00 -2.33 0.00 0.00 43.42 41.34 3ist n LEU 132 CO 0.30 0.58 -0.05 0.21 -1.33 0.00 0.00 177.39 177.10 3ist s ASN 133 N -6.11 0.20 0.28 -1.43 3.84 -0.21 -5.02 114.94 106.49 3ist s ASN 133 Ca -0.14 -0.19 0.24 0.00 0.21 0.00 0.00 52.86 52.98 3ist s ASN 133 Cb 0.07 1.19 1.03 0.00 -0.55 0.00 0.00 41.25 42.99 3ist s ASN 133 CO 0.79 -0.34 1.71 0.54 -2.79 0.00 0.00 177.10 177.01 3ist n ARG 134 N 5.36 0.19 0.00 0.43 1.74 -1.13 -2.35 116.66 120.91 3ist n ARG 134 Ca -0.00 0.46 0.12 0.00 -0.77 0.00 0.00 57.85 57.66 3ist n ARG 134 Cb 0.50 -1.90 0.29 0.00 -1.02 0.00 0.00 32.46 30.33 3ist n ARG 134 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3ist n ARG 135 N -2.27 0.07 -1.91 5.56 1.74 -1.26 -4.95 116.66 113.63 3ist n ARG 135 Ca 0.02 -0.04 -0.39 0.00 -0.77 0.00 0.00 57.85 56.67 3ist n ARG 135 Cb 0.20 -1.50 0.01 0.00 -1.02 0.00 0.00 32.46 30.16 3ist n ARG 135 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3ist s VAL 136 N -2.96 2.32 -0.18 1.55 0.11 -0.99 -5.00 120.40 115.24 3ist s VAL 136 Ca 0.12 0.27 -0.09 0.00 -2.93 0.00 0.00 61.98 59.36 3ist s VAL 136 Cb 0.18 -3.16 -0.05 0.00 -1.53 0.00 0.00 36.38 31.82 3ist s VAL 136 CO 0.67 0.03 0.12 -1.61 -3.33 0.00 0.00 175.10 170.98 3ist s GLU 137 N -2.46 4.04 -0.12 1.54 2.02 0.03 -4.97 118.70 118.78 3ist s GLU 137 Ca 0.61 -0.22 -0.00 0.00 0.02 0.00 0.00 54.97 55.38 3ist s GLU 137 Cb -0.40 -3.35 0.03 0.00 0.10 0.00 0.00 34.13 30.50 3ist s GLU 137 CO 0.51 0.38 -0.08 0.08 0.02 0.00 0.00 175.26 176.17 3ist s VAL 138 N 0.13 1.06 -0.22 2.63 1.01 -1.25 -0.33 120.40 123.42 3ist s VAL 138 Ca 0.09 -0.32 -0.05 0.00 0.00 0.00 0.00 61.98 61.69 3ist s VAL 138 Cb -0.11 -1.08 -0.02 0.00 0.00 0.00 0.00 36.38 35.17 3ist s VAL 138 CO -0.01 0.36 0.01 -1.81 0.00 0.00 0.00 175.10 173.65 3ist s ASP 139 N 1.69 4.76 -0.08 3.32 1.01 0.10 -5.00 116.67 122.47 3ist s ASP 139 Ca 0.05 -0.26 -0.03 0.00 0.71 0.00 0.00 52.55 53.01 3ist s ASP 139 Cb -0.13 -1.83 -0.04 0.00 1.01 0.00 0.00 42.92 41.94 3ist s ASP 139 CO -0.08 0.01 0.05 -0.44 0.21 0.00 0.00 175.17 174.91 3ist s SER 140 N 1.35 5.57 -0.13 0.27 0.01 -1.26 -0.24 113.70 119.27 3ist s SER 140 Ca 0.04 0.22 -0.04 0.00 1.31 0.00 0.00 55.95 57.49 3ist s SER 140 Cb -0.15 -1.64 0.06 0.00 0.21 0.00 0.00 66.02 64.50 3ist s SER 140 CO 0.01 0.37 0.11 -0.22 0.41 0.00 0.00 173.24 173.92 3ist s LEU 141 N -1.02 0.18 0.32 2.44 2.96 0.45 -4.94 118.68 119.07 3ist s LEU 141 Ca 0.15 -0.28 -0.28 0.00 -0.22 0.00 0.00 54.13 53.50 3ist s LEU 141 Cb -0.12 -0.07 -0.09 0.00 0.50 0.00 0.00 46.19 46.41 3ist s LEU 141 CO 0.04 -0.31 1.11 0.00 -1.32 0.00 0.00 176.35 175.87 3ist s ALA 142 N 2.19 3.33 -0.45 5.97 0.00 -1.26 -2.44 121.76 129.10 3ist s ALA 142 Ca 0.04 0.89 0.09 0.00 0.00 0.00 0.00 51.96 52.97 3ist s ALA 142 Cb -0.15 -3.33 0.30 0.00 0.00 0.00 0.00 23.12 19.95 3ist s ALA 142 CO -0.08 -0.24 0.71 0.00 0.00 0.00 0.00 175.76 176.15 3ist h PRO 144 N 3.46 0.00 0.00 0.00 0.13 -1.95 -1.86 132.00 131.79 3ist h PRO 144 Ca 0.11 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.23 3ist h PRO 144 Cb 0.82 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.94 3ist h PRO 144 CO 0.59 0.00 -0.03 0.87 -0.23 0.00 0.00 178.00 179.20 3ist h LYS 145 N 0.00 0.00 -0.66 0.86 1.57 -1.97 -3.38 116.57 112.98 3ist h LYS 145 Ca 0.17 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.88 3ist h LYS 145 Cb 0.75 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.04 3ist h LYS 145 CO -0.00 0.03 0.16 0.74 -0.57 0.00 0.00 179.45 179.80 3ist h PHE 146 N 0.00 1.11 -0.20 -1.35 -1.00 -1.75 -2.68 116.94 111.08 3ist h PHE 146 Ca -0.00 -0.13 0.02 0.00 2.81 0.00 0.00 57.97 60.67 3ist h PHE 146 Cb 0.82 -0.31 -0.02 0.00 3.61 0.00 0.00 35.95 40.04 3ist h PHE 146 CO 0.00 0.92 0.05 0.28 -1.61 0.00 0.00 178.31 177.95 3ist h VAL 147 N 0.99 0.92 -0.64 -0.55 2.07 -1.78 -1.59 116.25 115.66 3ist h VAL 147 Ca 0.21 -0.04 0.09 0.00 0.82 0.00 0.00 66.70 67.77 3ist h VAL 147 Cb 0.37 0.78 -0.07 0.00 -1.52 0.00 0.00 31.29 30.85 3ist h VAL 147 CO 0.00 0.02 0.29 0.28 0.02 0.00 0.00 177.57 178.18 3ist h SER 148 N 0.13 0.35 -0.57 0.57 0.02 -1.80 0.15 113.55 112.40 3ist h SER 148 Ca 0.09 0.06 -0.03 0.00 -0.84 0.00 0.00 61.79 61.07 3ist h SER 148 Cb 0.08 0.01 -0.03 0.00 0.14 0.00 0.00 62.40 62.60 3ist h SER 148 CO -0.11 0.21 0.24 0.58 -1.14 0.00 0.00 176.83 176.60 3ist h VAL 149 N 0.51 1.21 -0.06 2.27 2.07 -1.11 -0.76 116.25 120.39 3ist h VAL 149 Ca 0.31 -0.67 -0.08 0.00 0.82 0.00 0.00 66.70 67.08 3ist h VAL 149 Cb 0.34 0.50 0.00 0.00 -1.52 0.00 0.00 31.29 30.61 3ist h VAL 149 CO -0.27 0.27 -0.29 0.58 0.02 0.00 0.00 177.57 177.88 3ist h VAL 150 N 0.87 1.44 0.00 2.57 2.07 -0.44 -1.41 116.25 121.35 3ist h VAL 150 Ca 0.21 -1.72 -0.11 0.00 0.82 0.00 0.00 66.70 65.89 3ist h VAL 150 Cb 0.17 2.38 -0.02 0.00 -1.52 0.00 0.00 31.29 32.30 3ist h VAL 150 CO -0.02 0.49 -0.54 -0.33 0.02 0.00 0.00 177.57 177.19 3ist h GLU 151 N -0.23 0.00 0.00 1.57 5.08 -0.75 -2.51 114.58 117.74 3ist h GLU 151 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3ist h GLU 151 Cb 0.94 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.19 3ist h GLU 151 CO 0.06 0.54 0.00 0.43 -1.00 0.00 0.00 179.01 179.04 3ist n SER 152 N -3.63 0.28 0.00 1.42 7.64 -0.31 -4.91 113.62 114.11 3ist n SER 152 Ca -0.01 0.55 0.00 0.00 1.01 0.00 0.00 58.87 60.42 3ist n SER 152 Cb 0.60 -0.62 0.00 0.00 -1.01 0.00 0.00 64.21 63.19 3ist n SER 152 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3ist n GLY 153 N 0.72 0.54 0.58 0.23 0.00 -0.95 -4.95 105.19 101.36 3ist n GLY 153 Ca 0.05 -0.44 0.12 0.00 0.00 0.00 0.00 46.02 45.75 3ist n GLY 153 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3ist n GLU 154 N -2.82 1.78 0.01 1.61 1.02 -0.54 -4.57 120.64 117.13 3ist n GLU 154 Ca 0.00 -1.16 0.03 0.00 -0.02 0.00 0.00 57.16 56.01 3ist n GLU 154 Cb 0.00 -1.43 0.13 0.00 -0.02 0.00 0.00 31.44 30.12 3ist n GLU 154 CO 0.00 0.00 0.00 2.48 1.18 0.00 0.00 177.13 180.79 3ist n TYR 155 N 0.39 0.05 0.66 -0.32 0.18 -1.14 -1.04 117.16 115.93 3ist n TYR 155 Ca 0.17 0.03 0.07 0.00 1.88 0.00 0.00 57.90 60.05 3ist n TYR 155 Cb 0.36 -0.54 -0.01 0.00 -0.38 0.00 0.00 39.34 38.77 3ist n TYR 155 CO 0.00 0.00 0.00 1.63 -2.08 0.00 0.00 176.86 176.41 3ist n LYS 156 N -1.55 1.80 -2.83 -3.48 5.02 -1.26 -4.66 118.16 111.20 3ist n LYS 156 Ca 0.01 -0.72 -0.20 0.00 -2.02 0.00 0.00 58.31 55.38 3ist n LYS 156 Cb 0.06 -1.23 0.04 0.00 -0.02 0.00 0.00 35.03 33.88 3ist n LYS 156 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3ist s SER 157 N -1.81 5.22 0.46 4.39 1.04 -0.21 -4.91 113.70 117.89 3ist s SER 157 Ca 0.12 -0.36 0.12 0.00 0.48 0.00 0.00 55.95 56.31 3ist s SER 157 Cb 0.12 -0.45 1.05 0.00 0.10 0.00 0.00 66.02 66.84 3ist s SER 157 CO 0.38 -1.17 2.08 0.00 0.98 0.00 0.00 173.24 175.52 3ist h ALA 158 N 0.18 1.88 -0.48 5.32 0.00 -1.98 -0.72 119.26 123.47 3ist h ALA 158 Ca -0.38 -0.02 0.10 0.00 0.00 0.00 0.00 54.91 54.61 3ist h ALA 158 Cb 1.29 -0.09 -0.10 0.00 0.00 0.00 0.00 17.79 18.89 3ist h ALA 158 CO 0.46 0.10 -0.22 0.82 0.00 0.00 0.00 179.25 180.40 3ist h ILE 159 N 0.32 0.35 -0.62 0.00 1.08 -1.93 0.01 117.51 116.71 3ist h ILE 159 Ca 0.11 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.56 3ist h ILE 159 Cb 0.06 0.35 -0.03 0.00 -3.07 0.00 0.00 36.82 34.13 3ist h ILE 159 CO -0.02 0.00 0.32 0.00 -0.69 0.00 0.00 178.15 177.75 3ist h ALA 160 N 1.19 0.80 -0.45 1.87 0.00 -1.23 -0.37 119.26 121.07 3ist h ALA 160 Ca 0.22 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 55.06 3ist h ALA 160 Cb 0.47 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 3ist h ALA 160 CO -0.55 0.34 0.20 0.87 0.00 0.00 0.00 179.25 180.11 3ist h LYS 161 N 0.85 0.40 -0.45 0.00 1.57 -0.90 0.17 116.57 118.20 3ist h LYS 161 Ca 0.22 -0.02 -0.09 0.00 -1.87 0.00 0.00 60.65 58.88 3ist h LYS 161 Cb 0.08 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 3ist h LYS 161 CO -0.03 0.26 -0.09 -0.22 -0.57 0.00 0.00 179.45 178.81 3ist h LYS 162 N 0.41 0.86 -0.57 3.15 1.63 -0.84 -1.81 116.57 119.39 3ist h LYS 162 Ca 0.20 -0.32 -0.10 0.00 -0.85 0.00 0.00 60.65 59.58 3ist h LYS 162 Cb 0.13 -0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 31.69 3ist h LYS 162 CO -0.16 0.95 -0.04 0.28 -3.45 0.00 0.00 179.45 177.03 3ist h VAL 163 N 0.69 1.27 -0.15 2.00 2.07 -0.65 -0.83 116.25 120.65 3ist h VAL 163 Ca 0.12 -1.19 -0.01 0.00 0.82 0.00 0.00 66.70 66.43 3ist h VAL 163 Cb 0.62 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 31.26 3ist h VAL 163 CO 0.04 0.43 0.03 0.58 0.02 0.00 0.00 177.57 178.67 3ist h VAL 164 N 0.93 1.20 -0.21 2.57 2.07 -0.63 0.14 116.25 122.31 3ist h VAL 164 Ca 0.16 -0.64 0.02 0.00 0.82 0.00 0.00 66.70 67.06 3ist h VAL 164 Cb 0.60 1.35 -0.02 0.00 -1.52 0.00 0.00 31.29 31.70 3ist h VAL 164 CO 0.04 0.19 0.07 0.00 0.02 0.00 0.00 177.57 177.89 3ist h ALA 165 N 0.83 0.23 -0.40 1.67 0.00 -1.24 0.12 119.26 120.47 3ist h ALA 165 Ca 0.05 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 3ist h ALA 165 Cb 0.27 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 3ist h ALA 165 CO 0.00 -0.36 0.18 1.49 0.00 0.00 0.00 179.25 180.57 3ist h GLU 166 N 0.16 0.58 -0.21 0.00 4.81 -1.12 -2.84 114.58 115.97 3ist h GLU 166 Ca 0.09 -0.09 -0.16 0.00 -0.13 0.00 0.00 59.36 59.07 3ist h GLU 166 Cb 0.06 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.34 3ist h GLU 166 CO -0.10 0.52 -0.52 0.77 -0.73 0.00 0.00 179.01 178.95 3ist h SER 167 N 0.50 0.66 -0.33 1.04 0.02 -0.30 -3.29 113.55 111.84 3ist h SER 167 Ca 0.14 -0.34 0.00 0.00 -0.84 0.00 0.00 61.79 60.74 3ist h SER 167 Cb 0.14 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.49 3ist h SER 167 CO -0.02 1.06 0.00 0.18 -1.14 0.00 0.00 176.83 176.91 3ist n LEU 168 N -3.98 3.24 -0.37 5.07 4.77 0.39 -4.48 117.00 121.65 3ist n LEU 168 Ca -0.03 -1.36 0.04 0.00 -0.03 0.00 0.00 56.01 54.63 3ist n LEU 168 Cb 0.59 -0.21 0.20 0.00 -2.33 0.00 0.00 43.42 41.67 3ist n LEU 168 CO 0.47 0.68 1.26 0.25 -1.33 0.00 0.00 177.39 178.72 3ist h LEU 169 N 4.28 1.01 -1.61 2.23 7.12 -1.58 -1.64 115.31 125.12 3ist h LEU 169 Ca 0.00 0.02 0.17 0.00 0.13 0.00 0.00 57.88 58.20 3ist h LEU 169 Cb 0.94 -0.19 -0.05 0.00 -0.53 0.00 0.00 40.66 40.82 3ist h LEU 169 CO 0.00 0.62 0.53 -0.65 -0.13 0.00 0.00 178.44 178.80 3ist h PRO 170 N 1.13 0.35 0.00 5.25 0.11 -1.85 -0.11 132.00 136.87 3ist h PRO 170 Ca 0.45 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.52 3ist h PRO 170 Cb 0.25 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 31.28 3ist h PRO 170 CO -0.20 0.23 -0.09 -0.07 -0.21 0.00 0.00 178.00 177.67 3ist h LEU 171 N 0.36 0.00 -2.42 2.35 3.38 -1.63 -2.28 115.31 115.08 3ist h LEU 171 Ca 0.39 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.36 3ist h LEU 171 Cb 0.98 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.73 3ist h LEU 171 CO -0.12 0.09 -0.02 0.11 0.09 0.00 0.00 178.44 178.59 3ist h LYS 172 N 0.00 0.00 -0.22 1.13 1.79 -1.09 -1.44 116.57 116.74 3ist h LYS 172 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3ist h LYS 172 Cb 0.29 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.94 3ist h LYS 172 CO 0.01 0.02 0.00 0.43 -1.08 0.00 0.00 179.45 178.84 3ist n SER 173 N -3.30 1.56 -4.85 0.86 7.64 -0.86 -4.89 113.62 109.79 3ist n SER 173 Ca -0.02 -1.82 -0.25 0.00 1.01 0.00 0.00 58.87 57.79 3ist n SER 173 Cb 0.15 -0.14 -0.03 0.00 -1.01 0.00 0.00 64.21 63.18 3ist n SER 173 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3ist s THR 174 N -1.71 2.00 -0.30 0.44 -4.23 -0.54 -5.04 115.64 106.25 3ist s THR 174 Ca 0.27 -1.53 0.10 0.00 -1.18 0.00 0.00 61.69 59.34 3ist s THR 174 Cb 0.14 -2.53 0.56 0.00 1.34 0.00 0.00 72.50 72.01 3ist s THR 174 CO 0.21 0.00 1.56 0.29 -0.54 0.00 0.00 174.62 176.14 3ist n LYS 175 N -1.57 2.31 -1.75 3.99 4.01 -1.26 -5.03 118.16 118.87 3ist n LYS 175 Ca -0.01 -3.08 -0.41 0.00 -0.51 0.00 0.00 58.31 54.29 3ist n LYS 175 Cb 0.64 -1.92 0.00 0.00 -0.51 0.00 0.00 35.03 33.24 3ist n LYS 175 CO 0.00 0.00 0.00 -0.89 -1.11 0.00 0.00 177.40 175.40 3ist n ILE 176 N -0.91 2.11 0.13 -0.18 5.41 -1.26 -4.84 119.36 119.82 3ist n ILE 176 Ca 0.36 -0.50 0.03 0.00 1.00 0.00 0.00 62.75 63.64 3ist n ILE 176 Cb 1.15 -1.82 0.05 0.00 -0.71 0.00 0.00 39.64 38.31 3ist n ILE 176 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 3ist n ASP 177 N 0.46 1.96 -3.71 4.38 5.68 -0.79 -4.85 116.55 119.69 3ist n ASP 177 Ca 0.03 -1.57 -0.11 0.00 -0.50 0.00 0.00 54.79 52.64 3ist n ASP 177 Cb 0.38 -0.06 -0.11 0.00 -1.14 0.00 0.00 41.12 40.20 3ist n ASP 177 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 3ist s THR 178 N -0.74 -0.02 -0.11 2.12 2.01 -1.24 -0.95 115.64 116.71 3ist s THR 178 Ca 0.10 0.08 0.00 0.00 0.31 0.00 0.00 61.69 62.19 3ist s THR 178 Cb 0.06 -0.56 0.02 0.00 0.01 0.00 0.00 72.50 72.04 3ist s THR 178 CO 0.09 0.03 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.26 3ist s VAL 179 N 1.11 1.20 -0.07 3.82 1.01 0.22 -0.37 120.40 127.32 3ist s VAL 179 Ca -0.07 -0.42 -0.26 0.00 0.00 0.00 0.00 61.98 61.23 3ist s VAL 179 Cb -0.07 -1.17 -0.03 0.00 0.00 0.00 0.00 36.38 35.11 3ist s VAL 179 CO -0.09 0.39 0.83 -0.63 0.00 0.00 0.00 175.10 175.60 3ist s ILE 180 N 1.47 4.94 -0.89 2.22 1.01 0.81 -0.38 121.20 130.38 3ist s ILE 180 Ca 0.02 1.70 -0.22 0.00 0.00 0.00 0.00 60.65 62.14 3ist s ILE 180 Cb -0.13 -4.16 0.07 0.00 0.01 0.00 0.00 42.46 38.25 3ist s ILE 180 CO -0.07 0.16 1.26 -0.76 0.00 0.00 0.00 174.94 175.53 3ist s LEU 181 N 1.25 4.00 -0.56 2.97 1.43 -0.65 -1.34 118.68 125.78 3ist s LEU 181 Ca 0.42 -1.36 -0.01 0.00 -1.03 0.00 0.00 54.13 52.15 3ist s LEU 181 Cb -0.18 -2.50 0.43 0.00 0.03 0.00 0.00 46.19 43.97 3ist s LEU 181 CO 0.20 -1.44 2.00 0.61 0.23 0.00 0.00 176.35 177.95 3ist n GLY 182 N 6.00 5.27 2.95 -3.19 0.00 0.12 -4.56 105.19 111.78 3ist n GLY 182 Ca 0.19 -1.86 -0.13 0.00 0.00 0.00 0.00 46.02 44.23 3ist n GLY 182 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ist n THR 184 N 3.96 0.88 0.21 0.00 -2.24 -1.26 -1.27 114.28 114.55 3ist n THR 184 Ca -0.23 0.35 0.07 0.00 -2.27 0.00 0.00 64.05 61.96 3ist n THR 184 Cb 0.53 -1.30 0.44 0.00 -2.10 0.00 0.00 70.33 67.91 3ist n THR 184 CO 0.00 0.00 0.00 0.45 -0.57 0.00 0.00 175.07 174.95 3ist h HIS 185 N 0.00 0.00 0.00 4.78 3.86 -1.93 -3.38 115.15 118.48 3ist h HIS 185 Ca 0.00 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.19 3ist h HIS 185 Cb 0.28 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.75 3ist h HIS 185 CO 0.00 0.30 -0.10 1.88 0.86 0.00 0.00 177.93 180.87 3ist h TYR 186 N 0.00 0.00 -0.27 2.45 0.99 -1.54 -2.83 116.97 115.77 3ist h TYR 186 Ca -0.00 0.00 0.08 0.00 2.00 0.00 0.00 58.73 60.81 3ist h TYR 186 Cb 0.70 0.00 -0.01 0.00 1.00 0.00 0.00 36.73 38.42 3ist h TYR 186 CO 0.00 0.10 0.28 -1.35 -0.00 0.00 0.00 178.16 177.19 3ist h PRO 187 N 0.00 0.00 0.00 4.88 0.11 -1.77 0.15 132.00 135.37 3ist h PRO 187 Ca -0.00 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.10 3ist h PRO 187 Cb 0.63 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.74 3ist h PRO 187 CO 0.01 0.00 -0.02 -0.07 -0.21 0.00 0.00 178.00 177.71 3ist h LEU 188 N 0.00 0.00 -0.81 2.35 -0.00 -1.81 -1.39 115.31 113.65 3ist h LEU 188 Ca 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.01 3ist h LEU 188 Cb 0.69 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.35 3ist h LEU 188 CO -0.00 0.02 -0.20 0.18 -0.00 0.00 0.00 178.44 178.44 3ist n LEU 189 N -4.05 1.46 -0.17 1.67 4.77 0.51 -4.65 117.00 116.54 3ist n LEU 189 Ca -0.03 -0.46 -0.02 0.00 -0.03 0.00 0.00 56.01 55.48 3ist n LEU 189 Cb 0.11 -0.06 0.07 0.00 -2.33 0.00 0.00 43.42 41.21 3ist n LEU 189 CO 0.30 0.26 0.88 0.50 -1.33 0.00 0.00 177.39 177.99 3ist h LYS 190 N 1.97 0.17 -0.97 3.23 3.64 -1.14 0.78 116.57 124.25 3ist h LYS 190 Ca 0.00 -0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.42 3ist h LYS 190 Cb 0.58 -0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 32.30 3ist h LYS 190 CO 0.00 0.11 0.63 -1.35 -2.27 0.00 0.00 179.45 176.58 3ist h PRO 191 N 0.17 1.15 -0.31 1.90 0.11 -1.82 0.14 132.00 133.34 3ist h PRO 191 Ca 0.26 -0.07 -0.18 0.00 0.11 0.00 0.00 66.00 66.12 3ist h PRO 191 Cb 0.39 -0.26 -0.00 0.00 0.11 0.00 0.00 31.00 31.24 3ist h PRO 191 CO -0.39 0.76 -0.52 0.82 -0.21 0.00 0.00 178.00 178.46 3ist h ILE 192 N 1.18 1.27 -0.87 4.15 2.04 -1.27 -1.85 117.51 122.16 3ist h ILE 192 Ca 0.40 -1.70 -0.02 0.00 1.00 0.00 0.00 64.86 64.54 3ist h ILE 192 Cb 0.09 1.58 -0.04 0.00 -0.74 0.00 0.00 36.82 37.71 3ist h ILE 192 CO -0.14 0.56 0.47 0.40 0.00 0.00 0.00 178.15 179.44 3ist h ILE 193 N 0.69 1.26 -0.69 -0.67 2.04 -0.47 -1.89 117.51 117.78 3ist h ILE 193 Ca 0.02 -0.64 -0.04 0.00 1.00 0.00 0.00 64.86 65.20 3ist h ILE 193 Cb 1.13 0.09 -0.03 0.00 -0.74 0.00 0.00 36.82 37.27 3ist h ILE 193 CO 0.12 0.29 0.29 -0.33 0.00 0.00 0.00 178.15 178.52 3ist h GLU 194 N 1.22 1.03 -0.48 2.37 5.08 -0.59 -2.73 114.58 120.47 3ist h GLU 194 Ca 0.31 -0.18 -0.02 0.00 -1.00 0.00 0.00 59.36 58.47 3ist h GLU 194 Cb 0.04 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.10 3ist h GLU 194 CO -0.05 0.84 0.22 -0.91 -1.00 0.00 0.00 179.01 178.11 3ist h ASN 195 N 0.98 0.65 0.00 1.42 2.35 -1.16 0.22 115.58 120.04 3ist h ASN 195 Ca 0.23 -0.14 0.00 0.00 -0.55 0.00 0.00 56.30 55.84 3ist h ASN 195 Cb 0.19 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.39 3ist h ASN 195 CO -0.02 0.61 0.00 0.33 -1.65 0.00 0.00 177.43 176.70 3ist n PHE 196 N -4.60 0.00 -3.76 1.19 7.35 -0.72 -4.93 117.46 111.99 3ist n PHE 196 Ca 0.02 0.00 0.02 0.00 -0.76 0.00 0.00 57.45 56.72 3ist n PHE 196 Cb 0.13 -0.02 0.00 0.00 0.35 0.00 0.00 39.48 39.94 3ist n PHE 196 CO 0.00 0.00 0.00 0.20 -0.76 0.00 0.00 176.76 176.20 3ist s GLY 198 N -0.93 -0.29 0.00 7.13 0.00 0.79 -5.10 107.32 108.91 3ist s GLY 198 Ca 0.00 0.42 0.17 0.00 0.00 0.00 0.00 44.72 45.31 3ist s GLY 198 CO 0.00 2.18 1.55 1.22 0.00 0.00 0.00 173.10 178.04 3ist n ASP 199 N -0.73 0.00 -0.47 1.64 8.00 -1.26 -2.47 116.55 121.26 3ist n ASP 199 Ca -0.04 0.49 0.13 0.00 0.71 0.00 0.00 54.79 56.08 3ist n ASP 199 Cb 0.61 -0.50 0.50 0.00 -0.02 0.00 0.00 41.12 41.72 3ist n ASP 199 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ist n GLY 200 N 0.27 0.02 3.25 0.44 0.00 -1.26 -4.81 105.19 103.10 3ist n GLY 200 Ca 0.04 -0.42 -0.34 0.00 0.00 0.00 0.00 46.02 45.30 3ist n GLY 200 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ist s VAL 201 N -1.94 2.79 -0.20 1.61 1.01 -1.03 -4.69 120.40 117.95 3ist s VAL 201 Ca 0.37 -0.71 -0.29 0.00 0.00 0.00 0.00 61.98 61.35 3ist s VAL 201 Cb 0.20 -2.22 -0.00 0.00 0.00 0.00 0.00 36.38 34.36 3ist s VAL 201 CO 0.31 0.49 1.15 0.00 0.00 0.00 0.00 175.10 177.05 3ist s ALA 202 N 1.14 3.67 -0.23 5.51 0.00 -0.12 -4.87 121.76 126.85 3ist s ALA 202 Ca 0.01 0.30 -0.09 0.00 0.00 0.00 0.00 51.96 52.19 3ist s ALA 202 Cb -0.14 -3.59 -0.04 0.00 0.00 0.00 0.00 23.12 19.35 3ist s ALA 202 CO -0.04 -1.12 0.11 0.08 0.00 0.00 0.00 175.76 174.79 3ist s VAL 203 N 3.36 4.89 -0.30 0.00 1.01 -1.26 -0.61 120.40 127.48 3ist s VAL 203 Ca 0.49 0.02 -0.12 0.00 0.00 0.00 0.00 61.98 62.37 3ist s VAL 203 Cb -0.18 -3.27 -0.04 0.00 0.00 0.00 0.00 36.38 32.89 3ist s VAL 203 CO 0.10 0.36 0.21 -0.63 0.00 0.00 0.00 175.10 175.14 3ist s ILE 204 N 1.16 5.29 -0.61 2.22 -1.09 0.49 -4.97 121.20 123.70 3ist s ILE 204 Ca 0.06 0.02 -0.21 0.00 -2.23 0.00 0.00 60.65 58.28 3ist s ILE 204 Cb -0.14 -3.60 0.07 0.00 -1.58 0.00 0.00 42.46 37.21 3ist s ILE 204 CO 0.04 0.15 0.85 0.21 -1.23 0.00 0.00 174.94 174.97 3ist s ASN 205 N 1.74 6.21 0.00 3.58 3.84 -1.26 -1.63 114.94 127.42 3ist s ASN 205 Ca 0.07 -0.99 0.14 0.00 0.21 0.00 0.00 52.86 52.30 3ist s ASN 205 Cb -0.17 -2.38 0.67 0.00 -0.55 0.00 0.00 41.25 38.82 3ist s ASN 205 CO 0.11 -1.26 1.44 -1.54 -2.79 0.00 0.00 177.10 173.06 3ist n SER 206 N 7.15 0.00 0.11 -4.21 3.41 -1.26 -1.95 113.62 116.86 3ist n SER 206 Ca -0.05 0.33 0.03 0.00 -0.26 0.00 0.00 58.87 58.92 3ist n SER 206 Cb 0.45 -0.41 0.40 0.00 -0.26 0.00 0.00 64.21 64.38 3ist n SER 206 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3ist h GLY 207 N 2.46 0.28 0.90 5.00 0.00 -1.91 -1.02 103.07 108.77 3ist h GLY 207 Ca 0.00 -0.16 -0.01 0.00 0.00 0.00 0.00 47.33 47.16 3ist h GLY 207 CO 0.00 0.15 -0.07 0.83 0.00 0.00 0.00 176.54 177.45 3ist h GLU 208 N 0.25 -0.19 -0.23 4.80 5.08 -1.73 -0.67 114.58 121.89 3ist h GLU 208 Ca 0.05 0.01 -0.11 0.00 -1.00 0.00 0.00 59.36 58.32 3ist h GLU 208 Cb 0.33 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 3ist h GLU 208 CO 0.02 -0.04 -0.31 1.49 -1.00 0.00 0.00 179.01 179.17 3ist h GLU 209 N -0.31 0.47 0.02 2.33 4.57 -1.71 -2.26 114.58 117.70 3ist h GLU 209 Ca -0.02 -0.20 0.00 0.00 -1.18 0.00 0.00 59.36 57.97 3ist h GLU 209 Cb 0.24 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.81 3ist h GLU 209 CO 0.03 0.73 -0.04 1.15 -1.18 0.00 0.00 179.01 179.71 3ist h THR 210 N 0.41 0.91 -0.95 0.32 2.02 -0.98 -0.78 112.91 113.86 3ist h THR 210 Ca 0.05 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.30 3ist h THR 210 Cb 0.75 0.91 -0.07 0.00 -1.74 0.00 0.00 68.15 68.00 3ist h THR 210 CO 0.06 0.00 0.60 0.00 0.37 0.00 0.00 175.52 176.55 3ist h ALA 211 N 0.90 1.32 -0.86 6.16 0.00 -1.02 -0.39 119.26 125.37 3ist h ALA 211 Ca 0.01 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3ist h ALA 211 Cb 0.08 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.56 3ist h ALA 211 CO -0.02 0.35 0.46 0.77 0.00 0.00 0.00 179.25 180.82 3ist h SER 212 N 1.07 1.09 -0.03 0.00 0.02 -0.92 -1.47 113.55 113.31 3ist h SER 212 Ca 0.42 -0.10 -0.13 0.00 -0.84 0.00 0.00 61.79 61.14 3ist h SER 212 Cb 0.20 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.46 3ist h SER 212 CO -0.18 0.88 -0.38 -0.08 -1.14 0.00 0.00 176.83 175.93 3ist h GLU 213 N 1.21 0.54 -0.22 3.45 4.81 -0.55 -0.49 114.58 123.33 3ist h GLU 213 Ca 0.30 -0.26 0.02 0.00 -0.13 0.00 0.00 59.36 59.30 3ist h GLU 213 Cb 0.04 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.39 3ist h GLU 213 CO -0.05 0.83 0.07 0.28 -0.73 0.00 0.00 179.01 179.41 3ist h VAL 214 N 0.45 0.93 -0.22 0.32 2.07 -0.68 0.10 116.25 119.22 3ist h VAL 214 Ca 0.04 -0.06 0.03 0.00 0.82 0.00 0.00 66.70 67.53 3ist h VAL 214 Cb 0.86 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 31.36 3ist h VAL 214 CO 0.07 0.03 0.05 -1.28 0.02 0.00 0.00 177.57 176.46 3ist h SER 215 N 0.16 0.03 -0.37 0.57 0.87 -1.06 -0.51 113.55 113.25 3ist h SER 215 Ca 0.10 0.03 0.01 0.00 -1.23 0.00 0.00 61.79 60.69 3ist h SER 215 Cb 0.07 0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 62.05 3ist h SER 215 CO -0.11 0.05 0.24 0.00 -0.53 0.00 0.00 176.83 176.48 3ist h ALA 216 N 1.15 0.47 -0.26 6.23 0.00 -0.83 -1.00 119.26 125.02 3ist h ALA 216 Ca 0.10 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.87 3ist h ALA 216 Cb 0.08 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3ist h ALA 216 CO -0.12 -0.09 -0.33 -0.07 0.00 0.00 0.00 179.25 178.64 3ist h LEU 217 N 0.48 0.57 -0.55 0.00 3.38 -0.69 -0.68 115.31 117.81 3ist h LEU 217 Ca 0.14 -0.23 -0.05 0.00 0.09 0.00 0.00 57.88 57.83 3ist h LEU 217 Cb -0.03 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 3ist h LEU 217 CO -0.04 0.86 0.14 -0.07 0.09 0.00 0.00 178.44 179.42 3ist h LEU 218 N 0.47 0.83 -0.58 1.67 3.38 -0.99 -2.19 115.31 117.90 3ist h LEU 218 Ca 0.05 -0.23 -0.02 0.00 0.09 0.00 0.00 57.88 57.78 3ist h LEU 218 Cb 0.80 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.31 3ist h LEU 218 CO 0.07 0.84 0.28 -0.78 0.09 0.00 0.00 178.44 178.94 3ist h ASP 219 N 0.78 0.76 -0.91 -0.43 3.58 -0.96 0.81 116.42 120.06 3ist h ASP 219 Ca 0.17 -0.13 0.07 0.00 0.42 0.00 0.00 57.03 57.57 3ist h ASP 219 Cb 0.33 -0.19 -0.06 0.00 1.72 0.00 0.00 39.33 41.12 3ist h ASP 219 CO 0.00 0.67 0.59 0.22 -2.88 0.00 0.00 179.24 177.84 3ist h TYR 220 N 0.79 1.04 -0.64 0.28 3.20 -0.77 -1.57 116.97 119.31 3ist h TYR 220 Ca 0.20 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.10 3ist h TYR 220 Cb 0.11 -0.34 0.00 0.00 1.54 0.00 0.00 36.73 38.04 3ist h TYR 220 CO -0.00 0.53 0.00 0.72 -1.64 0.00 0.00 178.16 177.77 3ist n HIS 221 N -4.50 0.94 -3.67 -3.82 8.25 -0.85 -4.96 115.22 106.61 3ist n HIS 221 Ca 0.14 -0.45 -0.23 0.00 -0.26 0.00 0.00 57.72 56.92 3ist n HIS 221 Cb 0.22 -0.04 0.05 0.00 1.12 0.00 0.00 29.99 31.34 3ist n HIS 221 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 3ist n ASN 222 N 1.32 -3.29 -0.13 0.41 5.15 -0.59 -4.93 115.26 113.21 3ist n ASN 222 Ca 0.22 -0.71 0.10 0.00 -0.60 0.00 0.00 54.58 53.58 3ist n ASN 222 Cb 0.59 -4.45 0.15 0.00 -0.53 0.00 0.00 39.78 35.54 3ist n ASN 222 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 3ist n LEU 223 N -4.49 2.36 -4.65 1.20 4.77 0.19 -5.00 117.00 111.37 3ist n LEU 223 Ca -0.15 -3.14 -0.42 0.00 -0.03 0.00 0.00 56.01 52.26 3ist n LEU 223 Cb 0.62 -0.43 -0.04 0.00 -2.33 0.00 0.00 43.42 41.23 3ist n LEU 223 CO 0.68 0.77 0.69 -0.76 -1.33 0.00 0.00 177.39 177.44 3ist s LEU 224 N -2.88 4.10 0.54 2.23 1.43 -1.25 -4.90 118.68 117.95 3ist s LEU 224 Ca 0.32 1.12 -0.18 0.00 -1.03 0.00 0.00 54.13 54.36 3ist s LEU 224 Cb 0.29 -3.26 -0.06 0.00 0.03 0.00 0.00 46.19 43.19 3ist s LEU 224 CO 0.02 -0.53 1.05 -1.81 0.23 0.00 0.00 176.35 175.31 3ist s ASP 225 N 1.29 6.03 0.00 2.29 1.01 -1.26 -4.98 116.67 121.05 3ist s ASP 225 Ca 0.37 1.88 0.20 0.00 0.71 0.00 0.00 52.55 55.71 3ist s ASP 225 Cb -0.15 -2.55 -0.14 0.00 1.01 0.00 0.00 42.92 41.09 3ist s ASP 225 CO 0.08 -1.00 0.92 0.00 0.21 0.00 0.00 175.17 175.38 3ist n ALA 226 N -1.53 4.17 -3.04 5.23 0.00 -1.26 -4.81 120.51 119.27 3ist n ALA 226 Ca 0.09 -0.59 -0.12 0.00 0.00 0.00 0.00 53.44 52.83 3ist n ALA 226 Cb 0.53 -0.73 -0.09 0.00 0.00 0.00 0.00 19.45 19.16 3ist n ALA 226 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 3ist s THR 227 N -2.67 0.09 -2.28 0.00 -1.32 -1.26 -5.01 115.64 103.18 3ist s THR 227 Ca 0.11 -0.70 0.21 0.00 -1.21 0.00 0.00 61.69 60.10 3ist s THR 227 Cb 0.16 -0.74 0.46 0.00 -1.51 0.00 0.00 72.50 70.87 3ist s THR 227 CO 0.71 -0.39 1.44 -0.90 -2.21 0.00 0.00 174.62 173.28 3ist n ASP 228 N 0.99 2.88 -4.72 8.08 3.85 -1.26 -4.69 116.55 121.67 3ist n ASP 228 Ca -0.20 -1.93 -0.42 0.00 -0.71 0.00 0.00 54.79 51.53 3ist n ASP 228 Cb 0.57 -0.26 -0.02 0.00 -1.35 0.00 0.00 41.12 40.06 3ist n ASP 228 CO 0.00 0.00 0.00 -1.84 -1.01 0.00 0.00 177.20 174.35 3ist n GLU 229 N 1.10 2.66 -1.95 0.11 0.28 -1.26 -2.14 120.64 119.44 3ist n GLU 229 Ca 0.18 0.95 -0.15 0.00 -0.16 0.00 0.00 57.16 57.99 3ist n GLU 229 Cb 0.50 -2.75 -0.03 0.00 1.43 0.00 0.00 31.44 30.58 3ist n GLU 229 CO 0.00 0.00 0.00 -0.85 -0.16 0.00 0.00 177.13 176.12 3ist n GLU 230 N 2.99 -1.11 -2.25 3.44 0.28 -1.26 -4.97 120.64 117.76 3ist n GLU 230 Ca 0.12 0.83 -0.41 0.00 -0.16 0.00 0.00 57.16 57.54 3ist n GLU 230 Cb 0.35 -5.07 -0.03 0.00 1.43 0.00 0.00 31.44 28.12 3ist n GLU 230 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 3ist s ILE 231 N -2.66 3.09 -0.36 3.84 1.01 -0.91 -4.99 121.20 120.23 3ist s ILE 231 Ca 0.00 1.02 0.00 0.00 0.00 0.00 0.00 60.65 61.68 3ist s ILE 231 Cb 0.00 -3.65 0.14 0.00 0.01 0.00 0.00 42.46 38.96 3ist s ILE 231 CO 0.00 0.21 0.22 -1.61 0.00 0.00 0.00 174.94 173.76 3ist s GLU 232 N -1.12 0.63 0.53 2.79 2.02 -1.26 -5.10 118.70 117.19 3ist s GLU 232 Ca 0.50 -1.43 -0.20 0.00 0.02 0.00 0.00 54.97 53.86 3ist s GLU 232 Cb -0.37 -1.40 -0.06 0.00 0.10 0.00 0.00 34.13 32.40 3ist s GLU 232 CO 0.45 -1.21 1.14 -1.01 0.02 0.00 0.00 175.26 174.65 3ist s HIS 233 N 0.95 2.69 -0.03 1.61 3.76 -1.26 -4.75 115.29 118.26 3ist s HIS 233 Ca 0.19 1.54 0.02 0.00 -0.15 0.00 0.00 55.06 56.66 3ist s HIS 233 Cb -0.22 -3.33 0.01 0.00 1.11 0.00 0.00 32.58 30.15 3ist s HIS 233 CO -0.00 -1.61 -0.09 1.03 -0.85 0.00 0.00 174.74 173.22 3ist s ARG 234 N -3.16 1.04 -0.09 1.40 0.52 -0.28 -4.88 118.95 113.50 3ist s ARG 234 Ca 0.71 -0.30 0.03 0.00 -0.52 0.00 0.00 55.73 55.66 3ist s ARG 234 Cb -0.25 -0.95 -0.01 0.00 0.52 0.00 0.00 34.95 34.25 3ist s ARG 234 CO 0.29 0.08 -0.18 -0.06 0.02 0.00 0.00 175.30 175.45 3ist s PHE 235 N 0.33 2.65 -0.02 -0.53 0.08 -1.24 -1.27 117.98 117.98 3ist s PHE 235 Ca -0.06 -0.63 0.04 0.00 0.12 0.00 0.00 56.93 56.40 3ist s PHE 235 Cb -0.10 -1.71 -0.01 0.00 -0.57 0.00 0.00 43.02 40.63 3ist s PHE 235 CO 0.01 -0.17 -0.15 -0.06 -0.10 0.00 0.00 175.22 174.76 3ist s PHE 236 N -0.01 1.36 0.02 0.36 0.08 0.77 -0.63 117.98 119.93 3ist s PHE 236 Ca -0.06 -0.30 -0.00 0.00 0.12 0.00 0.00 56.93 56.69 3ist s PHE 236 Cb -0.15 -0.89 -0.02 0.00 -0.57 0.00 0.00 43.02 41.39 3ist s PHE 236 CO 0.05 -0.06 -0.02 -0.08 -0.10 0.00 0.00 175.22 175.01 3ist s THR 237 N -0.20 0.10 -0.87 0.64 -1.32 0.07 -0.95 115.64 113.11 3ist s THR 237 Ca 0.03 -0.82 0.26 0.00 -1.21 0.00 0.00 61.69 59.94 3ist s THR 237 Cb -0.07 -0.25 0.09 0.00 -1.51 0.00 0.00 72.50 70.76 3ist s THR 237 CO 0.00 -0.45 1.52 0.35 -2.21 0.00 0.00 174.62 173.83 3ist n THR 238 N 1.73 0.16 -1.20 5.08 -2.24 -1.09 -0.86 114.28 115.86 3ist n THR 238 Ca -0.23 -0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.44 3ist n THR 238 Cb 0.55 -0.09 0.00 0.00 -2.10 0.00 0.00 70.33 68.69 3ist n THR 238 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ist n GLY 239 N 1.43 2.22 3.69 3.38 0.00 -1.26 -4.40 105.19 110.25 3ist n GLY 239 Ca 0.05 -1.91 -0.42 0.00 0.00 0.00 0.00 46.02 43.74 3ist n GLY 239 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3ist s SER 240 N -0.82 6.58 0.27 1.61 0.15 -1.26 -4.89 113.70 115.34 3ist s SER 240 Ca 0.00 2.51 0.05 0.00 0.70 0.00 0.00 55.95 59.22 3ist s SER 240 Cb 0.00 -2.56 0.38 0.00 -1.71 0.00 0.00 66.02 62.13 3ist s SER 240 CO 0.00 -0.91 1.65 0.71 1.20 0.00 0.00 173.24 175.89 3ist h THR 241 N 4.89 1.34 -0.21 6.45 1.35 -1.92 -2.85 112.91 121.96 3ist h THR 241 Ca -0.43 -1.68 -0.11 0.00 -0.55 0.00 0.00 66.41 63.65 3ist h THR 241 Cb 1.20 1.79 -0.00 0.00 -1.73 0.00 0.00 68.15 69.41 3ist h THR 241 CO 0.93 0.50 -0.28 -0.61 -0.25 0.00 0.00 175.52 175.81 3ist h GLN 242 N 0.20 0.56 -0.41 4.72 5.75 -1.94 -0.13 115.11 123.87 3ist h GLN 242 Ca 0.01 -0.32 -0.10 0.00 -0.15 0.00 0.00 58.65 58.09 3ist h GLN 242 Cb 0.92 0.02 -0.02 0.00 1.07 0.00 0.00 27.48 29.47 3ist h GLN 242 CO 0.07 0.92 -0.14 0.82 -2.65 0.00 0.00 178.83 177.85 3ist h ILE 243 N 0.24 1.26 0.20 2.39 2.04 -1.97 -0.51 117.51 121.17 3ist h ILE 243 Ca 0.02 -1.21 -0.01 0.00 1.00 0.00 0.00 64.86 64.67 3ist h ILE 243 Cb 0.85 1.10 0.00 0.00 -0.74 0.00 0.00 36.82 38.04 3ist h ILE 243 CO 0.07 0.41 -0.10 0.15 0.00 0.00 0.00 178.15 178.68 3ist h PHE 244 N 0.68 -0.25 -0.76 1.37 3.57 -1.45 -2.65 116.94 117.46 3ist h PHE 244 Ca 0.11 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.65 3ist h PHE 244 Cb 0.62 0.08 -0.05 0.00 2.79 0.00 0.00 35.95 39.39 3ist h PHE 244 CO 0.03 -0.00 0.46 -0.22 -2.23 0.00 0.00 178.31 176.35 3ist h LYS 245 N -0.47 0.84 -0.78 1.11 3.64 -0.83 0.21 116.57 120.30 3ist h LYS 245 Ca -0.03 -0.05 0.09 0.00 -1.27 0.00 0.00 60.65 59.39 3ist h LYS 245 Cb 0.36 -0.19 -0.07 0.00 -0.41 0.00 0.00 32.23 31.92 3ist h LYS 245 CO 0.04 0.56 0.43 -0.44 -2.27 0.00 0.00 179.45 177.77 3ist h ASP 246 N 0.87 0.61 0.11 4.20 3.32 -0.97 0.12 116.42 124.68 3ist h ASP 246 Ca 0.32 0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.41 3ist h ASP 246 Cb 0.11 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.59 3ist h ASP 246 CO -0.15 0.36 -0.05 0.40 -1.72 0.00 0.00 179.24 178.08 3ist h ILE 247 N 0.74 1.08 -0.77 0.35 2.04 -1.01 -3.30 117.51 116.64 3ist h ILE 247 Ca 0.37 -1.13 -0.04 0.00 1.00 0.00 0.00 64.86 65.07 3ist h ILE 247 Cb 0.33 1.76 -0.03 0.00 -0.74 0.00 0.00 36.82 38.13 3ist h ILE 247 CO -0.24 0.26 0.33 0.00 0.00 0.00 0.00 178.15 178.50 3ist h ALA 248 N 0.04 1.14 0.00 1.87 0.00 -0.36 -1.69 119.26 120.25 3ist h ALA 248 Ca -0.02 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.67 3ist h ALA 248 Cb 0.54 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3ist h ALA 248 CO 0.03 0.63 -0.23 1.57 0.00 0.00 0.00 179.25 181.25 3ist h LYS 249 N 1.10 0.00 0.17 0.00 2.10 -0.90 -0.59 116.57 118.46 3ist h LYS 249 Ca 0.26 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.90 3ist h LYS 249 Cb 0.17 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.50 3ist h LYS 249 CO -0.03 0.23 -0.08 0.22 -2.00 0.00 0.00 179.45 177.79 3ist h ASP 250 N 0.00 -0.20 -0.70 7.07 1.82 -1.53 -2.37 116.42 120.51 3ist h ASP 250 Ca -0.00 -0.03 0.00 0.00 -0.39 0.00 0.00 57.03 56.61 3ist h ASP 250 Cb 0.46 0.05 -0.03 0.00 0.68 0.00 0.00 39.33 40.49 3ist h ASP 250 CO 0.03 0.29 0.45 -0.50 -1.61 0.00 0.00 179.24 177.90 3ist h TRP 251 N -1.06 0.90 -0.02 0.28 4.06 -1.22 -2.23 115.95 116.67 3ist h TRP 251 Ca -0.02 0.01 0.00 0.00 2.06 0.00 0.00 58.89 60.94 3ist h TRP 251 Cb 0.21 -0.30 0.00 0.00 -1.00 0.00 0.00 29.16 28.07 3ist h TRP 251 CO 0.01 0.58 -0.02 1.28 -3.56 0.00 0.00 178.44 176.73 3ist n LEU 252 N -4.41 2.08 -2.66 -4.49 4.77 -0.24 -4.94 117.00 107.11 3ist n LEU 252 Ca 0.07 -0.69 -0.02 0.00 -0.03 0.00 0.00 56.01 55.34 3ist n LEU 252 Cb 0.05 -0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.12 3ist n LEU 252 CO 0.36 0.35 -0.29 0.59 -1.33 0.00 0.00 177.39 177.07 3ist n ASN 253 N 0.60 -4.30 0.00 -1.43 3.02 -0.84 -5.03 115.26 107.28 3ist n ASN 253 Ca 0.17 1.22 0.00 0.00 -0.03 0.00 0.00 54.58 55.94 3ist n ASN 253 Cb 0.45 -3.26 0.00 0.00 -0.61 0.00 0.00 39.78 36.36 3ist n ASN 253 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99 3ist n PRO 255 N 2.10 0.00 -3.39 3.52 -0.02 -1.26 -5.04 135.00 130.91 3ist n PRO 255 Ca -0.14 0.00 -0.45 0.00 -2.02 0.00 0.00 63.50 60.88 3ist n PRO 255 Cb 0.22 -0.13 -0.03 0.00 -0.02 0.00 0.00 33.50 33.55 3ist n PRO 255 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3ist s ASP 256 N -1.08 6.60 -0.11 2.55 1.01 -1.26 -5.04 116.67 119.33 3ist s ASP 256 Ca 0.00 -2.81 -0.09 0.00 0.71 0.00 0.00 52.55 50.35 3ist s ASP 256 Cb 0.00 -2.16 0.03 0.00 1.01 0.00 0.00 42.92 41.81 3ist s ASP 256 CO 0.00 -0.51 0.30 -0.89 0.21 0.00 0.00 175.17 174.27 3ist s THR 258 N -0.02 -0.01 -0.13 -1.27 2.01 -1.26 -5.22 115.64 109.74 3ist s THR 258 Ca 0.19 0.03 0.02 0.00 0.31 0.00 0.00 61.69 62.25 3ist s THR 258 Cb -0.11 -0.43 0.00 0.00 0.01 0.00 0.00 72.50 71.97 3ist s THR 258 CO -0.08 0.01 -0.21 -0.69 -0.69 0.00 0.00 174.62 172.96 3ist s VAL 259 N 0.43 2.27 -0.14 3.82 1.01 -1.26 -3.71 120.40 122.82 3ist s VAL 259 Ca -0.02 -0.92 -0.06 0.00 0.00 0.00 0.00 61.98 60.98 3ist s VAL 259 Cb -0.04 -1.91 -0.04 0.00 0.00 0.00 0.00 36.38 34.40 3ist s VAL 259 CO -0.02 0.54 0.06 -1.61 0.00 0.00 0.00 175.10 174.08 3ist s GLU 260 N 0.59 3.52 0.04 2.72 2.02 0.20 -4.95 118.70 122.85 3ist s GLU 260 Ca -0.12 -0.31 -0.25 0.00 0.02 0.00 0.00 54.97 54.32 3ist s GLU 260 Cb -0.16 -3.07 -0.05 0.00 0.10 0.00 0.00 34.13 30.94 3ist s GLU 260 CO 0.03 0.54 0.76 -1.58 0.02 0.00 0.00 175.26 175.04 3ist s HIS 261 N -0.40 3.74 0.18 1.61 5.65 -1.26 -0.75 115.29 124.05 3ist s HIS 261 Ca 0.09 1.47 0.04 0.00 0.25 0.00 0.00 55.06 56.91 3ist s HIS 261 Cb -0.12 -2.82 -0.05 0.00 -1.18 0.00 0.00 32.58 28.42 3ist s HIS 261 CO 0.02 0.27 -0.06 0.96 -0.65 0.00 0.00 174.74 175.29 3ist s ILE 262 N -0.06 1.05 -0.16 0.89 -4.36 -0.04 -4.91 121.20 113.61 3ist s ILE 262 Ca 0.38 -2.04 -0.01 0.00 -0.26 0.00 0.00 60.65 58.72 3ist s ILE 262 Cb -0.20 -2.04 -0.01 0.00 1.25 0.00 0.00 42.46 41.45 3ist s ILE 262 CO 0.23 -0.58 -0.11 -0.75 0.24 0.00 0.00 174.94 173.97 3ist s LYS 263 N -3.81 3.38 -0.02 0.37 2.47 -1.26 -4.27 119.74 116.60 3ist s LYS 263 Ca 0.21 -0.67 0.06 0.00 -1.56 0.00 0.00 55.97 54.01 3ist s LYS 263 Cb 0.04 -2.75 -0.01 0.00 -1.46 0.00 0.00 37.83 33.65 3ist s LYS 263 CO 0.03 0.08 -0.20 -0.51 0.16 0.00 0.00 175.35 174.91 3ist s LEU 264 N 0.72 2.02 0.00 5.43 1.43 -1.26 -5.11 118.68 121.90 3ist s LEU 264 Ca -0.05 -0.37 0.00 0.00 -1.03 0.00 0.00 54.13 52.68 3ist s LEU 264 Cb -0.15 -1.05 0.00 0.00 0.03 0.00 0.00 46.19 45.01 3ist s LEU 264 CO 0.02 0.23 0.00 0.61 0.23 0.00 0.00 176.35 177.44 3ist n GLY 265 N 2.72 0.64 0.00 -3.19 0.00 -1.26 -5.16 105.19 98.94 3ist n GLY 265 Ca -0.16 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.08 3ist n GLY 265 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60