#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u8w n GLU 2 N 0.00 0.58 -4.12 0.03 2.13 -1.25 -4.71 120.64 113.31 1u8w n GLU 2 Ca 0.00 0.26 -0.15 0.00 0.66 0.00 0.00 57.16 57.92 1u8w n GLU 2 Cb 0.00 -2.33 -0.12 0.00 0.27 0.00 0.00 31.44 29.26 1u8w n GLU 2 CO 0.00 0.00 0.00 -0.65 -0.41 0.00 0.00 177.13 176.07 1u8w s GLN 3 N -3.49 0.66 0.09 5.31 -0.21 -1.26 -1.41 119.66 119.35 1u8w s GLN 3 Ca 0.76 -0.83 0.02 0.00 0.02 0.00 0.00 55.36 55.32 1u8w s GLN 3 Cb -0.34 -0.54 -0.04 0.00 1.00 0.00 0.00 33.01 33.09 1u8w s GLN 3 CO 0.48 0.11 -0.06 -0.08 -2.12 0.00 0.00 175.29 173.62 1u8w s THR 4 N -1.29 0.64 -0.26 -0.19 -1.32 -0.20 -4.75 115.64 108.27 1u8w s THR 4 Ca -0.06 -1.80 -0.08 0.00 -1.21 0.00 0.00 61.69 58.54 1u8w s THR 4 Cb -0.10 -1.51 -0.03 0.00 -1.51 0.00 0.00 72.50 69.35 1u8w s THR 4 CO 0.01 -0.81 0.08 0.12 -2.21 0.00 0.00 174.62 171.81 1u8w s PHE 5 N -3.31 3.10 -0.08 9.09 5.36 -1.26 -2.06 117.98 128.82 1u8w s PHE 5 Ca 0.08 -0.41 0.03 0.00 -0.96 0.00 0.00 56.93 55.67 1u8w s PHE 5 Cb 0.03 -2.25 -0.01 0.00 -0.34 0.00 0.00 43.02 40.44 1u8w s PHE 5 CO -0.04 -0.36 -0.19 0.42 -1.46 0.00 0.00 175.22 173.59 1u8w s ILE 6 N 1.62 2.58 -0.07 3.12 -1.09 -0.85 -1.52 121.20 125.00 1u8w s ILE 6 Ca 0.06 -0.86 0.00 0.00 -2.23 0.00 0.00 60.65 57.62 1u8w s ILE 6 Cb -0.15 -2.01 0.02 0.00 -1.58 0.00 0.00 42.46 38.74 1u8w s ILE 6 CO 0.04 0.56 -0.04 -0.32 -1.23 0.00 0.00 174.94 173.95 1u8w s MET 7 N -0.05 0.99 -0.17 2.79 -2.45 -0.19 -0.71 119.30 119.51 1u8w s MET 7 Ca -0.05 -0.09 -0.27 0.00 -1.25 0.00 0.00 55.69 54.02 1u8w s MET 7 Cb -0.14 -1.09 -0.01 0.00 1.25 0.00 0.00 34.83 34.83 1u8w s MET 7 CO 0.04 -0.18 0.92 0.42 1.05 0.00 0.00 175.02 177.27 1u8w s ILE 8 N 1.41 4.81 0.77 10.11 1.01 -0.34 0.32 121.20 139.29 1u8w s ILE 8 Ca -0.03 1.82 -0.12 0.00 0.00 0.00 0.00 60.65 62.33 1u8w s ILE 8 Cb -0.13 -4.22 0.05 0.00 0.01 0.00 0.00 42.46 38.17 1u8w s ILE 8 CO -0.03 -0.03 1.10 -0.54 0.00 0.00 0.00 174.94 175.44 1u8w s LYS 9 N 2.38 2.30 0.38 2.79 1.02 -0.47 -1.73 119.74 126.41 1u8w s LYS 9 Ca 0.42 0.55 0.20 0.00 0.02 0.00 0.00 55.97 57.15 1u8w s LYS 9 Cb -0.17 -1.95 1.17 0.00 -0.52 0.00 0.00 37.83 36.36 1u8w s LYS 9 CO 0.12 -1.45 1.70 -1.35 -0.92 0.00 0.00 175.35 173.45 1u8w h PRO 10 N -0.96 0.30 0.00 -1.68 0.11 -1.85 0.50 132.00 128.42 1u8w h PRO 10 Ca -0.46 -0.02 -0.12 0.00 0.11 0.00 0.00 66.00 65.51 1u8w h PRO 10 Cb 1.27 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.29 1u8w h PRO 10 CO 0.61 0.20 -0.56 0.38 -0.21 0.00 0.00 178.00 178.41 1u8w h ASP 11 N 0.31 0.00 -0.47 -2.05 2.03 -1.88 -2.15 116.42 112.20 1u8w h ASP 11 Ca 0.70 0.00 -0.09 0.00 -0.73 0.00 0.00 57.03 56.91 1u8w h ASP 11 Cb 1.81 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 40.29 1u8w h ASP 11 CO -0.44 0.56 -0.04 1.23 -1.03 0.00 0.00 179.24 179.53 1u8w h GLY 12 N 2.36 0.99 0.66 7.15 0.00 -0.16 -1.02 103.07 113.05 1u8w h GLY 12 Ca -0.01 -0.72 -0.07 0.00 0.00 0.00 0.00 47.33 46.53 1u8w h GLY 12 CO 0.07 0.66 -0.23 -2.08 0.00 0.00 0.00 176.54 174.96 1u8w h VAL 13 N 0.84 1.41 -0.38 4.60 2.07 -1.37 -0.15 116.25 123.27 1u8w h VAL 13 Ca 0.15 -1.58 -0.01 0.00 0.82 0.00 0.00 66.70 66.07 1u8w h VAL 13 Cb 0.55 2.22 -0.02 0.00 -1.52 0.00 0.00 31.29 32.53 1u8w h VAL 13 CO 0.03 0.45 0.18 1.56 0.02 0.00 0.00 177.57 179.81 1u8w h GLN 14 N -0.17 0.52 -0.27 1.57 1.08 -1.32 -1.49 115.11 115.03 1u8w h GLN 14 Ca -0.01 -0.06 0.00 0.00 -1.45 0.00 0.00 58.65 57.14 1u8w h GLN 14 Cb 0.85 -0.11 0.00 0.00 -0.05 0.00 0.00 27.48 28.17 1u8w h GLN 14 CO 0.05 0.41 0.00 0.54 -0.95 0.00 0.00 178.83 178.88 1u8w n ARG 15 N -4.41 1.70 -3.49 1.46 1.74 -0.40 -4.92 116.66 108.34 1u8w n ARG 15 Ca 0.02 -1.08 -0.19 0.00 -0.77 0.00 0.00 57.85 55.83 1u8w n ARG 15 Cb 0.12 -1.28 0.08 0.00 -1.02 0.00 0.00 32.46 30.36 1u8w n ARG 15 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1u8w n GLY 16 N 1.02 -0.42 0.71 -0.13 0.00 -0.56 -4.93 105.19 100.88 1u8w n GLY 16 Ca 0.12 0.15 0.08 0.00 0.00 0.00 0.00 46.02 46.37 1u8w n GLY 16 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1u8w n LEU 17 N -4.42 2.63 0.12 0.99 4.77 -0.08 -4.69 117.00 116.32 1u8w n LEU 17 Ca -0.19 -1.34 -0.14 0.00 -0.03 0.00 0.00 56.01 54.30 1u8w n LEU 17 Cb 0.63 -0.11 -0.09 0.00 -2.33 0.00 0.00 43.42 41.53 1u8w n LEU 17 CO 0.63 0.55 0.51 0.40 -1.33 0.00 0.00 177.39 178.15 1u8w h ILE 18 N 2.95 0.00 -0.34 -0.08 2.04 -1.88 -1.97 117.51 118.23 1u8w h ILE 18 Ca 0.00 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.93 1u8w h ILE 18 Cb 0.70 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 36.70 1u8w h ILE 18 CO 0.00 0.00 -0.30 1.23 0.00 0.00 0.00 178.15 179.08 1u8w h GLY 19 N -0.69 -0.22 0.21 5.37 0.00 -1.96 -2.40 103.07 103.38 1u8w h GLY 19 Ca -0.01 0.38 0.11 0.00 0.00 0.00 0.00 47.33 47.80 1u8w h GLY 19 CO -0.22 -0.21 0.14 -2.09 0.00 0.00 0.00 176.54 174.16 1u8w h GLU 20 N -0.26 0.27 0.14 4.80 4.57 -1.82 -0.55 114.58 121.73 1u8w h GLU 20 Ca 0.16 -0.02 0.01 0.00 -1.18 0.00 0.00 59.36 58.33 1u8w h GLU 20 Cb 0.52 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.03 1u8w h GLU 20 CO -0.48 0.18 -0.15 0.28 -1.18 0.00 0.00 179.01 177.65 1u8w h VAL 21 N 0.27 0.66 -0.71 0.32 2.07 -0.88 -2.43 116.25 115.56 1u8w h VAL 21 Ca 0.31 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.92 1u8w h VAL 21 Cb 0.46 0.66 -0.07 0.00 -1.52 0.00 0.00 31.29 30.82 1u8w h VAL 21 CO -0.39 0.00 0.36 0.40 0.02 0.00 0.00 177.57 177.96 1u8w h ILE 22 N -0.33 0.86 -0.64 4.57 2.04 -0.97 -2.31 117.51 120.73 1u8w h ILE 22 Ca 0.01 -0.21 0.13 0.00 1.00 0.00 0.00 64.86 65.79 1u8w h ILE 22 Cb 0.32 0.19 -0.10 0.00 -0.74 0.00 0.00 36.82 36.49 1u8w h ILE 22 CO -0.05 0.11 0.10 0.00 0.00 0.00 0.00 178.15 178.32 1u8w h ARG 24 N 0.22 0.28 -0.78 0.00 3.08 -1.13 0.94 114.38 116.98 1u8w h ARG 24 Ca 0.35 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 60.32 1u8w h ARG 24 Cb 0.55 -0.05 -0.04 0.00 0.08 0.00 0.00 29.97 30.52 1u8w h ARG 24 CO -0.47 0.31 0.36 0.74 -1.07 0.00 0.00 179.97 179.84 1u8w h PHE 25 N 0.18 1.12 -0.67 3.04 0.04 -1.40 -1.01 116.94 118.25 1u8w h PHE 25 Ca 0.07 -0.06 -0.06 0.00 2.80 0.00 0.00 57.97 60.72 1u8w h PHE 25 Cb 0.12 -0.35 -0.03 0.00 2.20 0.00 0.00 35.95 37.89 1u8w h PHE 25 CO -0.03 0.82 0.19 0.93 -0.60 0.00 0.00 178.31 179.62 1u8w h GLU 26 N 1.11 1.06 -0.05 1.51 5.08 -0.63 -2.83 114.58 119.83 1u8w h GLU 26 Ca 0.27 -0.24 -0.10 0.00 -1.00 0.00 0.00 59.36 58.29 1u8w h GLU 26 Cb 0.13 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 1u8w h GLU 26 CO -0.03 0.93 -0.42 0.87 -1.00 0.00 0.00 179.01 179.37 1u8w h LYS 27 N 0.99 0.10 0.00 2.33 1.57 -0.29 -2.81 116.57 118.47 1u8w h LYS 27 Ca 0.21 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.90 1u8w h LYS 27 Cb 0.33 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 1u8w h LYS 27 CO -0.00 0.51 -0.21 -0.22 -0.57 0.00 0.00 179.45 178.96 1u8w h LYS 28 N 0.09 0.00 0.00 3.15 1.63 -0.96 -3.46 116.57 117.01 1u8w h LYS 28 Ca 0.01 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.81 1u8w h LYS 28 Cb 0.78 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.41 1u8w h LYS 28 CO 0.06 0.21 0.00 0.41 -3.45 0.00 0.00 179.45 176.67 1u8w n GLY 29 N -0.46 0.92 3.83 5.01 0.00 -1.06 -5.11 105.19 108.32 1u8w n GLY 29 Ca -0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 1u8w n GLY 29 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1u8w s PHE 30 N -2.00 3.27 -0.10 1.61 0.08 -1.12 -4.99 117.98 114.73 1u8w s PHE 30 Ca 0.00 1.42 -0.00 0.00 0.12 0.00 0.00 56.93 58.47 1u8w s PHE 30 Cb 0.00 -2.86 -0.02 0.00 -0.57 0.00 0.00 43.02 39.57 1u8w s PHE 30 CO 0.00 -0.91 -0.09 0.95 -0.10 0.00 0.00 175.22 175.07 1u8w s THR 31 N -2.85 3.48 -0.05 0.64 -4.23 -0.90 -4.61 115.64 107.12 1u8w s THR 31 Ca 0.59 -0.53 -0.30 0.00 -1.18 0.00 0.00 61.69 60.26 1u8w s THR 31 Cb -0.13 -2.45 -0.03 0.00 1.34 0.00 0.00 72.50 71.23 1u8w s THR 31 CO 0.46 0.55 1.05 -0.22 -0.54 0.00 0.00 174.62 175.92 1u8w s LEU 32 N -0.21 4.30 0.00 4.79 2.96 -1.26 -1.20 118.68 128.06 1u8w s LEU 32 Ca 0.02 1.67 0.04 0.00 -0.22 0.00 0.00 54.13 55.64 1u8w s LEU 32 Cb -0.13 -3.56 0.05 0.00 0.50 0.00 0.00 46.19 43.05 1u8w s LEU 32 CO 0.03 -0.42 0.72 0.29 -1.32 0.00 0.00 176.35 175.64 1u8w n LYS 33 N 4.61 0.18 -3.62 1.98 4.76 0.16 -4.93 118.16 121.30 1u8w n LYS 33 Ca 0.08 -0.92 -0.11 0.00 -2.87 0.00 0.00 58.31 54.49 1u8w n LYS 33 Cb 0.49 -1.09 -0.07 0.00 -1.84 0.00 0.00 35.03 32.52 1u8w n LYS 33 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1u8w s GLY 34 N -0.47 -0.28 -0.29 0.72 0.00 -1.20 -0.99 107.32 104.81 1u8w s GLY 34 Ca 0.06 2.38 -0.15 0.00 0.00 0.00 0.00 44.72 47.01 1u8w s GLY 34 CO 0.06 1.67 0.83 -2.27 0.00 0.00 0.00 173.10 173.38 1u8w s LEU 35 N 0.02 -0.78 -0.28 0.66 0.20 -1.25 -1.73 118.68 115.51 1u8w s LEU 35 Ca 0.01 1.17 -0.23 0.00 0.69 0.00 0.00 54.13 55.78 1u8w s LEU 35 Cb -0.04 2.03 0.10 0.00 -0.43 0.00 0.00 46.19 47.86 1u8w s LEU 35 CO -0.03 -0.18 0.89 -1.59 -0.29 0.00 0.00 176.35 175.16 1u8w s LYS 36 N 1.94 0.61 -0.05 1.98 -2.85 -0.71 -4.99 119.74 115.67 1u8w s LYS 36 Ca -0.08 0.81 -0.28 0.00 -1.00 0.00 0.00 55.97 55.42 1u8w s LYS 36 Cb -0.06 0.26 -0.03 0.00 -2.06 0.00 0.00 37.83 35.94 1u8w s LYS 36 CO -0.18 -0.09 0.92 -1.17 0.10 0.00 0.00 175.35 174.93 1u8w s LEU 37 N 0.61 4.32 0.03 2.77 0.20 -1.26 -0.73 118.68 124.63 1u8w s LEU 37 Ca -0.01 1.50 0.03 0.00 0.69 0.00 0.00 54.13 56.33 1u8w s LEU 37 Cb -0.05 -3.44 -0.02 0.00 -0.43 0.00 0.00 46.19 42.25 1u8w s LEU 37 CO -0.07 -0.28 -0.09 -0.63 -0.29 0.00 0.00 176.35 174.99 1u8w s ILE 38 N 1.27 0.66 -0.42 6.68 1.01 0.61 -4.97 121.20 126.04 1u8w s ILE 38 Ca 0.47 -0.90 -0.08 0.00 0.00 0.00 0.00 60.65 60.14 1u8w s ILE 38 Cb -0.19 -0.66 0.08 0.00 0.01 0.00 0.00 42.46 41.70 1u8w s ILE 38 CO 0.23 -0.19 0.26 -0.55 0.00 0.00 0.00 174.94 174.68 1u8w s SER 39 N -1.20 5.59 0.17 3.58 0.15 -1.26 -0.94 113.70 119.79 1u8w s SER 39 Ca -0.05 -1.58 -0.30 0.00 0.70 0.00 0.00 55.95 54.72 1u8w s SER 39 Cb -0.08 -1.97 -0.08 0.00 -1.71 0.00 0.00 66.02 62.18 1u8w s SER 39 CO 0.01 -0.55 1.26 -0.69 1.20 0.00 0.00 173.24 174.47 1u8w s VAL 40 N 1.39 3.44 -0.13 4.45 1.01 -1.26 -5.03 120.40 124.27 1u8w s VAL 40 Ca 0.03 1.17 -0.09 0.00 0.00 0.00 0.00 61.98 63.09 1u8w s VAL 40 Cb -0.23 -3.75 -0.04 0.00 0.00 0.00 0.00 36.38 32.36 1u8w s VAL 40 CO 0.01 0.17 0.17 -1.61 0.00 0.00 0.00 175.10 173.84 1u8w s GLU 41 N 0.03 3.72 0.05 2.72 2.02 -1.26 -4.68 118.70 121.30 1u8w s GLU 41 Ca 0.56 -0.08 -0.06 0.00 0.02 0.00 0.00 54.97 55.41 1u8w s GLU 41 Cb -0.34 -3.27 0.02 0.00 0.10 0.00 0.00 34.13 30.64 1u8w s GLU 41 CO 0.36 0.62 0.38 0.54 0.02 0.00 0.00 175.26 177.18 1u8w n ARG 42 N 2.45 -0.08 -0.07 1.61 5.12 -1.26 -0.25 116.66 124.18 1u8w n ARG 42 Ca -0.18 0.37 -0.03 0.00 -1.93 0.00 0.00 57.85 56.09 1u8w n ARG 42 Cb 0.54 -0.55 0.22 0.00 -1.16 0.00 0.00 32.46 31.50 1u8w n ARG 42 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 1u8w h SER 43 N 0.00 0.65 -0.49 0.55 4.64 -2.00 -2.32 113.55 114.59 1u8w h SER 43 Ca 0.06 -0.14 -0.11 0.00 -0.47 0.00 0.00 61.79 61.13 1u8w h SER 43 Cb 0.12 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 62.03 1u8w h SER 43 CO -0.24 0.71 -0.13 0.15 -0.87 0.00 0.00 176.83 176.46 1u8w h PHE 44 N 0.65 1.07 -0.16 4.77 3.57 -1.03 -2.85 116.94 122.96 1u8w h PHE 44 Ca 0.13 -0.24 0.02 0.00 3.53 0.00 0.00 57.97 61.42 1u8w h PHE 44 Cb 0.39 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 38.85 1u8w h PHE 44 CO 0.02 1.03 0.01 0.00 -2.23 0.00 0.00 178.31 177.14 1u8w h ALA 45 N 0.89 0.15 -0.35 2.41 0.00 -1.19 -1.72 119.26 119.44 1u8w h ALA 45 Ca 0.12 0.04 0.10 0.00 0.00 0.00 0.00 54.91 55.17 1u8w h ALA 45 Cb 0.69 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1u8w h ALA 45 CO 0.05 -0.43 0.25 0.93 0.00 0.00 0.00 179.25 180.05 1u8w h GLU 46 N 0.07 0.02 0.00 0.00 5.08 -1.29 -0.21 114.58 118.25 1u8w h GLU 46 Ca 0.07 -0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.25 1u8w h GLU 46 Cb 0.08 -0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.34 1u8w h GLU 46 CO -0.12 0.01 -0.73 0.87 -1.00 0.00 0.00 179.01 178.05 1u8w h LYS 47 N 0.02 0.49 -0.21 2.33 1.57 -1.16 -1.84 116.57 117.77 1u8w h LYS 47 Ca 0.16 -0.53 0.02 0.00 -1.87 0.00 0.00 60.65 58.43 1u8w h LYS 47 Cb 0.64 0.15 -0.02 0.00 0.08 0.00 0.00 32.23 33.08 1u8w h LYS 47 CO -0.00 1.17 0.09 1.25 -0.57 0.00 0.00 179.45 181.38 1u8w h HIS 48 N 0.02 0.17 -0.37 -1.35 2.76 -0.28 -1.72 115.15 114.38 1u8w h HIS 48 Ca -0.09 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.09 1u8w h HIS 48 Cb 1.43 -0.04 0.00 0.00 1.55 0.00 0.00 27.41 30.34 1u8w h HIS 48 CO 0.14 0.09 0.00 0.66 -1.30 0.00 0.00 177.93 177.52 1u8w n TYR 49 N -5.02 0.88 -0.22 5.26 4.01 -0.24 -4.46 117.16 117.37 1u8w n TYR 49 Ca -0.03 -0.35 0.22 0.00 -0.16 0.00 0.00 57.90 57.58 1u8w n TYR 49 Cb 0.06 -0.17 0.57 0.00 -0.31 0.00 0.00 39.34 39.49 1u8w n TYR 49 CO 0.00 0.00 0.00 1.49 -0.46 0.00 0.00 176.86 177.89 1u8w h GLU 50 N 2.36 0.28 0.00 -0.72 4.81 -0.41 0.19 114.58 121.09 1u8w h GLU 50 Ca 0.00 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1u8w h GLU 50 Cb 0.96 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.28 1u8w h GLU 50 CO 0.14 0.18 0.00 -0.25 -0.73 0.00 0.00 179.01 178.36 1u8w n ASP 51 N -4.45 0.00 0.00 1.04 8.00 -1.26 -2.37 116.55 117.51 1u8w n ASP 51 Ca 0.19 0.07 0.00 0.00 0.71 0.00 0.00 54.79 55.76 1u8w n ASP 51 Cb 0.77 -0.30 0.00 0.00 -0.02 0.00 0.00 41.12 41.57 1u8w n ASP 51 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1u8w n LEU 52 N -1.30 0.99 0.10 0.64 4.77 0.65 -4.79 117.00 118.05 1u8w n LEU 52 Ca 0.08 -0.99 0.02 0.00 -0.03 0.00 0.00 56.01 55.08 1u8w n LEU 52 Cb 0.14 0.00 0.10 0.00 -2.33 0.00 0.00 43.42 41.33 1u8w n LEU 52 CO 0.13 0.25 0.66 -1.54 -1.33 0.00 0.00 177.39 175.56 1u8w n SER 53 N -0.00 0.09 0.00 -1.43 3.41 -1.00 0.09 113.62 114.78 1u8w n SER 53 Ca 0.00 0.29 0.11 0.00 -0.26 0.00 0.00 58.87 59.01 1u8w n SER 53 Cb 0.01 -0.19 0.13 0.00 -0.26 0.00 0.00 64.21 63.89 1u8w n SER 53 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1u8w n SER 54 N -1.58 0.65 -4.81 4.04 3.41 -1.26 -4.90 113.62 109.17 1u8w n SER 54 Ca -0.00 -0.46 -0.33 0.00 -0.26 0.00 0.00 58.87 57.81 1u8w n SER 54 Cb 0.48 0.50 -0.02 0.00 -0.26 0.00 0.00 64.21 64.91 1u8w n SER 54 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1u8w s LYS 55 N -3.01 3.63 0.00 4.33 -0.14 0.11 -4.93 119.74 119.73 1u8w s LYS 55 Ca 0.10 1.19 0.17 0.00 -1.36 0.00 0.00 55.97 56.07 1u8w s LYS 55 Cb 0.17 -2.08 0.77 0.00 -1.68 0.00 0.00 37.83 35.01 1u8w s LYS 55 CO 0.76 -0.55 1.54 -1.13 -0.76 0.00 0.00 175.35 175.20 1u8w n SER 56 N -1.57 0.00 -0.53 2.83 3.41 -1.26 -2.30 113.62 114.19 1u8w n SER 56 Ca 0.08 0.35 0.05 0.00 -0.26 0.00 0.00 58.87 59.10 1u8w n SER 56 Cb 0.53 -0.43 0.11 0.00 -0.26 0.00 0.00 64.21 64.16 1u8w n SER 56 CO 0.00 0.00 0.00 2.22 -0.16 0.00 0.00 175.04 177.10 1u8w n PHE 57 N -1.43 0.29 0.05 7.33 1.16 -1.26 -4.77 117.46 118.83 1u8w n PHE 57 Ca 0.05 -0.33 -0.14 0.00 -1.87 0.00 0.00 57.45 55.16 1u8w n PHE 57 Cb 0.18 -0.02 -0.09 0.00 -1.61 0.00 0.00 39.48 37.94 1u8w n PHE 57 CO 0.00 0.00 0.00 0.35 -1.87 0.00 0.00 176.76 175.24 1u8w h PHE 58 N 1.93 -1.38 -0.64 2.97 3.57 -1.72 -0.32 116.94 121.36 1u8w h PHE 58 Ca 0.00 0.04 0.18 0.00 3.53 0.00 0.00 57.97 61.72 1u8w h PHE 58 Cb 0.62 0.60 -0.03 0.00 2.79 0.00 0.00 35.95 39.93 1u8w h PHE 58 CO 0.14 -0.50 0.46 0.66 -2.23 0.00 0.00 178.31 176.83 1u8w h SER 59 N -0.60 0.03 -0.07 0.41 4.64 -1.86 -0.45 113.55 115.66 1u8w h SER 59 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1u8w h SER 59 Cb 0.63 -0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.72 1u8w h SER 59 CO -0.31 0.01 0.05 1.23 -0.87 0.00 0.00 176.83 176.94 1u8w h GLY 60 N 0.03 0.10 1.14 -0.77 0.00 -1.40 0.22 103.07 102.40 1u8w h GLY 60 Ca 0.30 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.60 1u8w h GLY 60 CO -0.01 0.04 0.56 1.41 0.00 0.00 0.00 176.54 178.53 1u8w h LEU 61 N 0.07 1.01 -0.32 3.11 4.07 -0.59 -1.56 115.31 121.10 1u8w h LEU 61 Ca 0.03 -0.04 -0.03 0.00 0.08 0.00 0.00 57.88 57.92 1u8w h LEU 61 Cb 0.02 -0.25 -0.01 0.00 1.08 0.00 0.00 40.66 41.49 1u8w h LEU 61 CO -0.01 0.75 0.07 0.58 -1.08 0.00 0.00 178.44 178.75 1u8w h VAL 62 N 1.18 1.22 -0.46 1.22 2.07 -0.95 -1.11 116.25 119.42 1u8w h VAL 62 Ca 0.32 -0.75 -0.00 0.00 0.82 0.00 0.00 66.70 67.08 1u8w h VAL 62 Cb -0.11 1.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.75 1u8w h VAL 62 CO -0.07 0.25 0.27 0.44 0.02 0.00 0.00 177.57 178.49 1u8w h ASP 63 N 0.35 0.54 0.04 0.57 3.32 0.03 -2.88 116.42 118.39 1u8w h ASP 63 Ca 0.10 -0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.12 1u8w h ASP 63 Cb 0.30 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.72 1u8w h ASP 63 CO 0.00 0.42 -0.02 0.22 -1.72 0.00 0.00 179.24 178.15 1u8w h TYR 64 N 0.63 -0.04 -0.06 4.55 3.20 -1.07 -3.04 116.97 121.15 1u8w h TYR 64 Ca 0.17 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 62.05 1u8w h TYR 64 Cb -0.02 0.01 -0.00 0.00 1.54 0.00 0.00 36.73 38.26 1u8w h TYR 64 CO 0.00 0.18 0.41 0.97 -1.64 0.00 0.00 178.16 178.08 1u8w h ILE 65 N -1.00 0.04 -0.01 1.81 6.09 -1.25 0.60 117.51 123.79 1u8w h ILE 65 Ca -0.00 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.49 1u8w h ILE 65 Cb 0.24 0.60 0.00 0.00 0.47 0.00 0.00 36.82 38.14 1u8w h ILE 65 CO 0.01 0.00 -0.62 0.52 -3.07 0.00 0.00 178.15 174.99 1u8w n VAL 66 N -2.95 0.00 0.64 2.19 0.31 -1.09 -4.29 118.33 113.14 1u8w n VAL 66 Ca -0.01 -0.17 0.09 0.00 -0.01 0.00 0.00 64.34 64.25 1u8w n VAL 66 Cb 0.47 1.10 0.39 0.00 -0.91 0.00 0.00 33.84 34.89 1u8w n VAL 66 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1u8w n SER 67 N -0.54 0.00 -3.65 4.52 3.41 0.21 -4.85 113.62 112.73 1u8w n SER 67 Ca 0.08 0.49 -0.02 0.00 -0.26 0.00 0.00 58.87 59.16 1u8w n SER 67 Cb 0.42 -0.49 -0.00 0.00 -0.26 0.00 0.00 64.21 63.87 1u8w n SER 67 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1u8w s GLY 68 N -2.99 -0.22 0.60 5.00 0.00 -1.26 -5.11 107.32 103.34 1u8w s GLY 68 Ca 0.09 0.20 -0.16 0.00 0.00 0.00 0.00 44.72 44.85 1u8w s GLY 68 CO 0.33 0.73 1.06 2.56 0.00 0.00 0.00 173.10 177.79 1u8w s PRO 69 N -2.77 3.28 0.27 2.90 0.04 -1.26 -4.56 135.00 132.90 1u8w s PRO 69 Ca 0.15 1.24 0.05 0.00 0.04 0.00 0.00 61.00 62.48 1u8w s PRO 69 Cb 0.00 -2.02 -0.06 0.00 0.04 0.00 0.00 34.50 32.46 1u8w s PRO 69 CO 0.01 -0.85 -0.01 0.14 0.04 0.00 0.00 177.00 176.33 1u8w s VAL 70 N -2.41 1.33 -0.28 -0.36 -7.23 -0.12 -3.83 120.40 107.50 1u8w s VAL 70 Ca 0.64 -2.06 0.01 0.00 -1.81 0.00 0.00 61.98 58.76 1u8w s VAL 70 Cb -0.17 -2.50 0.05 0.00 0.56 0.00 0.00 36.38 34.33 1u8w s VAL 70 CO 0.37 -0.23 -0.06 -0.69 -0.31 0.00 0.00 175.10 174.17 1u8w s VAL 71 N -3.22 2.55 0.28 1.32 1.01 -0.71 -0.29 120.40 121.35 1u8w s VAL 71 Ca 0.31 -1.51 -0.21 0.00 0.00 0.00 0.00 61.98 60.57 1u8w s VAL 71 Cb 0.06 -2.48 -0.09 0.00 0.00 0.00 0.00 36.38 33.87 1u8w s VAL 71 CO 0.12 -0.06 0.81 0.00 0.00 0.00 0.00 175.10 175.97 1u8w s ALA 72 N 1.17 3.31 0.00 5.51 0.00 0.10 -1.20 121.76 130.66 1u8w s ALA 72 Ca -0.07 0.27 -0.15 0.00 0.00 0.00 0.00 51.96 52.01 1u8w s ALA 72 Cb -0.20 -2.95 0.02 0.00 0.00 0.00 0.00 23.12 20.00 1u8w s ALA 72 CO -0.03 0.27 0.32 -1.64 0.00 0.00 0.00 175.76 174.67 1u8w s MET 73 N -2.24 0.72 -0.10 0.00 -1.94 0.11 -1.73 119.30 114.13 1u8w s MET 73 Ca 0.48 -0.28 0.03 0.00 -1.71 0.00 0.00 55.69 54.21 1u8w s MET 73 Cb -0.16 0.32 0.01 0.00 2.01 0.00 0.00 34.83 37.01 1u8w s MET 73 CO 0.21 -0.21 -0.18 0.42 -0.01 0.00 0.00 175.02 175.24 1u8w s ILE 74 N -1.71 1.67 -0.04 2.53 1.01 -0.71 -2.01 121.20 121.94 1u8w s ILE 74 Ca -0.11 -0.77 0.04 0.00 0.00 0.00 0.00 60.65 59.81 1u8w s ILE 74 Cb -0.04 -1.48 -0.00 0.00 0.01 0.00 0.00 42.46 40.95 1u8w s ILE 74 CO 0.02 0.47 -0.16 0.26 0.00 0.00 0.00 174.94 175.53 1u8w s TRP 75 N 0.66 1.60 0.08 3.97 0.52 -0.87 -0.67 118.94 124.23 1u8w s TRP 75 Ca -0.13 -0.43 0.10 0.00 0.02 0.00 0.00 56.10 55.66 1u8w s TRP 75 Cb -0.16 -1.08 -0.03 0.00 -1.15 0.00 0.00 33.47 31.05 1u8w s TRP 75 CO 0.03 -0.13 -0.26 -2.00 0.02 0.00 0.00 176.95 174.61 1u8w s GLU 76 N -0.02 1.68 0.00 4.98 2.12 -0.34 -1.03 118.70 126.09 1u8w s GLU 76 Ca -0.02 -1.19 0.00 0.00 0.36 0.00 0.00 54.97 54.12 1u8w s GLU 76 Cb -0.10 -1.97 0.00 0.00 0.26 0.00 0.00 34.13 32.31 1u8w s GLU 76 CO 0.01 0.49 0.00 0.41 -0.54 0.00 0.00 175.26 175.64 1u8w n GLY 77 N 1.42 2.61 3.71 -1.50 0.00 -0.50 -2.13 105.19 108.81 1u8w n GLY 77 Ca -0.17 -1.13 -0.42 0.00 0.00 0.00 0.00 46.02 44.30 1u8w n GLY 77 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u8w s LYS 78 N -2.05 4.34 -1.23 1.61 1.02 -1.26 -2.34 119.74 119.81 1u8w s LYS 78 Ca 0.00 2.03 0.00 0.00 0.02 0.00 0.00 55.97 58.02 1u8w s LYS 78 Cb 0.00 -3.27 0.00 0.00 -0.52 0.00 0.00 37.83 34.04 1u8w s LYS 78 CO 0.00 -0.41 0.00 0.09 -0.92 0.00 0.00 175.35 174.11 1u8w n ASN 79 N 3.97 -4.85 -0.21 2.83 3.02 -1.26 -4.88 115.26 113.88 1u8w n ASN 79 Ca 0.11 0.29 0.25 0.00 -0.03 0.00 0.00 54.58 55.20 1u8w n ASN 79 Cb 0.43 -3.37 0.64 0.00 -0.61 0.00 0.00 39.78 36.87 1u8w n ASN 79 CO 0.00 0.00 0.00 1.62 -2.62 0.00 0.00 177.26 176.26 1u8w h VAL 80 N 0.00 0.59 0.40 2.41 3.04 -1.78 -0.21 116.25 120.70 1u8w h VAL 80 Ca -0.24 -0.05 -0.02 0.00 -1.01 0.00 0.00 66.70 65.38 1u8w h VAL 80 Cb 0.91 0.42 0.00 0.00 -2.01 0.00 0.00 31.29 30.61 1u8w h VAL 80 CO 0.35 0.03 -0.19 0.58 -1.01 0.00 0.00 177.57 177.33 1u8w h VAL 81 N 0.16 0.39 -0.29 1.51 2.07 -1.86 -0.01 116.25 118.21 1u8w h VAL 81 Ca 0.45 -0.63 0.03 0.00 0.82 0.00 0.00 66.70 67.38 1u8w h VAL 81 Cb 1.52 0.60 -0.03 0.00 -1.52 0.00 0.00 31.29 31.85 1u8w h VAL 81 CO -0.08 0.08 0.10 -0.07 0.02 0.00 0.00 177.57 177.62 1u8w h LEU 82 N -0.99 0.11 -0.49 2.57 4.07 -1.72 -0.43 115.31 118.43 1u8w h LEU 82 Ca -0.05 0.03 -0.02 0.00 0.08 0.00 0.00 57.88 57.92 1u8w h LEU 82 Cb 0.54 0.02 -0.02 0.00 1.08 0.00 0.00 40.66 42.28 1u8w h LEU 82 CO 0.09 0.10 0.24 0.74 -1.08 0.00 0.00 178.44 178.53 1u8w h THR 83 N 0.23 1.19 -0.52 0.22 2.02 -1.16 0.18 112.91 115.07 1u8w h THR 83 Ca 0.13 -0.51 0.09 0.00 0.77 0.00 0.00 66.41 66.89 1u8w h THR 83 Cb 0.10 0.63 -0.07 0.00 -1.74 0.00 0.00 68.15 67.06 1u8w h THR 83 CO -0.13 0.20 0.09 1.23 0.37 0.00 0.00 175.52 177.28 1u8w h GLY 84 N 0.64 0.63 1.02 2.16 0.00 -0.41 1.11 103.07 108.22 1u8w h GLY 84 Ca 0.17 -0.01 -0.05 0.00 0.00 0.00 0.00 47.33 47.44 1u8w h GLY 84 CO -0.02 -0.09 0.22 3.21 0.00 0.00 0.00 176.54 179.87 1u8w h ARG 85 N 0.23 1.01 -0.60 4.80 3.08 -0.48 -1.39 114.38 121.03 1u8w h ARG 85 Ca 0.26 -0.21 -0.05 0.00 0.07 0.00 0.00 59.98 60.05 1u8w h ARG 85 Cb 0.37 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.24 1u8w h ARG 85 CO -0.35 0.87 0.17 -0.22 -1.07 0.00 0.00 179.97 179.37 1u8w h LYS 86 N 0.95 0.94 -0.59 0.04 3.64 0.17 -0.87 116.57 120.85 1u8w h LYS 86 Ca 0.22 -0.21 -0.06 0.00 -1.27 0.00 0.00 60.65 59.32 1u8w h LYS 86 Cb 0.27 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 31.93 1u8w h LYS 86 CO -0.01 0.85 0.13 0.82 -2.27 0.00 0.00 179.45 178.96 1u8w h ILE 87 N 0.85 1.24 -0.36 2.00 2.04 0.14 -2.88 117.51 120.55 1u8w h ILE 87 Ca 0.19 -0.89 -0.14 0.00 1.00 0.00 0.00 64.86 65.02 1u8w h ILE 87 Cb 0.31 0.65 -0.01 0.00 -0.74 0.00 0.00 36.82 37.04 1u8w h ILE 87 CO -0.00 0.33 -0.33 0.40 0.00 0.00 0.00 178.15 178.56 1u8w h ILE 88 N 0.88 1.28 0.00 -0.67 2.04 -0.96 -1.51 117.51 118.56 1u8w h ILE 88 Ca 0.19 -1.48 0.00 0.00 1.00 0.00 0.00 64.86 64.57 1u8w h ILE 88 Cb 0.34 1.35 0.00 0.00 -0.74 0.00 0.00 36.82 37.77 1u8w h ILE 88 CO 0.00 0.49 0.00 0.61 0.00 0.00 0.00 178.15 179.25 1u8w n GLY 89 N -0.04 -0.29 3.71 5.37 0.00 -0.36 -1.57 105.19 112.01 1u8w n GLY 89 Ca -0.01 -1.86 -0.34 0.00 0.00 0.00 0.00 46.02 43.81 1u8w n GLY 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u8w s ALA 90 N -1.11 2.01 0.09 4.61 0.00 -1.26 -4.89 121.76 121.20 1u8w s ALA 90 Ca 0.00 0.96 -0.28 0.00 0.00 0.00 0.00 51.96 52.64 1u8w s ALA 90 Cb 0.00 -3.51 -0.13 0.00 0.00 0.00 0.00 23.12 19.48 1u8w s ALA 90 CO 0.00 -2.08 1.66 1.15 0.00 0.00 0.00 175.76 176.49 1u8w h THR 91 N -0.45 0.53 -3.27 0.00 2.02 -1.96 -3.39 112.91 106.39 1u8w h THR 91 Ca -0.48 0.00 -0.57 0.00 0.77 0.00 0.00 66.41 66.13 1u8w h THR 91 Cb 1.31 0.53 -0.06 0.00 -1.74 0.00 0.00 68.15 68.19 1u8w h THR 91 CO 0.48 0.00 0.89 0.21 0.37 0.00 0.00 175.52 177.48 1u8w s ASN 92 N -4.77 6.83 0.21 4.18 3.84 -1.26 -4.79 114.94 119.18 1u8w s ASN 92 Ca -0.16 1.08 0.14 0.00 0.21 0.00 0.00 52.86 54.14 1u8w s ASN 92 Cb 0.06 -2.54 0.77 0.00 -0.55 0.00 0.00 41.25 38.99 1u8w s ASN 92 CO 0.64 -0.96 1.44 -2.65 -2.79 0.00 0.00 177.10 172.78 1u8w n PRO 93 N 7.07 0.09 0.16 0.43 -0.02 -1.26 -0.63 135.00 140.84 1u8w n PRO 93 Ca 0.13 0.59 0.12 0.00 -2.02 0.00 0.00 63.50 62.32 1u8w n PRO 93 Cb 0.47 -1.80 0.25 0.00 -0.02 0.00 0.00 33.50 32.40 1u8w n PRO 93 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1u8w h ALA 94 N 2.00 0.94 -0.00 3.55 0.00 -1.89 -3.28 119.26 120.58 1u8w h ALA 94 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1u8w h ALA 94 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1u8w h ALA 94 CO 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 179.25 179.08 1u8w n ALA 95 N -1.96 2.58 -2.21 0.00 0.00 0.20 -5.01 120.51 114.10 1u8w n ALA 95 Ca 0.04 -0.21 -0.42 0.00 0.00 0.00 0.00 53.44 52.85 1u8w n ALA 95 Cb 0.49 -0.17 -0.03 0.00 0.00 0.00 0.00 19.45 19.74 1u8w n ALA 95 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1u8w s SER 96 N -1.24 6.86 0.29 0.00 1.04 -0.73 -4.76 113.70 115.16 1u8w s SER 96 Ca 0.03 2.22 -0.29 0.00 0.48 0.00 0.00 55.95 58.38 1u8w s SER 96 Cb 0.04 -2.58 -0.10 0.00 0.10 0.00 0.00 66.02 63.48 1u8w s SER 96 CO 0.16 -0.65 1.21 -0.70 0.98 0.00 0.00 173.24 174.24 1u8w s GLU 97 N 1.55 4.49 0.30 4.02 2.56 -1.26 -4.35 118.70 126.00 1u8w s GLU 97 Ca 0.64 2.01 -0.29 0.00 0.00 0.00 0.00 54.97 57.32 1u8w s GLU 97 Cb -0.34 -3.14 -0.11 0.00 2.00 0.00 0.00 34.13 32.54 1u8w s GLU 97 CO 0.29 -0.01 1.49 -2.14 -0.56 0.00 0.00 175.26 174.33 1u8w s PRO 98 N -1.45 4.20 0.00 4.30 0.02 -1.26 -1.75 135.00 139.05 1u8w s PRO 98 Ca 0.48 2.44 0.00 0.00 0.02 0.00 0.00 61.00 63.93 1u8w s PRO 98 Cb -0.36 -3.05 0.00 0.00 0.02 0.00 0.00 34.50 31.11 1u8w s PRO 98 CO 0.46 -0.49 0.00 0.41 -0.33 0.00 0.00 177.00 177.05 1u8w n GLY 99 N 1.73 1.19 3.91 0.52 0.00 -1.26 -4.96 105.19 106.31 1u8w n GLY 99 Ca 0.05 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.79 1u8w n GLY 99 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1u8w s THR 100 N -1.49 4.99 0.20 2.61 -4.23 -0.71 -4.92 115.64 112.08 1u8w s THR 100 Ca 0.00 0.08 -0.11 0.00 -1.18 0.00 0.00 61.69 60.49 1u8w s THR 100 Cb 0.00 -3.77 0.12 0.00 1.34 0.00 0.00 72.50 70.19 1u8w s THR 100 CO 0.00 -0.45 1.79 0.40 -0.54 0.00 0.00 174.62 175.82 1u8w h ILE 101 N 1.09 0.92 -0.32 2.99 2.04 -1.33 0.20 117.51 123.10 1u8w h ILE 101 Ca -0.48 -0.19 -0.18 0.00 1.00 0.00 0.00 64.86 65.01 1u8w h ILE 101 Cb 1.20 0.31 -0.00 0.00 -0.74 0.00 0.00 36.82 37.58 1u8w h ILE 101 CO 0.64 0.10 -0.49 0.03 0.00 0.00 0.00 178.15 178.44 1u8w h ARG 102 N 0.57 0.88 -0.05 2.37 3.08 -1.54 -0.45 114.38 119.24 1u8w h ARG 102 Ca 0.28 -0.53 -0.05 0.00 0.07 0.00 0.00 59.98 59.74 1u8w h ARG 102 Cb 0.21 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.30 1u8w h ARG 102 CO -0.20 1.17 -0.22 0.78 -1.07 0.00 0.00 179.97 180.43 1u8w h GLY 103 N 0.74 0.09 1.16 0.04 0.00 -1.49 0.22 103.07 103.83 1u8w h GLY 103 Ca 0.03 -0.06 -0.29 0.00 0.00 0.00 0.00 47.33 47.01 1u8w h GLY 103 CO 0.11 0.06 -1.59 -0.55 0.00 0.00 0.00 176.54 174.57 1u8w h ASP 104 N 0.08 0.10 0.00 0.19 3.32 -0.52 -3.41 116.42 116.18 1u8w h ASP 104 Ca 0.01 -0.18 0.00 0.00 0.02 0.00 0.00 57.03 56.88 1u8w h ASP 104 Cb 0.44 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.96 1u8w h ASP 104 CO 0.03 1.16 -0.46 0.49 -1.72 0.00 0.00 179.24 178.74 1u8w n PHE 105 N -3.21 0.00 -3.98 4.55 3.01 -0.19 -5.08 117.46 112.57 1u8w n PHE 105 Ca -0.15 0.00 -0.31 0.00 1.01 0.00 0.00 57.45 57.99 1u8w n PHE 105 Cb 1.03 0.00 -0.05 0.00 -0.01 0.00 0.00 39.48 40.45 1u8w n PHE 105 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1u8w s ALA 106 N -1.32 3.81 0.05 4.37 0.00 0.76 -5.00 121.76 124.44 1u8w s ALA 106 Ca 0.00 -0.89 0.00 0.00 0.00 0.00 0.00 51.96 51.07 1u8w s ALA 106 Cb 0.00 -1.68 0.00 0.00 0.00 0.00 0.00 23.12 21.44 1u8w s ALA 106 CO 0.00 0.78 0.00 -0.89 0.00 0.00 0.00 175.76 175.65 1u8w n ILE 107 N 0.49 0.40 -3.41 0.00 5.41 -1.26 -4.76 119.36 116.24 1u8w n ILE 107 Ca -0.08 0.13 -0.38 0.00 1.00 0.00 0.00 62.75 63.43 1u8w n ILE 107 Cb 0.51 -1.36 -0.06 0.00 -0.71 0.00 0.00 39.64 38.03 1u8w n ILE 107 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1u8w s ASP 108 N -5.32 6.82 0.38 4.38 -1.08 -1.26 -4.42 116.67 116.18 1u8w s ASP 108 Ca 0.00 0.98 0.06 0.00 -0.52 0.00 0.00 52.55 53.07 1u8w s ASP 108 Cb 0.00 -2.28 0.79 0.00 -1.46 0.00 0.00 42.92 39.97 1u8w s ASP 108 CO 0.00 0.23 2.01 0.40 0.52 0.00 0.00 175.17 178.33 1u8w h ILE 109 N 3.95 1.07 -0.03 4.11 2.04 -1.98 -0.77 117.51 125.91 1u8w h ILE 109 Ca -0.48 -0.23 0.00 0.00 1.00 0.00 0.00 64.86 65.15 1u8w h ILE 109 Cb 1.21 0.34 0.00 0.00 -0.74 0.00 0.00 36.82 37.63 1u8w h ILE 109 CO 0.66 0.12 0.00 0.61 0.00 0.00 0.00 178.15 179.54 1u8w n GLY 110 N -1.46 -0.78 2.37 5.37 0.00 -1.26 -3.63 105.19 105.80 1u8w n GLY 110 Ca 0.07 -0.17 -0.15 0.00 0.00 0.00 0.00 46.02 45.77 1u8w n GLY 110 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u8w n ARG 111 N -0.60 1.02 0.00 1.61 5.12 -0.31 -4.95 116.66 118.55 1u8w n ARG 111 Ca 0.15 -3.20 0.04 0.00 -1.93 0.00 0.00 57.85 52.91 1u8w n ARG 111 Cb 0.11 -1.49 0.23 0.00 -1.16 0.00 0.00 32.46 30.15 1u8w n ARG 111 CO 0.00 0.00 0.00 0.27 -1.93 0.00 0.00 177.63 175.97 1u8w n ASN 112 N 0.17 0.00 0.00 0.55 6.94 -1.15 -4.46 115.26 117.31 1u8w n ASN 112 Ca 0.19 -1.39 0.00 0.00 -0.02 0.00 0.00 54.58 53.36 1u8w n ASN 112 Cb 0.71 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 38.13 1u8w n ASN 112 CO 0.00 0.00 0.00 0.52 -1.03 0.00 0.00 177.26 176.75 1u8w n VAL 113 N -0.65 0.00 -3.78 3.53 0.31 -1.26 -4.83 118.33 111.65 1u8w n VAL 113 Ca 0.06 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.29 1u8w n VAL 113 Cb 0.03 0.00 -0.05 0.00 -0.91 0.00 0.00 33.84 32.90 1u8w n VAL 113 CO 0.00 0.00 0.00 -0.51 -1.32 0.00 0.00 176.83 175.00 1u8w s ILE 114 N 0.00 0.07 0.05 2.52 2.07 -1.26 -1.37 121.20 123.29 1u8w s ILE 114 Ca 0.00 -0.94 0.06 0.00 -1.41 0.00 0.00 60.65 58.36 1u8w s ILE 114 Cb 0.00 -1.47 -0.03 0.00 0.13 0.00 0.00 42.46 41.10 1u8w s ILE 114 CO 0.00 -0.32 -0.16 -2.28 -1.91 0.00 0.00 174.94 170.26 1u8w s HIS 115 N -3.87 1.41 -0.05 3.50 5.65 0.15 -4.86 115.29 117.22 1u8w s HIS 115 Ca 0.08 -0.38 -0.05 0.00 0.25 0.00 0.00 55.06 54.96 1u8w s HIS 115 Cb 0.02 -0.82 0.01 0.00 -1.18 0.00 0.00 32.58 30.61 1u8w s HIS 115 CO -0.07 0.07 0.13 0.20 -0.65 0.00 0.00 174.74 174.43 1u8w s GLY 116 N -1.35 -0.10 0.15 1.59 0.00 -1.26 -1.02 107.32 105.33 1u8w s GLY 116 Ca 0.03 0.37 -0.34 0.00 0.00 0.00 0.00 44.72 44.78 1u8w s GLY 116 CO 0.02 0.32 1.61 1.44 0.00 0.00 0.00 173.10 176.49 1u8w n SER 117 N 3.02 3.19 0.09 1.64 7.64 -0.57 -4.87 113.62 123.75 1u8w n SER 117 Ca -0.12 1.07 0.13 0.00 1.01 0.00 0.00 58.87 60.96 1u8w n SER 117 Cb 0.59 -1.43 0.33 0.00 -1.01 0.00 0.00 64.21 62.69 1u8w n SER 117 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1u8w n ASP 118 N 3.67 0.75 -3.81 6.43 3.85 -1.26 -4.75 116.55 121.42 1u8w n ASP 118 Ca 0.17 0.41 -0.09 0.00 -0.71 0.00 0.00 54.79 54.57 1u8w n ASP 118 Cb 0.29 -0.46 -0.06 0.00 -1.35 0.00 0.00 41.12 39.54 1u8w n ASP 118 CO 0.00 0.00 0.00 -0.94 -1.01 0.00 0.00 177.20 175.25 1u8w s SER 119 N -4.36 -0.04 0.28 -1.12 1.04 -1.26 -4.98 113.70 103.25 1u8w s SER 119 Ca 0.09 -0.60 -0.02 0.00 0.48 0.00 0.00 55.95 55.90 1u8w s SER 119 Cb 0.13 0.43 0.38 0.00 0.10 0.00 0.00 66.02 67.06 1u8w s SER 119 CO 0.64 -0.85 1.87 0.58 0.98 0.00 0.00 173.24 176.46 1u8w h VAL 120 N 2.52 1.22 -0.28 5.02 2.07 -1.94 -1.08 116.25 123.78 1u8w h VAL 120 Ca -0.33 -0.67 -0.01 0.00 0.82 0.00 0.00 66.70 66.51 1u8w h VAL 120 Cb 1.23 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 31.38 1u8w h VAL 120 CO 0.49 0.28 0.13 1.05 0.02 0.00 0.00 177.57 179.54 1u8w h GLU 121 N 0.96 0.41 0.00 1.57 4.11 -1.98 -2.17 114.58 117.49 1u8w h GLU 121 Ca 0.23 -0.06 -0.03 0.00 0.07 0.00 0.00 59.36 59.57 1u8w h GLU 121 Cb 0.14 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.32 1u8w h GLU 121 CO -0.03 0.39 -0.13 0.66 0.07 0.00 0.00 179.01 179.98 1u8w h SER 122 N 0.32 0.00 0.56 3.06 4.64 -1.90 -3.01 113.55 117.22 1u8w h SER 122 Ca 0.10 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.39 1u8w h SER 122 Cb 0.12 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.22 1u8w h SER 122 CO -0.01 0.13 -0.27 0.00 -0.87 0.00 0.00 176.83 175.81 1u8w h ALA 123 N 1.87 -0.90 -1.01 5.18 0.00 -0.59 0.11 119.26 123.91 1u8w h ALA 123 Ca -0.00 -0.16 0.24 0.00 0.00 0.00 0.00 54.91 54.99 1u8w h ALA 123 Cb 0.63 0.29 -0.11 0.00 0.00 0.00 0.00 17.79 18.61 1u8w h ALA 123 CO 0.02 -0.85 0.63 0.00 0.00 0.00 0.00 179.25 179.05 1u8w h ARG 124 N -0.99 0.52 -0.10 0.00 3.08 -1.45 0.15 114.38 115.59 1u8w h ARG 124 Ca -0.08 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 59.93 1u8w h ARG 124 Cb 0.58 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.51 1u8w h ARG 124 CO 0.13 0.34 0.00 0.87 -1.07 0.00 0.00 179.97 180.24 1u8w h LYS 125 N 0.53 0.17 -0.19 0.04 1.57 -1.45 -2.55 116.57 114.69 1u8w h LYS 125 Ca 0.60 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 59.32 1u8w h LYS 125 Cb 1.27 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.56 1u8w h LYS 125 CO -0.37 0.42 0.06 0.93 -0.57 0.00 0.00 179.45 179.91 1u8w h GLU 126 N -0.10 0.30 0.00 3.15 5.08 0.13 -2.20 114.58 120.95 1u8w h GLU 126 Ca 0.03 -0.07 -0.08 0.00 -1.00 0.00 0.00 59.36 58.24 1u8w h GLU 126 Cb 0.34 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 1u8w h GLU 126 CO 0.00 0.41 -0.38 -0.84 -1.00 0.00 0.00 179.01 177.20 1u8w h ILE 127 N 0.14 1.22 -0.47 3.13 -0.00 -0.95 -0.54 117.51 120.04 1u8w h ILE 127 Ca 0.06 -1.32 -0.12 0.00 -0.00 0.00 0.00 64.86 63.48 1u8w h ILE 127 Cb 0.23 1.72 -0.01 0.00 -0.00 0.00 0.00 36.82 38.76 1u8w h ILE 127 CO -0.00 0.37 -0.17 0.00 -0.00 0.00 0.00 178.15 178.35 1u8w h ALA 128 N 1.62 0.65 -0.07 0.16 0.00 -1.34 0.15 119.26 120.43 1u8w h ALA 128 Ca -0.00 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.52 1u8w h ALA 128 Cb 0.69 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 1u8w h ALA 128 CO 0.05 0.60 -0.05 1.25 0.00 0.00 0.00 179.25 181.10 1u8w h LEU 129 N 0.78 0.16 -0.09 0.00 5.85 -0.87 -3.22 115.31 117.93 1u8w h LEU 129 Ca 0.11 -0.45 -0.21 0.00 0.84 0.00 0.00 57.88 58.17 1u8w h LEU 129 Cb 0.73 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.70 1u8w h LEU 129 CO 0.06 0.58 -0.99 -0.50 -0.34 0.00 0.00 178.44 177.25 1u8w h TRP 130 N -0.25 0.12 -2.99 1.25 4.06 -1.15 -3.39 115.95 113.60 1u8w h TRP 130 Ca 0.01 -0.08 -0.62 0.00 2.06 0.00 0.00 58.89 60.27 1u8w h TRP 130 Cb 0.52 -0.01 -0.41 0.00 -1.00 0.00 0.00 29.16 28.26 1u8w h TRP 130 CO 0.08 1.01 -0.66 -0.06 -3.56 0.00 0.00 178.44 175.25 1u8w s PHE 131 N -2.85 2.99 0.18 0.49 0.40 0.53 -4.96 117.98 114.77 1u8w s PHE 131 Ca -0.00 -3.08 -0.13 0.00 -0.60 0.00 0.00 56.93 53.11 1u8w s PHE 131 Cb 0.10 -2.36 0.13 0.00 0.51 0.00 0.00 43.02 41.39 1u8w s PHE 131 CO 0.83 -0.63 1.79 -1.35 0.70 0.00 0.00 175.22 176.56 1u8w h PRO 132 N 5.67 0.52 0.00 0.24 0.11 -1.75 -2.60 132.00 134.19 1u8w h PRO 132 Ca 0.13 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.21 1u8w h PRO 132 Cb 0.81 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.80 1u8w h PRO 132 CO 0.64 0.35 0.00 -0.25 -0.21 0.00 0.00 178.00 178.53 1u8w n ASP 133 N -4.85 0.00 -0.24 -2.05 10.43 -1.26 -4.98 116.55 113.59 1u8w n ASP 133 Ca 0.04 -1.15 0.02 0.00 2.57 0.00 0.00 54.79 56.28 1u8w n ASP 133 Cb 0.12 0.00 -0.01 0.00 1.84 0.00 0.00 41.12 43.07 1u8w n ASP 133 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1u8w n GLY 134 N 0.11 -2.10 3.89 0.44 0.00 -0.98 -4.97 105.19 101.59 1u8w n GLY 134 Ca 0.01 -1.43 -0.29 0.00 0.00 0.00 0.00 46.02 44.31 1u8w n GLY 134 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1u8w s PRO 135 N -0.82 3.40 -0.27 1.61 0.04 -1.26 -4.99 135.00 132.72 1u8w s PRO 135 Ca 0.00 0.41 -0.16 0.00 0.04 0.00 0.00 61.00 61.29 1u8w s PRO 135 Cb 0.00 -2.21 -0.03 0.00 0.04 0.00 0.00 34.50 32.30 1u8w s PRO 135 CO 0.00 -0.50 0.41 0.08 0.04 0.00 0.00 177.00 177.03 1u8w s VAL 136 N -3.01 5.14 -0.01 -0.36 1.01 -0.17 -5.05 120.40 117.96 1u8w s VAL 136 Ca 0.52 0.66 -0.14 0.00 0.00 0.00 0.00 61.98 63.02 1u8w s VAL 136 Cb -0.11 -3.74 -0.06 0.00 0.00 0.00 0.00 36.38 32.48 1u8w s VAL 136 CO 0.49 0.14 0.39 0.20 0.00 0.00 0.00 175.10 176.32 1u8w s ASN 137 N 1.60 6.77 0.09 3.32 0.01 -1.26 -4.60 114.94 120.87 1u8w s ASN 137 Ca 0.17 0.92 -0.26 0.00 -0.71 0.00 0.00 52.86 52.98 1u8w s ASN 137 Cb -0.16 -2.24 0.08 0.00 0.41 0.00 0.00 41.25 39.35 1u8w s ASN 137 CO 0.10 0.33 0.81 -1.66 -1.51 0.00 0.00 177.10 175.16 1u8w s TRP 138 N -1.05 -0.35 -0.25 2.20 1.48 -1.26 -5.15 118.94 114.56 1u8w s TRP 138 Ca 0.23 0.14 0.03 0.00 -1.06 0.00 0.00 56.10 55.44 1u8w s TRP 138 Cb -0.16 0.57 0.06 0.00 -1.16 0.00 0.00 33.47 32.78 1u8w s TRP 138 CO 0.13 -0.73 -0.12 -0.65 -4.06 0.00 0.00 176.95 171.52 1u8w s GLN 139 N -3.38 2.29 0.20 3.25 -0.21 -1.26 -5.09 119.66 115.46 1u8w s GLN 139 Ca 0.06 -1.29 -0.33 0.00 0.02 0.00 0.00 55.36 53.82 1u8w s GLN 139 Cb -0.01 -2.85 -0.14 0.00 1.00 0.00 0.00 33.01 31.01 1u8w s GLN 139 CO -0.07 -0.54 1.42 0.45 -2.12 0.00 0.00 175.29 174.43 1u8w n SER 140 N 4.46 2.58 0.26 5.90 2.88 -1.26 -4.84 113.62 123.60 1u8w n SER 140 Ca -0.15 1.12 0.16 0.00 -1.33 0.00 0.00 58.87 58.68 1u8w n SER 140 Cb 0.43 -1.38 0.58 0.00 -0.75 0.00 0.00 64.21 63.08 1u8w n SER 140 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 1u8w h SER 141 N 4.60 0.00 -0.41 -3.46 4.64 -2.04 -2.68 113.55 114.20 1u8w h SER 141 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1u8w h SER 141 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 1u8w h SER 141 CO 0.79 0.00 0.00 1.33 -0.87 0.00 0.00 176.83 178.08 1u8w n VAL 142 N -3.07 1.24 -0.11 0.95 0.24 -1.26 -4.46 118.33 111.86 1u8w n VAL 142 Ca 0.01 -0.77 -0.05 0.00 -2.04 0.00 0.00 64.34 61.49 1u8w n VAL 142 Cb 0.35 -0.06 0.02 0.00 -1.47 0.00 0.00 33.84 32.68 1u8w n VAL 142 CO 0.00 0.00 0.00 -0.74 -2.14 0.00 0.00 176.83 173.95 1u8w h HIS 143 N 2.62 0.08 0.00 6.34 6.17 -1.85 -1.54 115.15 126.97 1u8w h HIS 143 Ca 0.00 0.02 0.00 0.00 0.71 0.00 0.00 60.37 61.10 1u8w h HIS 143 Cb 1.07 0.02 0.00 0.00 2.52 0.00 0.00 27.41 31.02 1u8w h HIS 143 CO 0.52 -0.01 0.04 -1.00 0.71 0.00 0.00 177.93 178.20 1u8w h PRO 144 N 0.17 0.00 0.00 5.26 0.13 -1.81 -0.64 132.00 135.11 1u8w h PRO 144 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 1u8w h PRO 144 Cb 0.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.35 1u8w h PRO 144 CO -0.25 0.00 -0.90 0.91 -0.23 0.00 0.00 178.00 177.53 1u8w n TRP 145 N -2.31 0.00 -0.10 1.56 7.02 -0.61 -4.38 117.44 118.61 1u8w n TRP 145 Ca -0.02 0.00 -0.11 0.00 -1.02 0.00 0.00 57.50 56.35 1u8w n TRP 145 Cb 0.08 -0.00 -0.15 0.00 -2.42 0.00 0.00 31.31 28.82 1u8w n TRP 145 CO 0.00 0.00 0.00 0.28 -2.02 0.00 0.00 177.69 175.95 1u8w n VAL 146 N -1.45 1.39 -4.98 -0.99 0.31 -0.42 -4.97 118.33 107.22 1u8w n VAL 146 Ca 0.04 -0.79 -0.28 0.00 -0.01 0.00 0.00 64.34 63.29 1u8w n VAL 146 Cb 0.30 -0.65 -0.15 0.00 -0.91 0.00 0.00 33.84 32.42 1u8w n VAL 146 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 1u8w s TYR 147 N -2.49 2.08 0.28 3.52 1.51 -0.38 -5.11 117.35 116.76 1u8w s TYR 147 Ca -0.15 -0.39 -0.20 0.00 -1.01 0.00 0.00 57.07 55.32 1u8w s TYR 147 Cb 0.07 -1.29 -0.09 0.00 -0.11 0.00 0.00 41.96 40.53 1u8w s TYR 147 CO 0.77 0.03 0.79 -2.00 -1.11 0.00 0.00 175.55 174.03 1u8w s GLU 148 N -0.86 4.26 0.00 -0.62 2.12 -1.26 -4.59 118.70 117.75 1u8w s GLU 148 Ca 0.09 0.93 0.00 0.00 0.36 0.00 0.00 54.97 56.36 1u8w s GLU 148 Cb -0.09 -2.71 0.00 0.00 0.26 0.00 0.00 34.13 31.59 1u8w s GLU 148 CO 0.00 0.29 0.00 2.41 -0.54 0.00 0.00 175.26 177.42