#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uge s HIS 4 N 0.00 2.92 0.68 1.57 4.02 -1.26 -5.07 115.29 118.15 1uge s HIS 4 Ca 0.00 0.02 -0.17 0.00 1.02 0.00 0.00 55.06 55.93 1uge s HIS 4 Cb 0.00 -2.66 0.01 0.00 -1.02 0.00 0.00 32.58 28.91 1uge s HIS 4 CO 0.00 -0.77 1.26 1.67 1.02 0.00 0.00 174.74 177.92 1uge s TRP 5 N -2.71 2.06 0.00 1.40 1.48 -1.26 -4.87 118.94 115.04 1uge s TRP 5 Ca 0.56 1.53 0.00 0.00 -1.06 0.00 0.00 56.10 57.13 1uge s TRP 5 Cb -0.10 -3.61 0.00 0.00 -1.16 0.00 0.00 33.47 28.60 1uge s TRP 5 CO 0.38 -2.80 0.00 0.41 -4.06 0.00 0.00 176.95 170.88 1uge n GLY 6 N 0.72 2.70 0.11 3.67 0.00 -0.36 -5.03 105.19 107.00 1uge n GLY 6 Ca 0.15 -0.48 0.05 0.00 0.00 0.00 0.00 46.02 45.74 1uge n GLY 6 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1uge n TYR 7 N 0.00 0.00 -2.45 1.61 4.01 -1.26 -3.86 117.16 115.21 1uge n TYR 7 Ca 0.00 -0.64 -0.24 0.00 -0.16 0.00 0.00 57.90 56.86 1uge n TYR 7 Cb 0.00 -0.10 0.10 0.00 -0.31 0.00 0.00 39.34 39.04 1uge n TYR 7 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1uge s GLY 8 N -1.87 1.76 0.37 2.72 0.00 -1.26 -4.66 107.32 104.38 1uge s GLY 8 Ca 0.16 -1.49 0.07 0.00 0.00 0.00 0.00 44.72 43.45 1uge s GLY 8 CO 0.02 -0.96 1.97 1.70 0.00 0.00 0.00 173.10 175.83 1uge h LYS 9 N -0.61 0.68 0.00 2.90 1.63 -1.97 0.63 116.57 119.84 1uge h LYS 9 Ca -0.39 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.37 1uge h LYS 9 Cb 1.27 -0.15 0.00 0.00 -0.60 0.00 0.00 32.23 32.75 1uge h LYS 9 CO 0.44 0.45 -1.05 0.72 -3.45 0.00 0.00 179.45 176.56 1uge n HIS 10 N -4.48 0.17 -1.28 1.91 8.25 -1.26 -4.47 115.22 114.07 1uge n HIS 10 Ca 0.10 0.05 0.01 0.00 -0.26 0.00 0.00 57.72 57.62 1uge n HIS 10 Cb 0.22 -0.34 0.01 0.00 1.12 0.00 0.00 29.99 31.00 1uge n HIS 10 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1uge n ASN 11 N -1.86 0.45 -3.14 0.41 6.94 -1.07 -4.95 115.26 112.04 1uge n ASN 11 Ca 0.02 -1.70 -0.18 0.00 -0.02 0.00 0.00 54.58 52.70 1uge n ASN 11 Cb 0.42 -0.12 0.14 0.00 -2.36 0.00 0.00 39.78 37.86 1uge n ASN 11 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1uge n GLY 12 N -0.20 -2.25 0.46 4.83 0.00 0.22 -1.22 105.19 107.02 1uge n GLY 12 Ca 0.02 -1.54 0.33 0.00 0.00 0.00 0.00 46.02 44.82 1uge n GLY 12 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1uge h PRO 13 N 0.00 0.16 0.00 1.61 0.11 -1.84 0.19 132.00 132.22 1uge h PRO 13 Ca -0.25 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.85 1uge h PRO 13 Cb 0.75 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.82 1uge h PRO 13 CO 0.17 0.11 0.00 -0.85 -0.21 0.00 0.00 178.00 177.21 1uge n GLU 14 N -4.64 0.00 -0.01 1.05 0.00 -1.26 -2.94 120.64 112.85 1uge n GLU 14 Ca 0.34 0.14 0.08 0.00 0.00 0.00 0.00 57.16 57.71 1uge n GLU 14 Cb 1.28 -1.51 -0.11 0.00 0.00 0.00 0.00 31.44 31.10 1uge n GLU 14 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 1uge n HIS 15 N -1.51 0.00 -0.33 -1.84 8.25 0.64 -4.63 115.22 115.80 1uge n HIS 15 Ca 0.05 0.00 0.27 0.00 -0.26 0.00 0.00 57.72 57.78 1uge n HIS 15 Cb 0.25 -0.27 0.58 0.00 1.12 0.00 0.00 29.99 31.67 1uge n HIS 15 CO 0.00 0.00 0.00 -1.49 0.64 0.00 0.00 176.34 175.49 1uge h TRP 16 N 0.00 0.47 -0.09 4.41 6.55 -1.40 -1.58 115.95 124.31 1uge h TRP 16 Ca 0.00 0.02 0.03 0.00 0.95 0.00 0.00 58.89 59.88 1uge h TRP 16 Cb 0.63 -0.13 -0.00 0.00 -0.86 0.00 0.00 29.16 28.80 1uge h TRP 16 CO 0.00 0.02 0.07 1.12 -1.05 0.00 0.00 178.44 178.61 1uge h HIS 17 N 0.26 0.00 -0.76 0.49 2.07 -1.79 0.45 115.15 115.87 1uge h HIS 17 Ca 0.60 0.00 -0.04 0.00 -2.85 0.00 0.00 60.37 58.08 1uge h HIS 17 Cb 1.77 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 31.72 1uge h HIS 17 CO -0.00 0.00 0.33 0.87 -3.07 0.00 0.00 177.93 176.06 1uge h LYS 18 N 0.00 1.11 0.00 5.12 1.57 -1.64 -2.62 116.57 120.11 1uge h LYS 18 Ca 0.04 -0.18 -0.02 0.00 -1.87 0.00 0.00 60.65 58.63 1uge h LYS 18 Cb 0.18 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.30 1uge h LYS 18 CO -0.00 0.88 -1.86 -0.25 -0.57 0.00 0.00 179.45 177.65 1uge n ASP 19 N -4.30 0.14 -3.58 0.86 8.00 -0.92 -4.71 116.55 112.04 1uge n ASP 19 Ca 0.07 0.05 -0.28 0.00 0.71 0.00 0.00 54.79 55.34 1uge n ASP 19 Cb 0.16 1.71 -0.11 0.00 -0.02 0.00 0.00 41.12 42.85 1uge n ASP 19 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1uge s PHE 20 N -3.45 1.71 0.56 1.24 0.08 0.10 -5.00 117.98 113.23 1uge s PHE 20 Ca -0.07 -2.42 0.30 0.00 0.12 0.00 0.00 56.93 54.86 1uge s PHE 20 Cb 0.13 -1.49 1.46 0.00 -0.57 0.00 0.00 43.02 42.55 1uge s PHE 20 CO 0.89 -0.77 1.89 -1.35 -0.10 0.00 0.00 175.22 175.78 1uge h PRO 21 N 6.11 0.00 0.00 0.24 0.11 -1.71 -0.47 132.00 136.28 1uge h PRO 21 Ca 0.14 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.25 1uge h PRO 21 Cb 0.90 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.01 1uge h PRO 21 CO 0.44 0.00 0.00 1.51 -0.21 0.00 0.00 178.00 179.74 1uge n ILE 22 N -3.99 1.53 0.18 4.15 3.06 -1.26 -2.08 119.36 120.94 1uge n ILE 22 Ca 0.13 0.38 0.17 0.00 -2.50 0.00 0.00 62.75 60.93 1uge n ILE 22 Cb 0.81 -1.29 0.80 0.00 0.54 0.00 0.00 39.64 40.50 1uge n ILE 22 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1uge h ALA 23 N 2.20 1.91 -0.54 1.51 0.00 -1.41 0.31 119.26 123.24 1uge h ALA 23 Ca 0.00 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.70 1uge h ALA 23 Cb 0.09 0.02 -0.12 0.00 0.00 0.00 0.00 17.79 17.78 1uge h ALA 23 CO 0.00 -0.33 0.15 1.63 0.00 0.00 0.00 179.25 180.70 1uge n LYS 24 N -3.91 2.66 -0.14 0.00 5.02 -0.89 -4.96 118.16 115.94 1uge n LYS 24 Ca 0.02 -3.06 -0.03 0.00 -2.02 0.00 0.00 58.31 53.22 1uge n LYS 24 Cb 0.35 -1.99 0.03 0.00 -0.02 0.00 0.00 35.03 33.40 1uge n LYS 24 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1uge n GLY 25 N -0.73 -2.10 0.13 0.72 0.00 0.11 -5.01 105.19 98.31 1uge n GLY 25 Ca 0.37 -1.52 0.05 0.00 0.00 0.00 0.00 46.02 44.92 1uge n GLY 25 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1uge h GLU 26 N 0.00 0.00 -2.01 1.61 4.39 -1.95 -3.39 114.58 113.22 1uge h GLU 26 Ca -0.05 0.00 -0.51 0.00 0.34 0.00 0.00 59.36 59.15 1uge h GLU 26 Cb 0.14 0.00 -0.41 0.00 -0.10 0.00 0.00 28.75 28.38 1uge h GLU 26 CO 0.03 0.27 -1.03 2.89 -1.16 0.00 0.00 179.01 180.01 1uge n ARG 27 N -3.00 1.69 -2.97 2.33 1.85 -1.26 -4.65 116.66 110.65 1uge n ARG 27 Ca -0.02 -3.82 -0.30 0.00 -1.00 0.00 0.00 57.85 52.71 1uge n ARG 27 Cb 0.71 -1.85 -0.03 0.00 -1.05 0.00 0.00 32.46 30.24 1uge n ARG 27 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 1uge s GLN 28 N -2.79 3.73 0.19 2.89 -1.52 -1.26 -2.63 119.66 118.26 1uge s GLN 28 Ca 0.42 0.34 0.07 0.00 -1.95 0.00 0.00 55.36 54.24 1uge s GLN 28 Cb 0.34 -2.45 -0.05 0.00 -0.22 0.00 0.00 33.01 30.63 1uge s GLN 28 CO -0.09 0.02 -0.14 -1.12 -0.25 0.00 0.00 175.29 173.71 1uge s SER 29 N -3.20 2.44 0.97 5.90 0.01 -1.26 -4.65 113.70 113.91 1uge s SER 29 Ca 0.49 -1.00 -0.14 0.00 1.31 0.00 0.00 55.95 56.61 1uge s SER 29 Cb -0.10 -0.12 0.21 0.00 0.21 0.00 0.00 66.02 66.22 1uge s SER 29 CO 0.31 -0.18 1.26 -0.81 0.41 0.00 0.00 173.24 174.23 1uge n PRO 30 N -0.27 -1.13 -4.13 12.44 -0.04 -1.26 -4.63 135.00 135.98 1uge n PRO 30 Ca -0.09 -2.08 -0.09 0.00 -0.04 0.00 0.00 63.50 61.20 1uge n PRO 30 Cb 0.60 -1.25 -0.10 0.00 -0.04 0.00 0.00 33.50 32.71 1uge n PRO 30 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1uge s VAL 31 N -3.73 0.12 -0.04 0.52 -7.23 -1.26 0.09 120.40 108.87 1uge s VAL 31 Ca 0.72 -1.86 -0.21 0.00 -1.81 0.00 0.00 61.98 58.81 1uge s VAL 31 Cb -0.02 -1.95 -0.05 0.00 0.56 0.00 0.00 36.38 34.92 1uge s VAL 31 CO 0.50 -0.53 0.62 -0.62 -0.31 0.00 0.00 175.10 174.76 1uge s ASP 32 N -3.02 6.95 -0.49 4.85 2.15 -1.26 -3.23 116.67 122.61 1uge s ASP 32 Ca 0.21 1.14 -0.18 0.00 0.43 0.00 0.00 52.55 54.15 1uge s ASP 32 Cb 0.07 -2.37 0.06 0.00 -0.30 0.00 0.00 42.92 40.38 1uge s ASP 32 CO -0.00 0.02 0.56 -0.63 -0.17 0.00 0.00 175.17 174.94 1uge s ILE 33 N 0.23 4.97 -0.59 4.11 1.01 0.65 -4.94 121.20 126.65 1uge s ILE 33 Ca 0.33 -0.59 -0.25 0.00 0.00 0.00 0.00 60.65 60.13 1uge s ILE 33 Cb -0.18 -4.23 0.04 0.00 0.01 0.00 0.00 42.46 38.10 1uge s ILE 33 CO 0.17 -0.71 1.03 -0.62 0.00 0.00 0.00 174.94 174.80 1uge s ASP 34 N 2.57 6.32 0.63 3.58 -1.08 -1.26 -0.33 116.67 127.10 1uge s ASP 34 Ca 0.12 -0.36 0.42 0.00 -0.52 0.00 0.00 52.55 52.22 1uge s ASP 34 Cb -0.20 -2.47 2.24 0.00 -1.46 0.00 0.00 42.92 41.03 1uge s ASP 34 CO 0.11 -1.36 2.28 0.71 0.52 0.00 0.00 175.17 177.43 1uge h THR 35 N 6.04 0.00 0.00 1.71 1.35 -1.95 -1.71 112.91 118.35 1uge h THR 35 Ca -0.26 -0.06 0.00 0.00 -0.55 0.00 0.00 66.41 65.54 1uge h THR 35 Cb 1.07 1.02 0.00 0.00 -1.73 0.00 0.00 68.15 68.51 1uge h THR 35 CO 1.14 0.00 -0.58 1.41 -0.25 0.00 0.00 175.52 177.24 1uge n HIS 36 N -3.02 0.06 0.18 4.73 8.25 -1.26 -4.06 115.22 120.10 1uge n HIS 36 Ca -0.02 0.02 0.07 0.00 -0.26 0.00 0.00 57.72 57.52 1uge n HIS 36 Cb 0.09 -0.28 -0.10 0.00 1.12 0.00 0.00 29.99 30.83 1uge n HIS 36 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 1uge n THR 37 N -1.58 0.00 -1.89 1.59 -1.04 -0.70 -4.99 114.28 105.67 1uge n THR 37 Ca 0.05 -0.27 -0.41 0.00 -2.04 0.00 0.00 64.05 61.37 1uge n THR 37 Cb 0.35 0.44 -0.02 0.00 -1.82 0.00 0.00 70.33 69.28 1uge n THR 37 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1uge s ALA 38 N -2.72 3.67 -0.33 2.41 0.00 -0.85 -4.83 121.76 119.11 1uge s ALA 38 Ca -0.02 1.46 -0.22 0.00 0.00 0.00 0.00 51.96 53.18 1uge s ALA 38 Cb 0.09 -3.60 0.00 0.00 0.00 0.00 0.00 23.12 19.61 1uge s ALA 38 CO 0.55 -0.88 0.72 0.21 0.00 0.00 0.00 175.76 176.37 1uge s LYS 39 N -0.69 3.84 0.02 0.00 2.36 0.51 -4.78 119.74 121.00 1uge s LYS 39 Ca 0.60 0.35 -0.30 0.00 -2.55 0.00 0.00 55.97 54.07 1uge s LYS 39 Cb -0.45 -3.76 -0.07 0.00 -1.05 0.00 0.00 37.83 32.50 1uge s LYS 39 CO 0.48 -0.71 1.53 -0.47 1.55 0.00 0.00 175.35 177.73 1uge s TYR 40 N 2.87 2.58 -0.30 4.03 5.04 -1.26 -0.70 117.35 129.60 1uge s TYR 40 Ca 0.29 0.54 -0.01 0.00 -2.44 0.00 0.00 57.07 55.45 1uge s TYR 40 Cb -0.14 -3.82 0.06 0.00 0.35 0.00 0.00 41.96 38.41 1uge s TYR 40 CO 0.14 -3.19 0.00 0.34 -1.34 0.00 0.00 175.55 171.50 1uge s ASP 41 N 2.26 4.84 0.32 4.32 -1.08 -0.53 -4.89 116.67 121.92 1uge s ASP 41 Ca 0.69 -1.39 0.26 0.00 -0.52 0.00 0.00 52.55 51.59 1uge s ASP 41 Cb -0.35 -1.69 1.08 0.00 -1.46 0.00 0.00 42.92 40.50 1uge s ASP 41 CO 0.29 -0.28 1.77 1.55 0.52 0.00 0.00 175.17 179.02 1uge h PRO 42 N 7.95 0.00 -0.01 4.34 0.13 -1.93 -2.70 132.00 139.78 1uge h PRO 42 Ca -0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.94 1uge h PRO 42 Cb 1.05 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.18 1uge h PRO 42 CO 0.53 0.00 -0.10 -1.13 -0.23 0.00 0.00 178.00 177.08 1uge n SER 43 N -2.40 0.72 -4.65 1.44 3.41 -1.26 -4.84 113.62 106.04 1uge n SER 43 Ca 0.02 -0.88 -0.43 0.00 -0.26 0.00 0.00 58.87 57.32 1uge n SER 43 Cb 0.23 -0.01 -0.02 0.00 -0.26 0.00 0.00 64.21 64.14 1uge n SER 43 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1uge s LEU 44 N -2.32 4.09 0.71 1.04 1.43 -1.02 -5.01 118.68 117.61 1uge s LEU 44 Ca 0.32 1.72 -0.11 0.00 -1.03 0.00 0.00 54.13 55.03 1uge s LEU 44 Cb 0.20 -3.54 0.02 0.00 0.03 0.00 0.00 46.19 42.91 1uge s LEU 44 CO 0.44 -0.99 1.07 -0.54 0.23 0.00 0.00 176.35 176.56 1uge s LYS 45 N 4.05 2.78 0.54 1.70 3.01 -1.23 -4.96 119.74 125.63 1uge s LYS 45 Ca 0.64 0.92 -0.21 0.00 -1.01 0.00 0.00 55.97 56.32 1uge s LYS 45 Cb -0.24 -1.97 -0.05 0.00 -1.01 0.00 0.00 37.83 34.55 1uge s LYS 45 CO 0.23 -1.20 1.20 -2.14 0.51 0.00 0.00 175.35 173.95 1uge s PRO 46 N -5.05 3.31 0.51 -1.68 0.02 -1.26 -2.53 135.00 128.32 1uge s PRO 46 Ca 0.59 1.83 -0.21 0.00 0.02 0.00 0.00 61.00 63.22 1uge s PRO 46 Cb -0.14 -2.14 -0.07 0.00 0.02 0.00 0.00 34.50 32.18 1uge s PRO 46 CO 0.55 -0.93 1.14 -0.51 -0.33 0.00 0.00 177.00 176.92 1uge s LEU 47 N -3.62 3.86 -0.27 -5.54 1.43 -1.26 -0.79 118.68 112.49 1uge s LEU 47 Ca 0.71 2.23 0.01 0.00 -1.03 0.00 0.00 54.13 56.06 1uge s LEU 47 Cb -0.30 -4.43 0.08 0.00 0.03 0.00 0.00 46.19 41.56 1uge s LEU 47 CO 0.34 -1.08 -0.01 -0.55 0.23 0.00 0.00 176.35 175.28 1uge s SER 48 N -1.60 4.13 -0.34 2.29 0.15 0.11 -4.82 113.70 113.62 1uge s SER 48 Ca 0.69 -1.49 -0.09 0.00 0.70 0.00 0.00 55.95 55.76 1uge s SER 48 Cb -0.26 -1.25 0.02 0.00 -1.71 0.00 0.00 66.02 62.83 1uge s SER 48 CO 0.30 -0.30 0.15 -0.69 1.20 0.00 0.00 173.24 173.90 1uge s VAL 49 N 1.30 4.21 -0.57 4.45 1.01 -1.26 -1.03 120.40 128.51 1uge s VAL 49 Ca 0.00 -0.88 0.00 0.00 0.00 0.00 0.00 61.98 61.11 1uge s VAL 49 Cb -0.19 -3.31 0.15 0.00 0.00 0.00 0.00 36.38 33.03 1uge s VAL 49 CO -0.10 -0.13 0.35 -0.44 0.00 0.00 0.00 175.10 174.78 1uge s SER 50 N 1.50 4.86 0.00 3.32 0.01 -0.28 -4.90 113.70 118.22 1uge s SER 50 Ca 0.01 -2.88 0.12 0.00 1.31 0.00 0.00 55.95 54.51 1uge s SER 50 Cb -0.19 -1.76 0.26 0.00 0.21 0.00 0.00 66.02 64.54 1uge s SER 50 CO 0.05 -0.32 1.15 -1.22 0.41 0.00 0.00 173.24 173.31 1uge n TYR 51 N 3.38 0.34 0.33 2.43 4.01 -1.26 -1.29 117.16 125.10 1uge n TYR 51 Ca 0.06 -0.33 0.20 0.00 -0.16 0.00 0.00 57.90 57.68 1uge n TYR 51 Cb 0.36 -0.02 1.09 0.00 -0.31 0.00 0.00 39.34 40.47 1uge n TYR 51 CO 0.00 0.00 0.00 0.38 -0.46 0.00 0.00 176.86 176.78 1uge h ASP 52 N 2.36 0.00 -0.29 7.72 2.03 -1.91 -1.84 116.42 124.49 1uge h ASP 52 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1uge h ASP 52 Cb 0.68 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.18 1uge h ASP 52 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 179.24 178.21 1uge n GLN 53 N -3.16 2.95 -1.72 4.15 1.13 -1.19 -5.04 117.38 114.50 1uge n GLN 53 Ca -0.02 -2.62 -0.43 0.00 -1.94 0.00 0.00 57.00 51.99 1uge n GLN 53 Cb 0.15 -1.69 -0.01 0.00 0.11 0.00 0.00 30.24 28.80 1uge n GLN 53 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1uge n ALA 54 N -0.19 1.80 -3.84 -1.58 0.00 -0.69 -4.57 120.51 111.43 1uge n ALA 54 Ca 0.19 0.37 -0.30 0.00 0.00 0.00 0.00 53.44 53.70 1uge n ALA 54 Cb 0.76 -2.35 -0.15 0.00 0.00 0.00 0.00 19.45 17.72 1uge n ALA 54 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1uge s THR 55 N -0.54 1.44 0.46 0.00 2.01 -1.26 -4.89 115.64 112.86 1uge s THR 55 Ca 0.61 -1.82 -0.20 0.00 0.31 0.00 0.00 61.69 60.58 1uge s THR 55 Cb -0.55 -2.07 -0.10 0.00 0.01 0.00 0.00 72.50 69.79 1uge s THR 55 CO 0.56 -0.66 0.98 -0.94 -0.69 0.00 0.00 174.62 173.86 1uge s SER 56 N 1.28 6.73 0.00 3.53 1.04 -1.26 -0.85 113.70 124.17 1uge s SER 56 Ca 0.11 1.72 0.00 0.00 0.48 0.00 0.00 55.95 58.26 1uge s SER 56 Cb -0.18 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.40 1uge s SER 56 CO -0.18 -0.51 0.00 0.18 0.98 0.00 0.00 173.24 173.72 1uge n LEU 57 N -0.91 0.79 -3.83 2.42 4.77 0.16 -4.10 117.00 116.29 1uge n LEU 57 Ca 0.07 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.96 1uge n LEU 57 Cb 0.54 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.58 1uge n LEU 57 CO 0.39 0.07 0.17 -0.60 -1.33 0.00 0.00 177.39 176.09 1uge s ARG 58 N -1.94 1.31 -0.01 3.23 3.52 -1.22 -1.34 118.95 122.49 1uge s ARG 58 Ca 0.00 -0.99 0.05 0.00 -0.13 0.00 0.00 55.73 54.66 1uge s ARG 58 Cb 0.00 0.47 -0.01 0.00 -1.56 0.00 0.00 34.95 33.85 1uge s ARG 58 CO 0.00 -0.53 -0.15 -1.50 -0.81 0.00 0.00 175.30 172.31 1uge s ILE 59 N -3.91 1.20 -0.08 4.11 2.07 -0.28 -0.77 121.20 123.53 1uge s ILE 59 Ca 0.12 -0.64 -0.07 0.00 -1.41 0.00 0.00 60.65 58.65 1uge s ILE 59 Cb 0.01 -1.00 0.02 0.00 0.13 0.00 0.00 42.46 41.61 1uge s ILE 59 CO -0.01 0.34 0.20 -0.22 -1.91 0.00 0.00 174.94 173.34 1uge s LEU 60 N -0.31 1.16 -0.33 8.50 2.96 -0.26 -0.96 118.68 129.45 1uge s LEU 60 Ca 0.05 0.41 -0.14 0.00 -0.22 0.00 0.00 54.13 54.23 1uge s LEU 60 Cb -0.06 0.69 -0.02 0.00 0.50 0.00 0.00 46.19 47.30 1uge s LEU 60 CO -0.00 -0.08 0.31 0.21 -1.32 0.00 0.00 176.35 175.47 1uge s ASN 61 N 0.21 6.13 -0.06 3.68 3.84 -0.47 -0.66 114.94 127.61 1uge s ASN 61 Ca -0.01 -0.25 0.21 0.00 0.21 0.00 0.00 52.86 53.02 1uge s ASN 61 Cb -0.02 -2.17 0.70 0.00 -0.55 0.00 0.00 41.25 39.20 1uge s ASN 61 CO -0.00 -0.28 1.60 -0.46 -2.79 0.00 0.00 177.10 175.17 1uge n ASN 62 N 5.27 4.43 0.00 -4.21 0.23 -0.48 -0.73 115.26 119.77 1uge n ASN 62 Ca -0.10 -2.24 0.00 0.00 -0.53 0.00 0.00 54.58 51.71 1uge n ASN 62 Cb 0.50 -0.55 0.00 0.00 -2.08 0.00 0.00 39.78 37.65 1uge n ASN 62 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1uge n GLY 63 N 1.42 1.24 0.00 4.83 0.00 -1.25 -4.76 105.19 106.66 1uge n GLY 63 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.28 1uge n GLY 63 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1uge n HIS 64 N -2.00 0.00 -3.56 1.61 8.25 -1.26 -4.69 115.22 113.57 1uge n HIS 64 Ca 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.44 1uge n HIS 64 Cb 0.00 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.12 1uge n HIS 64 CO 0.00 0.00 0.00 1.47 0.64 0.00 0.00 176.34 178.45 1uge n LEU 65 N -2.24 0.00 -4.38 2.41 -0.00 -1.26 -4.88 117.00 106.66 1uge n LEU 65 Ca 0.00 -0.74 -0.32 0.00 -0.00 0.00 0.00 56.01 54.95 1uge n LEU 65 Cb 0.38 1.30 -0.15 0.00 -0.00 0.00 0.00 43.42 44.96 1uge n LEU 65 CO 0.00 -0.25 -0.50 0.72 -0.00 0.00 0.00 177.39 177.37 1uge s PHE 66 N -4.77 2.60 -0.09 1.47 -0.12 -1.26 -1.39 117.98 114.43 1uge s PHE 66 Ca 0.09 -0.45 0.01 0.00 -0.05 0.00 0.00 56.93 56.53 1uge s PHE 66 Cb -0.01 -1.65 -0.02 0.00 -0.63 0.00 0.00 43.02 40.70 1uge s PHE 66 CO 0.03 -0.03 -0.10 -0.80 -0.05 0.00 0.00 175.22 174.26 1uge s ASN 67 N -0.34 4.31 -0.23 1.98 0.02 0.16 -4.29 114.94 116.55 1uge s ASN 67 Ca 0.02 -0.18 -0.09 0.00 -1.02 0.00 0.00 52.86 51.60 1uge s ASN 67 Cb -0.13 -1.30 -0.04 0.00 0.02 0.00 0.00 41.25 39.80 1uge s ASN 67 CO 0.02 0.27 0.13 -0.69 0.02 0.00 0.00 177.10 176.85 1uge s VAL 68 N -0.27 5.03 -0.00 1.60 1.01 -0.50 -1.10 120.40 126.16 1uge s VAL 68 Ca 0.03 0.06 -0.01 0.00 0.00 0.00 0.00 61.98 62.06 1uge s VAL 68 Cb -0.13 -3.34 -0.04 0.00 0.00 0.00 0.00 36.38 32.88 1uge s VAL 68 CO 0.03 0.36 0.10 -1.61 0.00 0.00 0.00 175.10 173.98 1uge s GLU 69 N 1.11 3.14 0.20 2.72 2.02 0.05 -1.95 118.70 125.99 1uge s GLU 69 Ca 0.06 -0.45 0.10 0.00 0.02 0.00 0.00 54.97 54.70 1uge s GLU 69 Cb -0.14 -2.91 -0.04 0.00 0.10 0.00 0.00 34.13 31.14 1uge s GLU 69 CO 0.04 0.65 -0.21 -0.06 0.02 0.00 0.00 175.26 175.71 1uge s PHE 70 N -1.23 2.11 -0.46 1.61 0.40 -0.25 -0.67 117.98 119.48 1uge s PHE 70 Ca 0.24 -0.40 -0.29 0.00 -0.60 0.00 0.00 56.93 55.88 1uge s PHE 70 Cb -0.12 -1.01 0.02 0.00 0.51 0.00 0.00 43.02 42.42 1uge s PHE 70 CO 0.15 0.49 1.23 0.34 0.70 0.00 0.00 175.22 178.13 1uge s ASP 71 N -2.90 6.53 -0.40 1.36 2.15 -0.03 -4.83 116.67 118.54 1uge s ASP 71 Ca 0.21 0.55 0.05 0.00 0.43 0.00 0.00 52.55 53.80 1uge s ASP 71 Cb -0.06 -2.55 0.50 0.00 -0.30 0.00 0.00 42.92 40.51 1uge s ASP 71 CO 0.10 -1.33 1.58 -0.90 -0.17 0.00 0.00 175.17 174.45 1uge n ASP 72 N 8.20 4.54 -0.05 -0.34 5.75 -1.26 -4.58 116.55 128.81 1uge n ASP 72 Ca 0.13 -3.77 0.13 0.00 -0.01 0.00 0.00 54.79 51.28 1uge n ASP 72 Cb 0.49 -0.66 0.46 0.00 -1.03 0.00 0.00 41.12 40.37 1uge n ASP 72 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 1uge n SER 73 N -0.97 0.38 -3.87 -1.12 3.41 -1.26 -4.88 113.62 105.32 1uge n SER 73 Ca 0.46 -0.15 -0.09 0.00 -0.26 0.00 0.00 58.87 58.82 1uge n SER 73 Cb 0.99 -0.06 -0.06 0.00 -0.26 0.00 0.00 64.21 64.81 1uge n SER 73 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1uge s GLN 74 N -2.83 1.07 -0.97 4.33 -0.21 -1.26 -5.06 119.66 114.72 1uge s GLN 74 Ca 0.17 -1.02 -0.20 0.00 0.02 0.00 0.00 55.36 54.33 1uge s GLN 74 Cb 0.19 0.39 -0.10 0.00 1.00 0.00 0.00 33.01 34.49 1uge s GLN 74 CO 0.58 -0.39 1.99 -0.25 -2.12 0.00 0.00 175.29 175.10 1uge n ASP 75 N -0.18 2.94 -0.04 5.90 9.92 -1.26 -4.54 116.55 129.29 1uge n ASP 75 Ca -0.11 -2.72 -0.22 0.00 -0.53 0.00 0.00 54.79 51.21 1uge n ASP 75 Cb 0.63 -1.30 -0.13 0.00 -0.64 0.00 0.00 41.12 39.68 1uge n ASP 75 CO 0.00 0.00 0.00 0.11 0.13 0.00 0.00 177.20 177.44 1uge h LYS 76 N 7.58 0.16 -3.97 -1.24 1.57 -1.87 -3.45 116.57 115.36 1uge h LYS 76 Ca 0.44 -0.28 -0.56 0.00 -1.87 0.00 0.00 60.65 58.39 1uge h LYS 76 Cb 0.69 0.10 -0.39 0.00 0.08 0.00 0.00 32.23 32.71 1uge h LYS 76 CO 1.88 1.13 -0.78 0.00 -0.57 0.00 0.00 179.45 181.12 1uge s ALA 77 N -2.48 1.45 0.18 3.86 0.00 -1.26 -3.17 121.76 120.34 1uge s ALA 77 Ca -0.25 -0.96 0.03 0.00 0.00 0.00 0.00 51.96 50.78 1uge s ALA 77 Cb 0.06 -1.26 -0.05 0.00 0.00 0.00 0.00 23.12 21.88 1uge s ALA 77 CO 0.70 -1.09 -0.03 0.14 0.00 0.00 0.00 175.76 175.47 1uge s VAL 78 N 1.64 0.93 -0.04 0.00 -7.23 -0.41 -1.70 120.40 113.59 1uge s VAL 78 Ca -0.02 -2.02 0.03 0.00 -1.81 0.00 0.00 61.98 58.15 1uge s VAL 78 Cb -0.17 -2.08 0.01 0.00 0.56 0.00 0.00 36.38 34.69 1uge s VAL 78 CO -0.07 -0.54 -0.10 -0.22 -0.31 0.00 0.00 175.10 173.86 1uge s LEU 79 N -3.20 1.73 0.00 1.32 2.96 0.39 -1.12 118.68 120.75 1uge s LEU 79 Ca 0.22 -0.22 -0.04 0.00 -0.22 0.00 0.00 54.13 53.87 1uge s LEU 79 Cb 0.05 -0.65 0.02 0.00 0.50 0.00 0.00 46.19 46.11 1uge s LEU 79 CO 0.04 0.06 0.41 2.29 -1.32 0.00 0.00 176.35 177.82 1uge n LYS 80 N 3.45 0.59 0.00 1.98 0.00 -0.20 -1.36 118.16 122.61 1uge n LYS 80 Ca -0.20 -1.88 0.00 0.00 -0.00 0.00 0.00 58.31 56.23 1uge n LYS 80 Cb 0.53 1.94 0.00 0.00 -0.00 0.00 0.00 35.03 37.50 1uge n LYS 80 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1uge n GLY 81 N -0.40 -1.24 7.00 2.58 0.00 -1.26 0.04 105.19 111.90 1uge n GLY 81 Ca -0.01 -1.27 0.00 0.00 0.00 0.00 0.00 46.02 44.73 1uge n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uge n GLY 82 N 0.00 2.87 0.44 -0.02 0.00 0.03 -1.36 105.19 107.15 1uge n GLY 82 Ca 0.00 -0.21 0.11 0.00 0.00 0.00 0.00 46.02 45.92 1uge n GLY 82 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1uge n PRO 83 N 14.00 1.59 -3.30 1.61 -0.04 -1.26 -3.56 135.00 144.04 1uge n PRO 83 Ca 0.00 -0.88 -0.31 0.00 -0.04 0.00 0.00 63.50 62.27 1uge n PRO 83 Cb 0.00 -1.40 -0.05 0.00 -0.04 0.00 0.00 33.50 32.01 1uge n PRO 83 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1uge s LEU 84 N -1.68 4.09 -0.17 1.53 1.43 -0.47 -5.07 118.68 118.34 1uge s LEU 84 Ca 0.34 0.93 0.01 0.00 -1.03 0.00 0.00 54.13 54.37 1uge s LEU 84 Cb 0.18 -3.73 0.01 0.00 0.03 0.00 0.00 46.19 42.68 1uge s LEU 84 CO 0.28 -0.16 -0.18 -1.81 0.23 0.00 0.00 176.35 174.70 1uge s ASP 85 N -2.66 3.30 0.00 2.29 1.01 -1.26 -4.41 116.67 114.94 1uge s ASP 85 Ca 0.48 -0.59 0.00 0.00 0.71 0.00 0.00 52.55 53.14 1uge s ASP 85 Cb -0.11 -1.51 0.00 0.00 1.01 0.00 0.00 42.92 42.32 1uge s ASP 85 CO 0.24 0.03 0.00 0.61 0.21 0.00 0.00 175.17 176.26 1uge n GLY 86 N 4.43 0.05 3.84 0.21 0.00 -1.26 -4.97 105.19 107.49 1uge n GLY 86 Ca -0.20 -1.91 -0.36 0.00 0.00 0.00 0.00 46.02 43.55 1uge n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1uge s THR 87 N -1.35 5.22 -0.10 2.61 2.01 -1.26 -4.62 115.64 118.14 1uge s THR 87 Ca 0.00 0.04 0.03 0.00 0.31 0.00 0.00 61.69 62.07 1uge s THR 87 Cb 0.00 -3.28 0.01 0.00 0.01 0.00 0.00 72.50 69.23 1uge s THR 87 CO 0.00 0.57 -0.20 -0.31 -0.69 0.00 0.00 174.62 173.99 1uge s TYR 88 N -1.05 2.28 -0.07 4.92 1.51 -0.47 -1.71 117.35 122.77 1uge s TYR 88 Ca 0.17 -0.99 -0.19 0.00 -1.01 0.00 0.00 57.07 55.05 1uge s TYR 88 Cb -0.12 -1.57 -0.05 0.00 -0.11 0.00 0.00 41.96 40.12 1uge s TYR 88 CO 0.06 -0.44 0.51 1.03 -1.11 0.00 0.00 175.55 175.60 1uge s ARG 89 N 0.60 4.28 -0.01 -0.62 0.52 -0.20 -0.46 118.95 123.06 1uge s ARG 89 Ca -0.14 0.55 -0.30 0.00 -0.52 0.00 0.00 55.73 55.32 1uge s ARG 89 Cb -0.17 -3.38 -0.06 0.00 0.52 0.00 0.00 34.95 31.87 1uge s ARG 89 CO 0.04 0.29 1.50 -1.17 0.02 0.00 0.00 175.30 175.98 1uge s LEU 90 N 0.15 4.32 -0.12 2.53 2.96 -0.69 -1.55 118.68 126.28 1uge s LEU 90 Ca 0.28 2.19 0.05 0.00 -0.22 0.00 0.00 54.13 56.42 1uge s LEU 90 Cb -0.16 -3.55 -0.11 0.00 0.50 0.00 0.00 46.19 42.86 1uge s LEU 90 CO 0.13 -0.80 -0.04 0.00 -1.32 0.00 0.00 176.35 174.32 1uge n ILE 91 N 4.91 0.75 -3.62 6.68 3.06 -0.05 -4.55 119.36 126.54 1uge n ILE 91 Ca 0.15 -0.37 -0.05 0.00 -2.50 0.00 0.00 62.75 59.97 1uge n ILE 91 Cb 0.43 -0.85 -0.02 0.00 0.54 0.00 0.00 39.64 39.74 1uge n ILE 91 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1uge s GLN 92 N -2.26 0.88 0.03 9.51 1.03 -1.21 -1.09 119.66 126.54 1uge s GLN 92 Ca -0.12 -0.42 0.00 0.00 0.04 0.00 0.00 55.36 54.87 1uge s GLN 92 Cb 0.04 0.34 -0.02 0.00 0.03 0.00 0.00 33.01 33.40 1uge s GLN 92 CO 0.37 -0.40 -0.04 -0.59 -2.54 0.00 0.00 175.29 172.10 1uge s PHE 93 N -3.05 0.37 0.28 9.60 -0.12 -0.82 -0.61 117.98 123.62 1uge s PHE 93 Ca 0.09 -0.57 -0.12 0.00 -0.05 0.00 0.00 56.93 56.29 1uge s PHE 93 Cb -0.01 -0.25 0.00 0.00 -0.63 0.00 0.00 43.02 42.13 1uge s PHE 93 CO -0.04 -0.18 0.51 -3.38 -0.05 0.00 0.00 175.22 172.08 1uge s HIS 94 N -1.66 0.45 0.23 3.49 -3.43 -0.63 -1.41 115.29 112.33 1uge s HIS 94 Ca -0.13 -0.81 0.07 0.00 -0.80 0.00 0.00 55.06 53.39 1uge s HIS 94 Cb -0.08 0.21 -0.05 0.00 -1.43 0.00 0.00 32.58 31.22 1uge s HIS 94 CO -0.01 -1.07 -0.11 -0.06 -2.00 0.00 0.00 174.74 171.49 1uge s PHE 95 N -3.72 1.79 -0.03 0.38 0.40 -1.26 -0.39 117.98 115.15 1uge s PHE 95 Ca 0.23 -0.63 0.03 0.00 -0.60 0.00 0.00 56.93 55.96 1uge s PHE 95 Cb -0.01 -0.91 0.00 0.00 0.51 0.00 0.00 43.02 42.61 1uge s PHE 95 CO 0.11 0.31 -0.11 -1.01 0.70 0.00 0.00 175.22 175.23 1uge s HIS 96 N -3.00 1.13 0.19 0.36 3.76 -0.37 -4.76 115.29 112.61 1uge s HIS 96 Ca 0.25 -0.31 -0.08 0.00 -0.15 0.00 0.00 55.06 54.77 1uge s HIS 96 Cb 0.01 -0.81 -0.02 0.00 1.11 0.00 0.00 32.58 32.88 1uge s HIS 96 CO 0.09 -0.14 0.29 1.67 -0.85 0.00 0.00 174.74 175.80 1uge s TRP 97 N 0.26 0.58 0.56 1.40 -2.14 -1.22 -1.24 118.94 117.14 1uge s TRP 97 Ca -0.05 -0.91 0.07 0.00 2.66 0.00 0.00 56.10 57.86 1uge s TRP 97 Cb -0.10 -0.12 0.06 0.00 -3.10 0.00 0.00 33.47 30.20 1uge s TRP 97 CO 0.01 -0.77 0.54 0.20 -2.66 0.00 0.00 176.95 174.27 1uge s GLY 98 N -3.03 2.16 0.26 3.67 0.00 -1.19 -1.07 107.32 108.12 1uge s GLY 98 Ca 0.24 -1.55 0.24 0.00 0.00 0.00 0.00 44.72 43.64 1uge s GLY 98 CO 0.05 -1.86 1.39 1.48 0.00 0.00 0.00 173.10 174.17 1uge h SER 99 N 0.55 0.00 -4.75 1.64 4.64 -1.89 -3.38 113.55 110.36 1uge h SER 99 Ca -0.34 -0.05 -0.21 0.00 -0.47 0.00 0.00 61.79 60.72 1uge h SER 99 Cb 1.30 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 63.23 1uge h SER 99 CO 0.52 0.02 -0.70 -0.76 -0.87 0.00 0.00 176.83 175.04 1uge s LEU 100 N -5.25 2.47 0.63 5.97 1.43 -1.26 -5.05 118.68 117.62 1uge s LEU 100 Ca 0.05 -0.95 0.39 0.00 -1.03 0.00 0.00 54.13 52.60 1uge s LEU 100 Cb 0.09 -0.03 2.10 0.00 0.03 0.00 0.00 46.19 48.38 1uge s LEU 100 CO 0.71 -0.46 2.27 0.44 0.23 0.00 0.00 176.35 179.54 1uge h ASP 101 N 3.19 0.00 -0.13 2.29 5.19 -1.92 -2.87 116.42 122.18 1uge h ASP 101 Ca -0.35 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.06 1uge h ASP 101 Cb 1.17 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.68 1uge h ASP 101 CO 0.62 0.01 0.00 0.61 -3.12 0.00 0.00 179.24 177.36 1uge n GLY 102 N -0.90 -0.23 3.49 2.75 0.00 -1.26 -3.56 105.19 105.48 1uge n GLY 102 Ca -0.02 -0.25 -0.09 0.00 0.00 0.00 0.00 46.02 45.65 1uge n GLY 102 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1uge s GLN 103 N -1.83 1.36 0.00 1.61 -2.07 -1.08 -4.71 119.66 112.93 1uge s GLN 103 Ca 0.24 -0.98 0.00 0.00 -1.82 0.00 0.00 55.36 52.80 1uge s GLN 103 Cb 0.12 0.48 0.00 0.00 -1.09 0.00 0.00 33.01 32.53 1uge s GLN 103 CO 0.18 -0.56 0.00 0.41 -1.32 0.00 0.00 175.29 174.00 1uge n GLY 104 N -0.32 3.63 3.83 2.60 0.00 -1.06 -3.33 105.19 110.54 1uge n GLY 104 Ca -0.08 -0.51 -0.32 0.00 0.00 0.00 0.00 46.02 45.11 1uge n GLY 104 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1uge s SER 105 N 0.00 5.78 -0.24 1.61 1.04 -0.56 -3.43 113.70 117.90 1uge s SER 105 Ca 0.00 1.63 -0.18 0.00 0.48 0.00 0.00 55.95 57.89 1uge s SER 105 Cb 0.00 -2.50 -0.15 0.00 0.10 0.00 0.00 66.02 63.47 1uge s SER 105 CO 0.00 -1.17 -0.09 -0.62 0.98 0.00 0.00 173.24 172.34 1uge n GLU 106 N -2.58 0.57 -2.46 4.02 1.02 -1.26 -4.82 120.64 115.13 1uge n GLU 106 Ca 0.07 0.42 -0.32 0.00 -0.02 0.00 0.00 57.16 57.31 1uge n GLU 106 Cb 0.53 -1.62 -0.04 0.00 -0.02 0.00 0.00 31.44 30.30 1uge n GLU 106 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1uge s HIS 107 N -2.44 3.40 0.13 -0.32 3.76 -1.26 -4.45 115.29 114.11 1uge s HIS 107 Ca -0.33 1.50 0.06 0.00 -0.15 0.00 0.00 55.06 56.14 1uge s HIS 107 Cb 0.10 -2.81 -0.04 0.00 1.11 0.00 0.00 32.58 30.94 1uge s HIS 107 CO 0.53 -0.36 -0.14 0.95 -0.85 0.00 0.00 174.74 174.87 1uge s THR 108 N -2.53 1.40 -0.25 1.30 -4.23 -1.20 -4.71 115.64 105.42 1uge s THR 108 Ca 0.60 -1.80 0.01 0.00 -1.18 0.00 0.00 61.69 59.32 1uge s THR 108 Cb -0.10 -1.63 0.05 0.00 1.34 0.00 0.00 72.50 72.16 1uge s THR 108 CO 0.28 -0.44 -0.09 -0.69 -0.54 0.00 0.00 174.62 173.13 1uge s VAL 109 N -2.28 2.43 -1.42 2.29 1.01 -0.79 -0.25 120.40 121.38 1uge s VAL 109 Ca 0.11 -1.39 -0.06 0.00 0.00 0.00 0.00 61.98 60.64 1uge s VAL 109 Cb -0.04 -2.33 0.04 0.00 0.00 0.00 0.00 36.38 34.05 1uge s VAL 109 CO 0.03 0.08 0.78 0.47 0.00 0.00 0.00 175.10 176.46 1uge n ASP 110 N 4.53 -2.58 0.00 3.32 8.00 0.55 -0.59 116.55 129.78 1uge n ASP 110 Ca -0.15 -0.83 0.00 0.00 0.71 0.00 0.00 54.79 54.52 1uge n ASP 110 Cb 0.44 -3.83 0.00 0.00 -0.02 0.00 0.00 41.12 37.71 1uge n ASP 110 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1uge n LYS 111 N -4.46 0.00 -2.51 -1.24 4.76 -1.26 -4.98 118.16 108.47 1uge n LYS 111 Ca -0.15 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 54.86 1uge n LYS 111 Cb 0.61 -3.10 -0.03 0.00 -1.84 0.00 0.00 35.03 30.67 1uge n LYS 111 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1uge s LYS 112 N -0.29 4.40 -0.15 1.97 2.20 0.24 -4.98 119.74 123.13 1uge s LYS 112 Ca 0.00 1.62 -0.09 0.00 -0.36 0.00 0.00 55.97 57.14 1uge s LYS 112 Cb 0.00 -3.50 -0.05 0.00 -1.51 0.00 0.00 37.83 32.78 1uge s LYS 112 CO 0.00 -0.34 0.16 0.15 -0.36 0.00 0.00 175.35 174.96 1uge s LYS 113 N 1.80 3.81 0.47 4.03 1.02 -1.26 -1.89 119.74 127.71 1uge s LYS 113 Ca 0.55 -0.13 0.07 0.00 0.02 0.00 0.00 55.97 56.49 1uge s LYS 113 Cb -0.24 -3.30 0.03 0.00 -0.52 0.00 0.00 37.83 33.80 1uge s LYS 113 CO 0.24 0.55 0.64 0.71 -0.92 0.00 0.00 175.35 176.57 1uge s TYR 114 N -0.39 2.55 0.33 3.18 1.51 -1.26 -4.64 117.35 118.62 1uge s TYR 114 Ca 0.13 -0.42 0.14 0.00 -1.01 0.00 0.00 57.07 55.91 1uge s TYR 114 Cb -0.12 -2.40 0.71 0.00 -0.11 0.00 0.00 41.96 40.04 1uge s TYR 114 CO 0.02 -0.62 1.80 0.00 -1.11 0.00 0.00 175.55 175.64 1uge h ALA 115 N 0.48 1.25 -2.78 3.71 0.00 -1.50 -1.43 119.26 119.00 1uge h ALA 115 Ca -0.38 -0.36 0.10 0.00 0.00 0.00 0.00 54.91 54.27 1uge h ALA 115 Cb 1.28 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.95 1uge h ALA 115 CO 0.45 0.49 0.32 0.00 0.00 0.00 0.00 179.25 180.51 1uge s ALA 116 N -4.01 -1.33 -0.09 0.00 0.00 -1.14 -3.16 121.76 112.02 1uge s ALA 116 Ca -0.02 -0.21 -0.04 0.00 0.00 0.00 0.00 51.96 51.69 1uge s ALA 116 Cb 0.13 0.77 0.05 0.00 0.00 0.00 0.00 23.12 24.07 1uge s ALA 116 CO 0.71 -1.04 0.20 -2.00 0.00 0.00 0.00 175.76 173.64 1uge s GLU 117 N -3.55 0.13 -0.18 0.00 2.12 -0.37 -1.54 118.70 115.32 1uge s GLU 117 Ca 0.12 0.51 -0.12 0.00 0.36 0.00 0.00 54.97 55.85 1uge s GLU 117 Cb -0.04 -0.15 -0.05 0.00 0.26 0.00 0.00 34.13 34.15 1uge s GLU 117 CO 0.06 -0.20 0.21 -1.17 -0.54 0.00 0.00 175.26 173.62 1uge s LEU 118 N 1.54 4.23 -0.20 2.70 2.96 0.27 -1.23 118.68 128.95 1uge s LEU 118 Ca -0.06 0.37 -0.01 0.00 -0.22 0.00 0.00 54.13 54.22 1uge s LEU 118 Cb -0.11 -2.22 0.01 0.00 0.50 0.00 0.00 46.19 44.37 1uge s LEU 118 CO -0.07 0.15 -0.14 -1.00 -1.32 0.00 0.00 176.35 173.97 1uge s HIS 119 N 0.34 2.88 -0.43 5.38 3.76 0.48 -1.20 115.29 126.50 1uge s HIS 119 Ca 0.12 -1.46 -0.12 0.00 -0.15 0.00 0.00 55.06 53.45 1uge s HIS 119 Cb -0.12 -1.99 0.06 0.00 1.11 0.00 0.00 32.58 31.64 1uge s HIS 119 CO 0.01 -0.73 0.30 -0.51 -0.85 0.00 0.00 174.74 172.96 1uge s LEU 120 N 1.34 5.24 -0.10 0.89 1.43 -0.44 -1.60 118.68 125.44 1uge s LEU 120 Ca 0.04 -1.30 -0.23 0.00 -1.03 0.00 0.00 54.13 51.61 1uge s LEU 120 Cb -0.14 -2.08 -0.03 0.00 0.03 0.00 0.00 46.19 43.97 1uge s LEU 120 CO -0.09 -0.54 0.71 -0.69 0.23 0.00 0.00 176.35 175.97 1uge s VAL 121 N 1.55 5.02 0.08 -1.59 1.01 0.22 -1.61 120.40 125.07 1uge s VAL 121 Ca 0.03 1.45 0.06 0.00 0.00 0.00 0.00 61.98 63.52 1uge s VAL 121 Cb -0.22 -4.05 -0.03 0.00 0.00 0.00 0.00 36.38 32.08 1uge s VAL 121 CO 0.05 0.20 -0.16 -1.00 0.00 0.00 0.00 175.10 174.20 1uge s HIS 122 N 1.14 1.36 0.04 5.22 3.76 -0.37 -0.87 115.29 125.57 1uge s HIS 122 Ca 0.37 -0.46 0.07 0.00 -0.15 0.00 0.00 55.06 54.90 1uge s HIS 122 Cb -0.17 -0.75 -0.02 0.00 1.11 0.00 0.00 32.58 32.74 1uge s HIS 122 CO 0.16 0.10 -0.21 1.67 -0.85 0.00 0.00 174.74 175.61 1uge s TRP 123 N -1.29 1.87 -0.22 1.40 1.48 -0.60 -1.61 118.94 119.97 1uge s TRP 123 Ca 0.00 -0.38 -0.29 0.00 -1.06 0.00 0.00 56.10 54.38 1uge s TRP 123 Cb -0.10 -1.12 -0.04 0.00 -1.16 0.00 0.00 33.47 31.05 1uge s TRP 123 CO 0.03 0.09 1.91 1.21 -4.06 0.00 0.00 176.95 176.12 1uge s ASN 124 N -1.14 5.94 0.62 -2.66 3.84 0.30 -1.03 114.94 120.81 1uge s ASN 124 Ca 0.08 1.73 0.32 0.00 0.21 0.00 0.00 52.86 55.20 1uge s ASN 124 Cb -0.09 -2.52 1.79 0.00 -0.55 0.00 0.00 41.25 39.88 1uge s ASN 124 CO 0.02 -1.60 2.09 0.71 -2.79 0.00 0.00 177.10 175.53 1uge h THR 125 N 6.62 0.25 -0.66 -5.21 1.35 -1.68 -1.54 112.91 112.05 1uge h THR 125 Ca -0.38 0.00 0.14 0.00 -0.55 0.00 0.00 66.41 65.62 1uge h THR 125 Cb 1.20 0.81 -0.04 0.00 -1.73 0.00 0.00 68.15 68.39 1uge h THR 125 CO 0.99 0.00 0.45 0.50 -0.25 0.00 0.00 175.52 177.21 1uge h LYS 127 N 0.00 0.27 -0.21 4.72 3.64 -1.90 -2.05 116.57 121.04 1uge h LYS 127 Ca 0.06 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 1uge h LYS 127 Cb 0.49 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.25 1uge h LYS 127 CO -0.00 0.18 0.00 0.66 -2.27 0.00 0.00 179.45 178.02 1uge n TYR 128 N -4.44 0.27 0.00 1.91 4.01 -0.58 -4.99 117.16 113.35 1uge n TYR 128 Ca 0.12 -0.14 0.00 0.00 -0.16 0.00 0.00 57.90 57.73 1uge n TYR 128 Cb 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.56 1uge n TYR 128 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1uge n GLY 129 N 1.12 1.59 3.46 2.72 0.00 -0.77 -4.51 105.19 108.80 1uge n GLY 129 Ca 0.15 -0.05 -0.10 0.00 0.00 0.00 0.00 46.02 46.03 1uge n GLY 129 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1uge s ASP 130 N 0.00 -0.03 0.23 1.61 1.47 -1.26 -5.05 116.67 113.64 1uge s ASP 130 Ca 0.00 -0.97 -0.08 0.00 1.18 0.00 0.00 52.55 52.68 1uge s ASP 130 Cb 0.00 0.52 0.24 0.00 -0.34 0.00 0.00 42.92 43.33 1uge s ASP 130 CO 0.00 -1.03 1.88 0.15 0.68 0.00 0.00 175.17 176.85 1uge h PHE 131 N 2.38 1.04 -0.14 2.11 3.57 -1.94 -1.75 116.94 122.21 1uge h PHE 131 Ca -0.29 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.23 1uge h PHE 131 Cb 1.25 -0.35 -0.01 0.00 2.79 0.00 0.00 35.95 39.63 1uge h PHE 131 CO 0.39 0.62 0.05 0.78 -2.23 0.00 0.00 178.31 177.91 1uge h GLY 132 N 1.09 0.20 1.32 2.40 0.00 -1.97 -1.87 103.07 104.25 1uge h GLY 132 Ca 0.33 -0.08 -0.28 0.00 0.00 0.00 0.00 47.33 47.29 1uge h GLY 132 CO -0.10 0.08 -1.47 0.50 0.00 0.00 0.00 176.54 175.55 1uge h LYS 133 N 0.19 0.14 -0.99 4.80 1.79 -1.74 -3.34 116.57 117.41 1uge h LYS 133 Ca 0.05 -0.24 0.03 0.00 -2.18 0.00 0.00 60.65 58.31 1uge h LYS 133 Cb 0.05 0.09 -0.06 0.00 -1.58 0.00 0.00 32.23 30.73 1uge h LYS 133 CO -0.01 0.95 0.65 0.00 -1.08 0.00 0.00 179.45 179.97 1uge h ALA 134 N 0.70 1.31 0.00 3.86 0.00 -0.62 -1.83 119.26 122.68 1uge h ALA 134 Ca -0.21 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1uge h ALA 134 Cb 1.96 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 19.40 1uge h ALA 134 CO 0.13 0.55 0.00 1.33 0.00 0.00 0.00 179.25 181.27 1uge n VAL 135 N -4.45 0.00 0.12 0.00 0.24 -0.77 -1.47 118.33 112.01 1uge n VAL 135 Ca 0.13 0.00 0.04 0.00 -2.04 0.00 0.00 64.34 62.47 1uge n VAL 135 Cb 0.09 -0.24 0.06 0.00 -1.47 0.00 0.00 33.84 32.28 1uge n VAL 135 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1uge n GLN 136 N -0.24 1.29 -4.86 7.34 6.02 -0.69 -4.96 117.38 121.28 1uge n GLN 136 Ca 0.00 -1.35 -0.28 0.00 -0.01 0.00 0.00 57.00 55.36 1uge n GLN 136 Cb 0.06 -1.16 -0.15 0.00 1.02 0.00 0.00 30.24 30.01 1uge n GLN 136 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1uge s GLN 137 N -0.78 1.66 0.63 -1.09 -1.52 -0.54 -5.02 119.66 113.00 1uge s GLN 137 Ca 0.12 -0.98 0.41 0.00 -1.95 0.00 0.00 55.36 52.96 1uge s GLN 137 Cb 0.07 -1.76 2.11 0.00 -0.22 0.00 0.00 33.01 33.22 1uge s GLN 137 CO 0.10 0.46 2.26 -1.00 -0.25 0.00 0.00 175.29 176.86 1uge h PRO 138 N 5.01 0.00 -0.03 2.91 0.13 -1.85 -1.19 132.00 136.98 1uge h PRO 138 Ca -0.44 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.66 1uge h PRO 138 Cb 1.15 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.23 1uge h PRO 138 CO 0.45 0.01 -0.56 -0.40 -0.23 0.00 0.00 178.00 177.26 1uge n ASP 139 N -3.13 1.75 0.14 1.44 5.75 -1.26 -4.33 116.55 116.91 1uge n ASP 139 Ca -0.02 -3.73 0.00 0.00 -0.01 0.00 0.00 54.79 51.04 1uge n ASP 139 Cb 0.14 -0.50 0.17 0.00 -1.03 0.00 0.00 41.12 39.89 1uge n ASP 139 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 1uge h GLY 140 N 1.04 0.00 -2.80 6.12 0.00 -1.07 -3.43 103.07 102.93 1uge h GLY 140 Ca -0.01 0.00 -0.44 0.00 0.00 0.00 0.00 47.33 46.88 1uge h GLY 140 CO 0.03 0.00 -0.74 1.08 0.00 0.00 0.00 176.54 176.91 1uge s LEU 141 N -7.23 2.52 -0.05 3.11 1.43 -0.49 -0.54 118.68 117.43 1uge s LEU 141 Ca -0.00 -0.97 -0.02 0.00 -1.03 0.00 0.00 54.13 52.10 1uge s LEU 141 Cb 0.11 -0.63 0.04 0.00 0.03 0.00 0.00 46.19 45.74 1uge s LEU 141 CO 0.75 -0.17 0.09 0.00 0.23 0.00 0.00 176.35 177.25 1uge s ALA 142 N -2.81 0.09 -0.12 4.21 0.00 -0.63 -1.14 121.76 121.37 1uge s ALA 142 Ca 0.19 0.32 0.02 0.00 0.00 0.00 0.00 51.96 52.49 1uge s ALA 142 Cb -0.01 -0.66 -0.01 0.00 0.00 0.00 0.00 23.12 22.44 1uge s ALA 142 CO 0.05 -0.49 -0.18 0.08 0.00 0.00 0.00 175.76 175.23 1uge s VAL 143 N 2.13 2.64 -0.31 0.00 1.01 -0.96 -1.23 120.40 123.67 1uge s VAL 143 Ca 0.03 -0.81 -0.15 0.00 0.00 0.00 0.00 61.98 61.05 1uge s VAL 143 Cb -0.12 -2.07 -0.02 0.00 0.00 0.00 0.00 36.38 34.16 1uge s VAL 143 CO -0.04 0.54 0.37 -0.22 0.00 0.00 0.00 175.10 175.75 1uge s LEU 144 N 0.34 4.24 -0.17 3.92 2.96 -0.63 -1.56 118.68 127.78 1uge s LEU 144 Ca -0.14 0.00 -0.06 0.00 -0.22 0.00 0.00 54.13 53.71 1uge s LEU 144 Cb -0.17 -2.38 -0.04 0.00 0.50 0.00 0.00 46.19 44.10 1uge s LEU 144 CO 0.07 -0.27 0.04 -0.83 -1.32 0.00 0.00 176.35 174.04 1uge s GLY 145 N 1.70 1.88 -0.07 7.98 0.00 0.36 -1.33 107.32 117.84 1uge s GLY 145 Ca 0.13 -0.76 0.02 0.00 0.00 0.00 0.00 44.72 44.12 1uge s GLY 145 CO 0.11 -0.01 -0.13 -0.42 0.00 0.00 0.00 173.10 172.66 1uge s ILE 146 N 0.27 1.19 0.29 0.90 1.01 -0.34 -1.48 121.20 123.04 1uge s ILE 146 Ca 0.02 -0.51 -0.20 0.00 0.00 0.00 0.00 60.65 59.96 1uge s ILE 146 Cb -0.13 -1.08 -0.09 0.00 0.01 0.00 0.00 42.46 41.17 1uge s ILE 146 CO 0.01 0.37 0.79 -0.36 0.00 0.00 0.00 174.94 175.75 1uge s PHE 147 N 0.64 3.55 -0.08 3.97 0.08 -1.26 -0.56 117.98 124.31 1uge s PHE 147 Ca -0.15 1.44 0.05 0.00 0.12 0.00 0.00 56.93 58.39 1uge s PHE 147 Cb -0.16 -2.68 -0.00 0.00 -0.57 0.00 0.00 43.02 39.61 1uge s PHE 147 CO 0.04 0.20 -0.24 -0.51 -0.10 0.00 0.00 175.22 174.62 1uge s LEU 148 N -2.37 2.06 0.19 -0.37 1.02 -0.59 -0.97 118.68 117.66 1uge s LEU 148 Ca 0.49 -0.53 0.11 0.00 0.02 0.00 0.00 54.13 54.22 1uge s LEU 148 Cb -0.15 -1.36 -0.04 0.00 0.02 0.00 0.00 46.19 44.66 1uge s LEU 148 CO 0.20 0.18 -0.22 -1.59 0.02 0.00 0.00 176.35 174.94 1uge s LYS 149 N 0.17 1.46 -0.12 1.70 -2.85 -0.24 -2.27 119.74 117.58 1uge s LYS 149 Ca -0.13 -1.51 -0.25 0.00 -1.00 0.00 0.00 55.97 53.08 1uge s LYS 149 Cb -0.16 -1.67 -0.02 0.00 -2.06 0.00 0.00 37.83 33.91 1uge s LYS 149 CO 0.07 0.35 0.78 0.08 0.10 0.00 0.00 175.35 176.73 1uge s VAL 150 N -1.88 4.95 0.00 1.79 1.01 -1.26 -1.59 120.40 123.42 1uge s VAL 150 Ca 0.20 1.57 0.00 0.00 0.00 0.00 0.00 61.98 63.75 1uge s VAL 150 Cb -0.07 -4.10 0.00 0.00 0.00 0.00 0.00 36.38 32.21 1uge s VAL 150 CO 0.09 0.12 0.00 0.61 0.00 0.00 0.00 175.10 175.93 1uge n GLY 151 N 3.32 0.89 3.86 4.51 0.00 0.39 -4.89 105.19 113.26 1uge n GLY 151 Ca 0.02 0.43 -0.31 0.00 0.00 0.00 0.00 46.02 46.16 1uge n GLY 151 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1uge s SER 152 N 2.00 6.48 0.49 1.61 1.04 -1.26 -3.92 113.70 120.14 1uge s SER 152 Ca 0.00 1.39 -0.22 0.00 0.48 0.00 0.00 55.95 57.59 1uge s SER 152 Cb 0.00 -2.44 -0.06 0.00 0.10 0.00 0.00 66.02 63.62 1uge s SER 152 CO 0.00 -0.61 1.24 0.00 0.98 0.00 0.00 173.24 174.85 1uge s ALA 153 N -2.70 2.91 -0.42 5.32 0.00 -1.26 -2.36 121.76 123.25 1uge s ALA 153 Ca 0.55 1.08 -0.13 0.00 0.00 0.00 0.00 51.96 53.46 1uge s ALA 153 Cb -0.10 -3.45 0.05 0.00 0.00 0.00 0.00 23.12 19.61 1uge s ALA 153 CO 0.37 -0.92 0.30 0.21 0.00 0.00 0.00 175.76 175.72 1uge s LYS 154 N -2.78 2.88 0.20 0.00 2.47 -1.23 -4.80 119.74 116.48 1uge s LYS 154 Ca 0.67 -1.21 -0.11 0.00 -1.56 0.00 0.00 55.97 53.76 1uge s LYS 154 Cb -0.33 -3.93 0.25 0.00 -1.46 0.00 0.00 37.83 32.35 1uge s LYS 154 CO 0.39 -0.86 1.71 -1.35 0.16 0.00 0.00 175.35 175.41 1uge h PRO 155 N 8.59 0.26 0.00 4.03 0.11 -1.91 -1.59 132.00 141.47 1uge h PRO 155 Ca -0.26 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1uge h PRO 155 Cb 1.11 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1uge h PRO 155 CO 0.76 0.17 0.00 0.41 -0.21 0.00 0.00 178.00 179.13 1uge n GLY 156 N -1.30 -0.54 0.01 -0.55 0.00 -1.26 -1.91 105.19 99.64 1uge n GLY 156 Ca 0.07 -0.04 0.10 0.00 0.00 0.00 0.00 46.02 46.16 1uge n GLY 156 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1uge n LEU 157 N -1.29 0.37 -0.32 0.99 7.94 -0.60 -4.58 117.00 119.51 1uge n LEU 157 Ca 0.04 -0.20 0.03 0.00 -1.11 0.00 0.00 56.01 54.77 1uge n LEU 157 Cb 0.06 0.00 0.22 0.00 0.53 0.00 0.00 43.42 44.23 1uge n LEU 157 CO 0.06 0.09 1.26 -0.61 -1.11 0.00 0.00 177.39 177.08 1uge h GLN 158 N 0.00 1.05 -0.95 1.96 5.75 -1.38 -1.68 115.11 119.85 1uge h GLN 158 Ca 0.00 -0.06 0.06 0.00 -0.15 0.00 0.00 58.65 58.50 1uge h GLN 158 Cb 0.77 -0.24 -0.06 0.00 1.07 0.00 0.00 27.48 29.02 1uge h GLN 158 CO 0.00 0.69 0.62 -0.22 -2.65 0.00 0.00 178.83 177.27 1uge h LYS 159 N 1.08 1.07 -0.02 1.69 3.64 -1.81 0.46 116.57 122.69 1uge h LYS 159 Ca 0.39 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.71 1uge h LYS 159 Cb 0.16 -0.24 -0.00 0.00 -0.41 0.00 0.00 32.23 31.74 1uge h LYS 159 CO -0.15 0.71 -0.01 0.28 -2.27 0.00 0.00 179.45 178.02 1uge h VAL 160 N 1.10 1.31 -0.64 2.00 2.07 -1.63 -2.99 116.25 117.48 1uge h VAL 160 Ca 0.41 -0.93 0.08 0.00 0.82 0.00 0.00 66.70 67.09 1uge h VAL 160 Cb 0.18 1.90 -0.07 0.00 -1.52 0.00 0.00 31.29 31.78 1uge h VAL 160 CO -0.16 0.25 0.29 0.58 0.02 0.00 0.00 177.57 178.55 1uge h VAL 161 N -0.34 0.84 -0.68 2.57 2.07 -0.85 -2.50 116.25 117.36 1uge h VAL 161 Ca 0.00 -0.18 -0.00 0.00 0.82 0.00 0.00 66.70 67.34 1uge h VAL 161 Cb 0.40 0.28 -0.03 0.00 -1.52 0.00 0.00 31.29 30.42 1uge h VAL 161 CO 0.00 0.09 0.41 0.44 0.02 0.00 0.00 177.57 178.54 1uge h ASP 162 N 0.51 0.81 1.15 0.57 3.32 -0.89 -2.88 116.42 119.03 1uge h ASP 162 Ca 0.31 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.32 1uge h ASP 162 Cb 0.33 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.67 1uge h ASP 162 CO -0.26 0.63 0.00 0.55 -1.72 0.00 0.00 179.24 178.43 1uge n VAL 163 N -4.40 0.40 -0.02 -1.35 3.14 -0.95 -4.10 118.33 111.06 1uge n VAL 163 Ca 0.07 -0.09 0.15 0.00 -2.96 0.00 0.00 64.34 61.51 1uge n VAL 163 Cb 0.07 -0.63 0.59 0.00 -1.06 0.00 0.00 33.84 32.81 1uge n VAL 163 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 1uge h LEU 164 N 0.00 0.19 -1.18 6.55 3.38 -1.43 -2.23 115.31 120.59 1uge h LEU 164 Ca 0.00 0.01 0.08 0.00 0.09 0.00 0.00 57.88 58.05 1uge h LEU 164 Cb 0.58 -0.03 -0.06 0.00 0.09 0.00 0.00 40.66 41.23 1uge h LEU 164 CO 0.00 0.11 0.57 0.44 0.09 0.00 0.00 178.44 179.66 1uge h ASP 165 N 0.21 0.84 0.99 -0.43 3.32 -1.80 -2.29 116.42 117.26 1uge h ASP 165 Ca 0.25 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.31 1uge h ASP 165 Cb 0.68 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 40.07 1uge h ASP 165 CO -0.04 0.52 0.00 -1.54 -1.72 0.00 0.00 179.24 176.46 1uge n SER 166 N -4.51 0.62 -1.93 6.45 3.41 -0.84 -3.38 113.62 113.45 1uge n SER 166 Ca 0.14 0.61 -0.12 0.00 -0.26 0.00 0.00 58.87 59.24 1uge n SER 166 Cb 0.25 -0.76 0.06 0.00 -0.26 0.00 0.00 64.21 63.50 1uge n SER 166 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 1uge n ILE 167 N -2.14 2.05 -0.28 -1.33 -5.35 -0.87 -4.71 119.36 106.73 1uge n ILE 167 Ca 0.04 -3.59 0.04 0.00 -0.27 0.00 0.00 62.75 58.97 1uge n ILE 167 Cb 0.30 -0.34 0.18 0.00 -1.74 0.00 0.00 39.64 38.04 1uge n ILE 167 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 1uge h LYS 168 N 2.01 0.65 -6.19 6.28 3.64 -1.54 -3.42 116.57 118.01 1uge h LYS 168 Ca 0.16 -0.04 -0.51 0.00 -1.27 0.00 0.00 60.65 59.00 1uge h LYS 168 Cb 1.42 -0.15 -0.05 0.00 -0.41 0.00 0.00 32.23 33.04 1uge h LYS 168 CO 0.47 0.43 -0.50 0.95 -2.27 0.00 0.00 179.45 178.53 1uge s THR 169 N -6.01 3.81 0.04 1.00 -4.23 -1.26 -0.78 115.64 108.20 1uge s THR 169 Ca -0.12 -1.45 -0.35 0.00 -1.18 0.00 0.00 61.69 58.59 1uge s THR 169 Cb 0.20 -3.22 -0.13 0.00 1.34 0.00 0.00 72.50 70.69 1uge s THR 169 CO 0.78 -0.25 1.68 1.17 -0.54 0.00 0.00 174.62 177.45 1uge n LYS 170 N -1.25 2.02 0.00 3.99 4.81 -0.17 -2.25 118.16 125.31 1uge n LYS 170 Ca -0.04 0.73 0.00 0.00 -0.87 0.00 0.00 58.31 58.13 1uge n LYS 170 Cb 0.59 -2.51 0.00 0.00 0.02 0.00 0.00 35.03 33.13 1uge n LYS 170 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1uge n GLY 171 N 3.75 2.91 3.80 3.14 0.00129.72 -4.48 105.19 244.03 1uge n GLY 171 Ca 0.20 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.87 1uge n GLY 171 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1uge s LYS 172 N -0.96 4.26 0.04 1.61 1.02 -0.95 -4.86 119.74 119.90 1uge s LYS 172 Ca 0.00 1.24 -0.02 0.00 0.02 0.00 0.00 55.97 57.21 1uge s LYS 172 Cb 0.00 -2.36 -0.03 0.00 -0.52 0.00 0.00 37.83 34.92 1uge s LYS 172 CO 0.00 -0.01 0.00 -1.54 -0.92 0.00 0.00 175.35 172.88 1uge s SER 173 N -1.96 0.36 0.01 2.83 1.04 -1.26 -1.37 113.70 113.35 1uge s SER 173 Ca 0.59 -0.78 -0.04 0.00 0.48 0.00 0.00 55.95 56.20 1uge s SER 173 Cb -0.13 0.19 -0.01 0.00 0.10 0.00 0.00 66.02 66.17 1uge s SER 173 CO 0.18 -0.52 0.07 0.00 0.98 0.00 0.00 173.24 173.95 1uge s ALA 174 N -3.08 -0.15 0.33 5.32 0.00 -0.13 -4.93 121.76 119.12 1uge s ALA 174 Ca -0.01 -0.31 -0.29 0.00 0.00 0.00 0.00 51.96 51.35 1uge s ALA 174 Cb 0.02 0.13 -0.10 0.00 0.00 0.00 0.00 23.12 23.16 1uge s ALA 174 CO -0.07 -0.19 1.37 -0.51 0.00 0.00 0.00 175.76 176.36 1uge s ASP 175 N -1.40 6.66 -0.42 0.00 1.01 -1.26 -1.13 116.67 120.12 1uge s ASP 175 Ca -0.15 2.77 0.07 0.00 0.71 0.00 0.00 52.55 55.94 1uge s ASP 175 Cb -0.08 -2.65 0.23 0.00 1.01 0.00 0.00 42.92 41.43 1uge s ASP 175 CO 0.01 -0.63 0.58 0.33 0.21 0.00 0.00 175.17 175.66 1uge n PHE 176 N 0.95 -1.32 -3.42 4.23 7.35 -0.45 -4.73 117.46 120.07 1uge n PHE 176 Ca 0.01 -3.00 -0.22 0.00 -0.76 0.00 0.00 57.45 53.48 1uge n PHE 176 Cb 0.41 0.28 -0.01 0.00 0.35 0.00 0.00 39.48 40.51 1uge n PHE 176 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1uge s THR 177 N -0.44 4.73 -1.65 -2.13 -4.23 -1.26 -3.08 115.64 107.59 1uge s THR 177 Ca 0.34 -0.66 0.00 0.00 -1.18 0.00 0.00 61.69 60.19 1uge s THR 177 Cb 0.15 -3.71 0.00 0.00 1.34 0.00 0.00 72.50 70.28 1uge s THR 177 CO -0.15 -0.40 0.00 0.59 -0.54 0.00 0.00 174.62 174.12 1uge n ASN 178 N -1.75 -5.43 -4.73 3.99 3.02 -1.26 -4.96 115.26 104.14 1uge n ASN 178 Ca -0.04 0.03 -0.38 0.00 -0.03 0.00 0.00 54.58 54.16 1uge n ASN 178 Cb 0.57 -4.49 -0.06 0.00 -0.61 0.00 0.00 39.78 35.19 1uge n ASN 178 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1uge s PHE 179 N -2.92 3.54 -0.41 3.10 5.36 -1.26 -5.02 117.98 120.37 1uge s PHE 179 Ca 0.00 0.93 -0.15 0.00 -0.96 0.00 0.00 56.93 56.76 1uge s PHE 179 Cb 0.00 -2.55 0.02 0.00 -0.34 0.00 0.00 43.02 40.15 1uge s PHE 179 CO 0.00 0.21 0.30 0.34 -1.46 0.00 0.00 175.22 174.61 1uge s ASP 180 N 0.46 6.10 0.27 6.13 -1.08 -1.26 -4.48 116.67 122.80 1uge s ASP 180 Ca 0.27 -0.94 0.23 0.00 -0.52 0.00 0.00 52.55 51.59 1uge s ASP 180 Cb -0.16 -2.16 1.01 0.00 -1.46 0.00 0.00 42.92 40.16 1uge s ASP 180 CO 0.11 -0.46 1.69 -0.81 0.52 0.00 0.00 175.17 176.22 1uge n PRO 181 N 5.16 0.18 0.30 4.34 -0.04 -1.26 -2.67 135.00 141.00 1uge n PRO 181 Ca -0.11 0.47 0.17 0.00 -0.04 0.00 0.00 63.50 63.99 1uge n PRO 181 Cb 0.47 -1.88 0.94 0.00 -0.04 0.00 0.00 33.50 32.98 1uge n PRO 181 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1uge h ARG 182 N 0.00 0.00 0.00 0.54 3.08 -1.93 -1.74 114.38 114.33 1uge h ARG 182 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1uge h ARG 182 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.34 1uge h ARG 182 CO 0.00 0.04 0.00 0.41 -1.07 0.00 0.00 179.97 179.35 1uge n GLY 183 N -0.88 -0.89 0.70 0.04 0.00 -1.09 -2.66 105.19 100.40 1uge n GLY 183 Ca -0.02 -0.09 0.08 0.00 0.00 0.00 0.00 46.02 45.99 1uge n GLY 183 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1uge n LEU 184 N -1.27 2.51 -4.77 0.99 4.77 -0.65 -4.28 117.00 114.30 1uge n LEU 184 Ca 0.09 -1.14 -0.39 0.00 -0.03 0.00 0.00 56.01 54.55 1uge n LEU 184 Cb 0.15 -0.05 -0.06 0.00 -2.33 0.00 0.00 43.42 41.13 1uge n LEU 184 CO 0.14 0.48 0.35 -0.76 -1.33 0.00 0.00 177.39 176.27 1uge s LEU 185 N -1.32 4.48 1.11 2.23 1.43 -1.09 -4.94 118.68 120.58 1uge s LEU 185 Ca 0.21 1.31 -0.18 0.00 -1.03 0.00 0.00 54.13 54.45 1uge s LEU 185 Cb 0.14 -3.03 0.25 0.00 0.03 0.00 0.00 46.19 43.58 1uge s LEU 185 CO 0.21 0.14 1.18 -2.16 0.23 0.00 0.00 176.35 175.95 1uge s PRO 186 N -0.53 -0.51 0.03 1.29 0.04 -1.26 -4.98 135.00 129.09 1uge s PRO 186 Ca 0.33 -0.15 -0.25 0.00 0.04 0.00 0.00 61.00 60.97 1uge s PRO 186 Cb -0.20 -1.69 -0.18 0.00 0.04 0.00 0.00 34.50 32.48 1uge s PRO 186 CO 0.20 -3.22 1.47 0.93 0.04 0.00 0.00 177.00 176.42 1uge h GLU 187 N -2.23 -0.07 -6.38 4.56 5.08 -1.91 -3.44 114.58 110.18 1uge h GLU 187 Ca -0.45 0.00 -0.54 0.00 -1.00 0.00 0.00 59.36 57.37 1uge h GLU 187 Cb 1.28 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.52 1uge h GLU 187 CO 0.37 0.19 -0.17 0.45 -1.00 0.00 0.00 179.01 178.85 1uge s SER 188 N -5.38 6.56 -0.20 1.42 0.15 -1.26 -5.01 113.70 109.99 1uge s SER 188 Ca -0.15 0.81 0.16 0.00 0.70 0.00 0.00 55.95 57.47 1uge s SER 188 Cb 0.04 -2.18 0.54 0.00 -1.71 0.00 0.00 66.02 62.71 1uge s SER 188 CO 0.65 -0.06 1.45 0.18 1.20 0.00 0.00 173.24 176.66 1uge n LEU 189 N -0.21 4.05 -4.76 3.45 4.77 -1.26 -4.76 117.00 118.27 1uge n LEU 189 Ca -0.01 -3.10 -0.38 0.00 -0.03 0.00 0.00 56.01 52.50 1uge n LEU 189 Cb 0.52 -0.57 0.01 0.00 -2.33 0.00 0.00 43.42 41.06 1uge n LEU 189 CO 0.46 0.73 0.92 -1.81 -1.33 0.00 0.00 177.39 176.36 1uge s ASP 190 N -1.93 5.93 0.23 -1.43 1.01 -1.26 -4.75 116.67 114.48 1uge s ASP 190 Ca 0.43 2.55 -0.15 0.00 0.71 0.00 0.00 52.55 56.10 1uge s ASP 190 Cb 0.35 -2.62 0.01 0.00 1.01 0.00 0.00 42.92 41.67 1uge s ASP 190 CO 0.08 -1.10 0.52 -0.72 0.21 0.00 0.00 175.17 174.16 1uge s TYR 191 N -1.39 0.16 0.11 4.23 1.13 -1.26 -1.48 117.35 118.86 1uge s TYR 191 Ca 0.64 -0.54 0.09 0.00 -1.41 0.00 0.00 57.07 55.85 1uge s TYR 191 Cb -0.35 0.31 -0.04 0.00 -1.10 0.00 0.00 41.96 40.78 1uge s TYR 191 CO 0.43 -1.00 -0.16 -1.58 -2.51 0.00 0.00 175.55 170.73 1uge s TRP 192 N -3.96 2.57 -0.04 -3.49 0.51 -0.18 -0.95 118.94 113.39 1uge s TRP 192 Ca 0.17 -0.24 -0.06 0.00 -2.12 0.00 0.00 56.10 53.85 1uge s TRP 192 Cb -0.01 -1.36 0.01 0.00 -0.81 0.00 0.00 33.47 31.30 1uge s TRP 192 CO 0.05 0.39 0.16 -0.08 -0.51 0.00 0.00 176.95 176.97 1uge s THR 193 N -1.16 0.02 0.13 2.01 -1.32 0.14 -0.95 115.64 114.51 1uge s THR 193 Ca 0.19 -0.20 -0.24 0.00 -1.21 0.00 0.00 61.69 60.22 1uge s THR 193 Cb -0.11 -0.30 0.07 0.00 -1.51 0.00 0.00 72.50 70.66 1uge s THR 193 CO 0.11 -0.11 0.68 -0.72 -2.21 0.00 0.00 174.62 172.36 1uge s TYR 194 N -0.34 -0.47 -0.08 9.09 1.13 -1.05 -1.60 117.35 124.03 1uge s TYR 194 Ca -0.04 0.27 -0.23 0.00 -1.41 0.00 0.00 57.07 55.65 1uge s TYR 194 Cb -0.03 0.56 -0.03 0.00 -1.10 0.00 0.00 41.96 41.36 1uge s TYR 194 CO 0.01 -0.80 0.70 -1.25 -2.51 0.00 0.00 175.55 171.70 1uge s PRO 195 N -3.61 4.42 0.00 -3.49 0.04 -1.26 -1.11 135.00 129.99 1uge s PRO 195 Ca 0.03 0.88 0.00 0.00 0.04 0.00 0.00 61.00 61.94 1uge s PRO 195 Cb -0.01 -3.46 0.00 0.00 0.04 0.00 0.00 34.50 31.07 1uge s PRO 195 CO -0.11 0.03 0.00 0.41 0.04 0.00 0.00 177.00 177.37 1uge n GLY 196 N 3.15 4.97 3.31 0.56 0.00 0.97 -4.83 105.19 113.32 1uge n GLY 196 Ca -0.01 -0.76 -0.17 0.00 0.00 0.00 0.00 46.02 45.08 1uge n GLY 196 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1uge s SER 197 N 1.32 1.31 0.50 1.61 1.04 -1.08 -2.53 113.70 115.87 1uge s SER 197 Ca 0.00 -1.65 -0.20 0.00 0.48 0.00 0.00 55.95 54.58 1uge s SER 197 Cb 0.00 0.55 -0.08 0.00 0.10 0.00 0.00 66.02 66.60 1uge s SER 197 CO 0.00 -1.08 1.04 -0.76 0.98 0.00 0.00 173.24 173.43 1uge s LEU 198 N -3.31 3.80 0.00 2.42 1.43 -0.81 -4.52 118.68 117.68 1uge s LEU 198 Ca 0.38 1.92 0.23 0.00 -1.03 0.00 0.00 54.13 55.63 1uge s LEU 198 Cb 0.02 -4.56 0.57 0.00 0.03 0.00 0.00 46.19 42.26 1uge s LEU 198 CO 0.24 -0.84 1.47 0.35 0.23 0.00 0.00 176.35 177.80 1uge n THR 199 N -1.12 0.30 -4.25 5.49 -2.24 -1.26 -4.38 114.28 106.82 1uge n THR 199 Ca 0.09 -0.52 -0.20 0.00 -2.27 0.00 0.00 64.05 61.15 1uge n THR 199 Cb 0.52 0.76 -0.12 0.00 -2.10 0.00 0.00 70.33 69.40 1uge n THR 199 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1uge s THR 200 N -1.70 1.43 0.53 4.28 -4.23 -1.26 -4.72 115.64 109.97 1uge s THR 200 Ca 0.35 -1.61 -0.20 0.00 -1.18 0.00 0.00 61.69 59.04 1uge s THR 200 Cb 0.20 -1.47 -0.08 0.00 1.34 0.00 0.00 72.50 72.49 1uge s THR 200 CO 0.29 -0.28 0.87 -2.65 -0.54 0.00 0.00 174.62 172.32 1uge n PRO 201 N 0.79 0.96 0.00 3.99 -0.02 -1.26 -0.67 135.00 138.79 1uge n PRO 201 Ca -0.17 0.36 0.04 0.00 -2.02 0.00 0.00 63.50 61.71 1uge n PRO 201 Cb 0.56 -2.01 0.24 0.00 -0.02 0.00 0.00 33.50 32.26 1uge n PRO 201 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1uge n PRO 202 N -0.38 0.51 -3.13 0.52 -0.04 -1.26 -4.99 135.00 126.23 1uge n PRO 202 Ca 0.12 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.36 1uge n PRO 202 Cb 0.44 -1.24 0.01 0.00 -0.04 0.00 0.00 33.50 32.67 1uge n PRO 202 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1uge n LEU 203 N -0.74 -2.07 -4.74 1.53 4.77 0.15 -4.90 117.00 111.00 1uge n LEU 203 Ca 0.06 -0.30 -0.42 0.00 -0.03 0.00 0.00 56.01 55.32 1uge n LEU 203 Cb 0.03 -2.54 -0.02 0.00 -2.33 0.00 0.00 43.42 38.56 1uge n LEU 203 CO 0.05 0.17 1.23 -0.76 -1.33 0.00 0.00 177.39 176.74 1uge s LEU 204 N -6.53 4.36 -1.23 2.23 1.43 -1.26 -4.44 118.68 113.24 1uge s LEU 204 Ca 0.33 2.82 -0.13 0.00 -1.03 0.00 0.00 54.13 56.12 1uge s LEU 204 Cb -0.16 -3.62 0.17 0.00 0.03 0.00 0.00 46.19 42.61 1uge s LEU 204 CO 0.40 -0.86 1.51 -0.62 0.23 0.00 0.00 176.35 177.02 1uge n GLU 205 N 2.69 3.40 0.00 1.70 1.02 -1.26 -1.93 120.64 126.26 1uge n GLU 205 Ca 0.10 -3.78 0.00 0.00 -0.02 0.00 0.00 57.16 53.45 1uge n GLU 205 Cb 0.38 -3.04 0.00 0.00 -0.02 0.00 0.00 31.44 28.76 1uge n GLU 205 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1uge s VAL 207 N -0.11 5.09 -0.41 0.00 1.01 -1.05 -1.40 120.40 123.54 1uge s VAL 207 Ca 0.00 0.06 -0.12 0.00 0.00 0.00 0.00 61.98 61.92 1uge s VAL 207 Cb 0.00 -3.26 0.05 0.00 0.00 0.00 0.00 36.38 33.17 1uge s VAL 207 CO 0.00 0.53 0.27 -0.89 0.00 0.00 0.00 175.10 175.01 1uge s THR 208 N -0.28 4.73 0.09 3.92 2.01 -0.29 -0.02 115.64 125.79 1uge s THR 208 Ca 0.10 -0.98 -0.28 0.00 0.31 0.00 0.00 61.69 60.83 1uge s THR 208 Cb -0.12 -3.72 -0.06 0.00 0.01 0.00 0.00 72.50 68.61 1uge s THR 208 CO 0.01 -0.37 0.88 0.26 -0.69 0.00 0.00 174.62 174.71 1uge s TRP 209 N 1.56 3.78 -0.31 4.92 0.52 -0.26 -2.27 118.94 126.87 1uge s TRP 209 Ca 0.03 1.66 0.01 0.00 0.02 0.00 0.00 56.10 57.82 1uge s TRP 209 Cb -0.21 -2.95 0.10 0.00 -1.15 0.00 0.00 33.47 29.26 1uge s TRP 209 CO 0.06 0.24 0.07 0.42 0.02 0.00 0.00 176.95 177.77 1uge s ILE 210 N -0.06 1.38 -0.29 2.03 1.01 -0.60 -2.52 121.20 122.14 1uge s ILE 210 Ca 0.43 -1.70 -0.10 0.00 0.00 0.00 0.00 60.65 59.28 1uge s ILE 210 Cb -0.22 -2.01 -0.03 0.00 0.01 0.00 0.00 42.46 40.21 1uge s ILE 210 CO 0.27 -0.62 0.17 -0.69 0.00 0.00 0.00 174.94 174.07 1uge s VAL 211 N 1.37 4.92 0.28 2.92 1.01 -0.13 -0.48 120.40 130.29 1uge s VAL 211 Ca 0.09 -0.13 -0.29 0.00 0.00 0.00 0.00 61.98 61.65 1uge s VAL 211 Cb -0.18 -3.42 -0.10 0.00 0.00 0.00 0.00 36.38 32.69 1uge s VAL 211 CO -0.18 0.17 1.18 -0.76 0.00 0.00 0.00 175.10 175.50 1uge s LEU 212 N 1.68 4.50 0.08 3.92 1.43 -0.55 -1.01 118.68 128.74 1uge s LEU 212 Ca 0.06 2.40 -0.18 0.00 -1.03 0.00 0.00 54.13 55.38 1uge s LEU 212 Cb -0.16 -3.63 -0.09 0.00 0.03 0.00 0.00 46.19 42.34 1uge s LEU 212 CO 0.08 -0.30 1.48 0.50 0.23 0.00 0.00 176.35 178.34 1uge h LYS 213 N 3.87 0.50 -5.76 1.70 3.64 -1.61 -3.43 116.57 115.48 1uge h LYS 213 Ca -0.47 -0.19 -0.60 0.00 -1.27 0.00 0.00 60.65 58.12 1uge h LYS 213 Cb 1.22 -0.03 -0.09 0.00 -0.41 0.00 0.00 32.23 32.92 1uge h LYS 213 CO 0.68 0.72 0.43 -2.00 -2.27 0.00 0.00 179.45 177.01 1uge s GLU 214 N -4.76 4.18 0.72 1.90 2.12 -1.26 -5.01 118.70 116.58 1uge s GLU 214 Ca -0.13 0.90 -0.09 0.00 0.36 0.00 0.00 54.97 56.01 1uge s GLU 214 Cb 0.08 -3.64 0.05 0.00 0.26 0.00 0.00 34.13 30.87 1uge s GLU 214 CO 0.77 -0.50 1.06 -1.25 -0.54 0.00 0.00 175.26 174.80 1uge s PRO 215 N 2.78 2.37 0.15 4.30 0.04 -1.26 -4.68 135.00 138.70 1uge s PRO 215 Ca 0.34 0.03 0.05 0.00 0.04 0.00 0.00 61.00 61.47 1uge s PRO 215 Cb -0.15 -2.09 -0.04 0.00 0.04 0.00 0.00 34.50 32.26 1uge s PRO 215 CO 0.08 -1.22 0.08 0.96 0.04 0.00 0.00 177.00 176.94 1uge s ILE 216 N -3.33 4.24 -0.11 0.56 -4.36 -0.14 -4.87 121.20 113.19 1uge s ILE 216 Ca 0.59 -1.14 -0.06 0.00 -0.26 0.00 0.00 60.65 59.79 1uge s ILE 216 Cb -0.11 -3.13 -0.04 0.00 1.25 0.00 0.00 42.46 40.43 1uge s ILE 216 CO 0.47 -0.07 0.11 -0.44 0.24 0.00 0.00 174.94 175.26 1uge s SER 217 N -2.92 6.15 0.10 4.36 0.01 -1.26 -1.08 113.70 119.07 1uge s SER 217 Ca 0.29 0.40 0.04 0.00 1.31 0.00 0.00 55.95 57.99 1uge s SER 217 Cb -0.10 -1.94 -0.04 0.00 0.21 0.00 0.00 66.02 64.15 1uge s SER 217 CO 0.21 0.40 -0.11 0.68 0.41 0.00 0.00 173.24 174.83 1uge s VAL 218 N -1.01 1.04 0.76 3.43 -7.23 -0.62 -3.57 120.40 113.20 1uge s VAL 218 Ca 0.15 -1.66 -0.12 0.00 -1.81 0.00 0.00 61.98 58.54 1uge s VAL 218 Cb -0.12 -1.41 0.05 0.00 0.56 0.00 0.00 36.38 35.46 1uge s VAL 218 CO 0.04 -0.53 1.10 -0.94 -0.31 0.00 0.00 175.10 174.47 1uge s SER 219 N -2.46 4.91 0.30 4.85 1.04 -1.14 -0.47 113.70 120.74 1uge s SER 219 Ca 0.06 1.19 0.01 0.00 0.48 0.00 0.00 55.95 57.69 1uge s SER 219 Cb -0.03 -1.93 0.48 0.00 0.10 0.00 0.00 66.02 64.63 1uge s SER 219 CO 0.01 -1.69 1.84 -1.28 0.98 0.00 0.00 173.24 173.10 1uge h SER 220 N -0.90 0.65 -0.24 7.02 0.87 -1.93 -2.43 113.55 116.58 1uge h SER 220 Ca -0.46 -0.12 -0.07 0.00 -1.23 0.00 0.00 61.79 59.91 1uge h SER 220 Cb 1.27 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 63.04 1uge h SER 220 CO 0.62 0.68 -0.07 -0.33 -0.53 0.00 0.00 176.83 177.20 1uge h GLU 221 N 0.67 0.61 -0.13 2.24 3.07 -1.95 -0.59 114.58 118.49 1uge h GLU 221 Ca 0.14 -0.17 -0.03 0.00 -0.50 0.00 0.00 59.36 58.80 1uge h GLU 221 Cb 0.33 -0.07 -0.00 0.00 -0.84 0.00 0.00 28.75 28.16 1uge h GLU 221 CO 0.01 0.68 -0.05 1.96 -1.40 0.00 0.00 179.01 180.21 1uge h GLN 222 N 0.57 0.27 -0.10 2.33 4.20 -1.82 -3.01 115.11 117.54 1uge h GLN 222 Ca 0.11 -0.11 -0.08 0.00 0.06 0.00 0.00 58.65 58.63 1uge h GLN 222 Cb 0.47 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.22 1uge h GLN 222 CO 0.02 0.58 -0.29 -0.39 -0.67 0.00 0.00 178.83 178.09 1uge h VAL 223 N -0.06 1.25 -0.95 -0.54 -1.51 -1.26 -2.68 116.25 110.50 1uge h VAL 223 Ca 0.03 -1.17 0.02 0.00 -1.23 0.00 0.00 66.70 64.36 1uge h VAL 223 Cb 0.49 1.49 -0.05 0.00 -2.13 0.00 0.00 31.29 31.09 1uge h VAL 223 CO 0.02 0.35 0.63 -0.07 -1.23 0.00 0.00 177.57 177.26 1uge h LEU 224 N 0.17 1.06 -1.35 4.19 3.38 -1.07 -1.88 115.31 119.82 1uge h LEU 224 Ca 0.03 -0.02 0.02 0.00 0.09 0.00 0.00 57.88 57.99 1uge h LEU 224 Cb 0.60 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.06 1uge h LEU 224 CO 0.04 0.75 0.45 0.11 0.09 0.00 0.00 178.44 179.88 1uge h LYS 225 N 1.25 0.86 -0.39 1.13 1.79 -1.34 -2.03 116.57 117.83 1uge h LYS 225 Ca 0.36 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.78 1uge h LYS 225 Cb -0.08 -0.19 -0.02 0.00 -1.58 0.00 0.00 32.23 30.36 1uge h LYS 225 CO -0.09 0.57 0.24 0.74 -1.08 0.00 0.00 179.45 179.83 1uge h PHE 226 N 0.88 0.50 0.00 -1.35 -1.00 -1.36 -2.83 116.94 111.78 1uge h PHE 226 Ca 0.26 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.04 1uge h PHE 226 Cb -0.05 -0.17 0.00 0.00 3.61 0.00 0.00 35.95 39.34 1uge h PHE 226 CO -0.00 0.34 0.00 0.54 -1.61 0.00 0.00 178.31 177.58 1uge n ARG 227 N -4.79 0.11 0.00 1.51 1.74 -0.77 -2.36 116.66 112.10 1uge n ARG 227 Ca 0.00 0.22 0.12 0.00 -0.77 0.00 0.00 57.85 57.42 1uge n ARG 227 Cb 0.04 -1.50 0.25 0.00 -1.02 0.00 0.00 32.46 30.23 1uge n ARG 227 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1uge n LYS 228 N -1.34 0.44 -1.06 5.56 5.02 -1.07 -4.44 118.16 121.27 1uge n LYS 228 Ca 0.04 -0.28 -0.29 0.00 -2.02 0.00 0.00 58.31 55.77 1uge n LYS 228 Cb 0.09 -1.49 0.17 0.00 -0.02 0.00 0.00 35.03 33.78 1uge n LYS 228 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1uge s LEU 229 N -2.75 1.79 0.01 -0.35 1.43 -0.99 -4.86 118.68 112.95 1uge s LEU 229 Ca 0.17 1.41 0.08 0.00 -1.03 0.00 0.00 54.13 54.75 1uge s LEU 229 Cb 0.18 -3.65 -0.02 0.00 0.03 0.00 0.00 46.19 42.73 1uge s LEU 229 CO 0.63 -3.12 -0.23 0.20 0.23 0.00 0.00 176.35 174.06 1uge s ASN 230 N -3.25 2.70 0.07 2.29 0.02 0.04 -0.87 114.94 115.94 1uge s ASN 230 Ca 0.65 -0.48 -0.07 0.00 -1.02 0.00 0.00 52.86 51.94 1uge s ASN 230 Cb -0.20 -0.27 -0.28 0.00 0.02 0.00 0.00 41.25 40.53 1uge s ASN 230 CO 0.58 0.24 1.13 -0.26 0.02 0.00 0.00 177.10 178.82 1uge h PHE 231 N 5.22 0.64 -4.28 2.20 0.04 -1.18 -3.34 116.94 116.24 1uge h PHE 231 Ca -0.42 -0.45 -0.50 0.00 2.80 0.00 0.00 57.97 59.40 1uge h PHE 231 Cb 1.14 -0.03 0.11 0.00 2.20 0.00 0.00 35.95 39.37 1uge h PHE 231 CO 0.44 1.34 0.33 0.54 -0.60 0.00 0.00 178.31 180.36 1uge s ASN 232 N -7.25 4.62 0.53 2.17 4.22 -1.26 -4.43 114.94 113.55 1uge s ASN 232 Ca -0.06 1.46 -0.04 0.00 -2.14 0.00 0.00 52.86 52.08 1uge s ASN 232 Cb 0.07 -2.22 0.00 0.00 1.28 0.00 0.00 41.25 40.37 1uge s ASN 232 CO 0.90 -1.91 0.81 -0.83 -2.04 0.00 0.00 177.10 174.03 1uge s GLY 233 N -3.77 1.58 0.31 0.45 0.00 -1.26 -1.00 107.32 103.63 1uge s GLY 233 Ca 0.60 -0.80 -0.29 0.00 0.00 0.00 0.00 44.72 44.23 1uge s GLY 233 CO 0.55 -0.57 1.35 -2.21 0.00 0.00 0.00 173.10 172.23 1uge n GLU 234 N -2.39 2.18 0.00 2.90 2.13 -1.26 -2.05 120.64 122.15 1uge n GLU 234 Ca 0.03 0.77 0.00 0.00 0.66 0.00 0.00 57.16 58.62 1uge n GLU 234 Cb 0.57 -2.39 0.00 0.00 0.27 0.00 0.00 31.44 29.89 1uge n GLU 234 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1uge n GLY 235 N 1.22 2.14 3.96 8.31 0.00 -1.26 -5.03 105.19 114.52 1uge n GLY 235 Ca 0.07 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.86 1uge n GLY 235 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1uge s GLU 236 N -0.41 2.84 0.33 1.61 2.02 -0.87 -5.03 118.70 119.19 1uge s GLU 236 Ca 0.00 -0.61 -0.29 0.00 0.02 0.00 0.00 54.97 54.09 1uge s GLU 236 Cb 0.00 -2.52 -0.12 0.00 0.10 0.00 0.00 34.13 31.59 1uge s GLU 236 CO 0.00 -0.46 1.52 -2.30 0.02 0.00 0.00 175.26 174.04 1uge n PRO 237 N -2.20 2.62 -2.18 0.39 -0.02 -1.26 -4.90 135.00 127.46 1uge n PRO 237 Ca 0.04 0.93 -0.42 0.00 -2.02 0.00 0.00 63.50 62.02 1uge n PRO 237 Cb 0.58 -2.67 -0.03 0.00 -0.02 0.00 0.00 33.50 31.37 1uge n PRO 237 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1uge s GLU 238 N -1.22 4.21 -0.27 -0.52 2.12 -1.26 -4.75 118.70 117.01 1uge s GLU 238 Ca 0.59 1.98 0.02 0.00 0.36 0.00 0.00 54.97 57.92 1uge s GLU 238 Cb -0.50 -3.84 0.07 0.00 0.26 0.00 0.00 34.13 30.12 1uge s GLU 238 CO 0.56 -0.76 -0.05 -1.21 -0.54 0.00 0.00 175.26 173.26 1uge s GLU 239 N 3.58 1.83 0.26 4.30 0.41 -1.26 -5.05 118.70 122.76 1uge s GLU 239 Ca 0.66 -1.30 -0.30 0.00 -0.41 0.00 0.00 54.97 53.61 1uge s GLU 239 Cb -0.29 -2.80 -0.10 0.00 -1.78 0.00 0.00 34.13 29.16 1uge s GLU 239 CO 0.24 -0.66 1.44 -0.51 -0.49 0.00 0.00 175.26 175.28 1uge s LEU 240 N 1.19 4.39 -0.96 1.80 1.43 -1.26 -0.71 118.68 124.55 1uge s LEU 240 Ca -0.04 2.69 -0.24 0.00 -1.03 0.00 0.00 54.13 55.52 1uge s LEU 240 Cb -0.19 -3.63 0.04 0.00 0.03 0.00 0.00 46.19 42.44 1uge s LEU 240 CO -0.07 -0.70 1.47 -0.32 0.23 0.00 0.00 176.35 176.96 1uge s MET 241 N -0.53 3.42 0.05 1.70 -2.45 -0.05 -4.64 119.30 116.79 1uge s MET 241 Ca 0.58 -0.88 -0.00 0.00 -1.25 0.00 0.00 55.69 54.14 1uge s MET 241 Cb -0.42 -5.13 -0.03 0.00 1.25 0.00 0.00 34.83 30.50 1uge s MET 241 CO 0.45 -2.31 -0.03 0.14 1.05 0.00 0.00 175.02 174.32 1uge s VAL 242 N 5.59 0.24 -1.40 10.11 -7.23 -1.26 -4.50 120.40 121.95 1uge s VAL 242 Ca 0.47 -1.55 -0.08 0.00 -1.81 0.00 0.00 61.98 59.00 1uge s VAL 242 Cb -0.02 -1.16 0.04 0.00 0.56 0.00 0.00 36.38 35.79 1uge s VAL 242 CO -0.05 -0.84 1.01 0.47 -0.31 0.00 0.00 175.10 175.39 1uge n ASP 243 N 0.54 -4.42 -2.87 4.85 8.00 -0.23 -4.85 116.55 117.56 1uge n ASP 243 Ca -0.17 -0.69 -0.32 0.00 0.71 0.00 0.00 54.79 54.32 1uge n ASP 243 Cb 0.59 -4.44 -0.03 0.00 -0.02 0.00 0.00 41.12 37.22 1uge n ASP 243 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1uge n ASN 244 N -2.97 7.06 -4.23 -2.24 6.94 -1.07 -4.91 115.26 113.85 1uge n ASN 244 Ca -0.06 -3.23 -0.20 0.00 -0.02 0.00 0.00 54.58 51.07 1uge n ASN 244 Cb 0.58 -1.26 -0.12 0.00 -2.36 0.00 0.00 39.78 36.62 1uge n ASN 244 CO 0.00 0.00 0.00 -1.66 -1.03 0.00 0.00 177.26 174.57 1uge s TRP 245 N -1.74 1.45 -0.13 -2.53 1.48 -1.26 -4.58 118.94 111.63 1uge s TRP 245 Ca 0.56 -0.48 -0.07 0.00 -1.06 0.00 0.00 56.10 55.05 1uge s TRP 245 Cb 0.31 -0.79 -0.04 0.00 -1.16 0.00 0.00 33.47 31.80 1uge s TRP 245 CO -0.19 0.14 0.13 0.50 -4.06 0.00 0.00 176.95 173.47 1uge s ARG 246 N -2.16 3.53 0.79 3.25 3.52 -1.26 -4.98 118.95 121.63 1uge s ARG 246 Ca 0.05 -0.17 -0.11 0.00 -0.13 0.00 0.00 55.73 55.37 1uge s ARG 246 Cb -0.08 -3.19 0.07 0.00 -1.56 0.00 0.00 34.95 30.18 1uge s ARG 246 CO 0.03 0.69 1.09 -1.25 -0.81 0.00 0.00 175.30 175.06 1uge s PRO 247 N -0.78 2.14 0.33 5.12 0.04 -1.26 -4.67 135.00 135.91 1uge s PRO 247 Ca 0.14 1.18 -0.29 0.00 0.04 0.00 0.00 61.00 62.07 1uge s PRO 247 Cb -0.12 -1.88 -0.12 0.00 0.04 0.00 0.00 34.50 32.42 1uge s PRO 247 CO 0.03 -1.73 1.32 0.00 0.04 0.00 0.00 177.00 176.66 1uge n ALA 248 N -3.58 1.35 -2.75 8.56 0.00 -1.26 -4.37 120.51 118.45 1uge n ALA 248 Ca 0.09 0.37 -0.24 0.00 0.00 0.00 0.00 53.44 53.66 1uge n ALA 248 Cb 0.53 -2.27 -0.06 0.00 0.00 0.00 0.00 19.45 17.65 1uge n ALA 248 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1uge s GLN 249 N -1.63 2.70 0.33 0.00 -1.52 0.11 -4.95 119.66 114.70 1uge s GLN 249 Ca 0.57 -1.10 -0.29 0.00 -1.95 0.00 0.00 55.36 52.59 1uge s GLN 249 Cb -0.57 -2.46 -0.11 0.00 -0.22 0.00 0.00 33.01 29.65 1uge s GLN 249 CO 0.60 0.42 1.51 -1.25 -0.25 0.00 0.00 175.29 176.32 1uge s PRO 250 N -3.51 4.14 0.25 2.91 0.04 -1.26 -4.58 135.00 133.00 1uge s PRO 250 Ca 0.31 2.53 0.05 0.00 0.04 0.00 0.00 61.00 63.93 1uge s PRO 250 Cb -0.08 -3.01 0.31 0.00 0.04 0.00 0.00 34.50 31.76 1uge s PRO 250 CO 0.22 -0.54 1.61 1.25 0.04 0.00 0.00 177.00 179.58 1uge h LEU 251 N 3.96 0.29 0.00 -3.56 5.85 -1.94 -3.44 115.31 116.47 1uge h LEU 251 Ca -0.49 -0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.08 1uge h LEU 251 Cb 1.23 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.18 1uge h LEU 251 CO 0.72 0.76 0.00 0.29 -0.34 0.00 0.00 178.44 179.87 1uge n LYS 252 N -3.94 0.00 -1.60 1.25 5.02 -1.26 -3.13 118.16 114.50 1uge n LYS 252 Ca -0.02 0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 55.92 1uge n LYS 252 Cb 0.56 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 35.53 1uge n LYS 252 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1uge n ASN 253 N 2.94 7.72 -4.06 4.39 5.15 -1.26 -4.90 115.26 125.25 1uge n ASN 253 Ca 0.00 -2.90 -0.11 0.00 -0.60 0.00 0.00 54.58 50.97 1uge n ASN 253 Cb 0.00 -1.41 -0.11 0.00 -0.53 0.00 0.00 39.78 37.73 1uge n ASN 253 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 1uge s ARG 254 N 0.02 0.52 -0.04 1.20 0.52 -1.18 -5.11 118.95 114.87 1uge s ARG 254 Ca 0.61 -0.84 0.05 0.00 -0.52 0.00 0.00 55.73 55.04 1uge s ARG 254 Cb 0.23 -0.12 -0.01 0.00 0.52 0.00 0.00 34.95 35.57 1uge s ARG 254 CO -0.09 -0.00 -0.21 -1.14 0.02 0.00 0.00 175.30 173.88 1uge s GLN 255 N -2.07 2.03 -0.19 3.54 -0.44 -1.26 -5.03 119.66 116.24 1uge s GLN 255 Ca -0.07 -0.74 -0.14 0.00 -2.50 0.00 0.00 55.36 51.92 1uge s GLN 255 Cb -0.06 -1.78 -0.05 0.00 -1.64 0.00 0.00 33.01 29.48 1uge s GLN 255 CO -0.02 0.33 0.29 0.42 0.50 0.00 0.00 175.29 176.81 1uge s ILE 256 N -0.12 5.30 0.00 -2.34 1.01 -1.26 -4.69 121.20 119.09 1uge s ILE 256 Ca -0.02 0.51 0.03 0.00 0.00 0.00 0.00 60.65 61.17 1uge s ILE 256 Cb -0.12 -3.62 -0.03 0.00 0.01 0.00 0.00 42.46 38.70 1uge s ILE 256 CO 0.02 0.35 -0.07 -0.54 0.00 0.00 0.00 174.94 174.71 1uge s LYS 257 N 0.75 2.55 0.05 2.79 1.02 -0.62 -0.36 119.74 125.92 1uge s LYS 257 Ca 0.15 -0.72 0.05 0.00 0.02 0.00 0.00 55.97 55.47 1uge s LYS 257 Cb -0.13 -2.50 -0.04 0.00 -0.52 0.00 0.00 37.83 34.64 1uge s LYS 257 CO 0.04 0.60 -0.08 0.00 -0.92 0.00 0.00 175.35 175.00 1uge s ALA 258 N -0.99 3.01 -2.25 5.17 0.00 0.12 -0.68 121.76 126.14 1uge s ALA 258 Ca 0.17 -1.12 0.20 0.00 0.00 0.00 0.00 51.96 51.20 1uge s ALA 258 Cb -0.11 -1.03 0.55 0.00 0.00 0.00 0.00 23.12 22.53 1uge s ALA 258 CO 0.07 0.63 1.44 -1.13 0.00 0.00 0.00 175.76 176.78 1uge n SER 259 N 1.12 2.52 -4.03 0.00 3.41 -0.12 -1.45 113.62 115.07 1uge n SER 259 Ca -0.14 -1.89 -0.12 0.00 -0.26 0.00 0.00 58.87 56.46 1uge n SER 259 Cb 0.52 -0.22 -0.08 0.00 -0.26 0.00 0.00 64.21 64.17 1uge n SER 259 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 1uge s PHE 260 N -1.56 0.97 -0.84 7.33 -0.71 -1.26 -4.88 117.98 117.03 1uge s PHE 260 Ca 0.34 -1.21 0.07 0.00 -1.04 0.00 0.00 56.93 55.09 1uge s PHE 260 Cb 0.19 -0.33 0.05 0.00 -1.21 0.00 0.00 43.02 41.72 1uge s PHE 260 CO 0.27 -0.79 0.71 1.63 -1.34 0.00 0.00 175.22 175.70