#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 1.26 -4.29 2.12 2.13 -1.26 -4.71 120.64 115.89 1u8w n GLU 2 Ca 0.00 0.45 -0.18 0.00 0.66 0.00 0.00 57.16 58.09 1u8w n GLU 2 Cb 0.00 -1.90 -0.10 0.00 0.27 0.00 0.00 31.44 29.70 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 -1.79 1.18 0.13 5.31 -0.21 -1.26 -1.67 119.66 121.35 1u8w s GLN 3 Ca 0.61 -1.45 -0.05 0.00 0.02 0.00 0.00 55.36 54.50 1u8w s GLN 3 Cb -0.62 -0.96 -0.02 0.00 1.00 0.00 0.00 33.01 32.41 1u8w s GLN 3 CO 0.58 0.16 0.14 -0.08 -2.12 0.00 0.00 175.29 173.98 1u8w s THR 4 N -2.75 0.11 -0.20 -0.19 -1.32 -0.15 -4.72 115.64 106.42 1u8w s THR 4 Ca 0.17 -1.63 -0.03 0.00 -1.21 0.00 0.00 61.69 58.99 1u8w s THR 4 Cb -0.02 -1.83 -0.01 0.00 -1.51 0.00 0.00 72.50 69.14 1u8w s THR 4 CO 0.04 -0.49 -0.07 0.12 -2.21 0.00 0.00 174.62 172.01 1u8w s PHE 5 N -3.98 2.92 -0.02 9.09 5.36 -1.26 -2.07 117.98 128.02 1u8w s PHE 5 Ca 0.17 -0.91 0.08 0.00 -0.96 0.00 0.00 56.93 55.32 1u8w s PHE 5 Cb 0.06 -2.03 -0.02 0.00 -0.34 0.00 0.00 43.02 40.69 1u8w s PHE 5 CO -0.02 -0.48 -0.25 0.42 -1.46 0.00 0.00 175.22 173.43 1u8w s ILE 6 N 1.18 2.13 -0.05 3.12 1.09 -1.03 -1.16 121.20 126.48 1u8w s ILE 6 Ca 0.02 -1.11 -0.01 0.00 -1.10 0.00 0.00 60.65 58.45 1u8w s ILE 6 Cb -0.14 -1.75 0.03 0.00 -1.06 0.00 0.00 42.46 39.53 1u8w s ILE 6 CO -0.02 0.56 0.01 -0.32 -0.10 0.00 0.00 174.94 175.07 1u8w s MET 7 N -0.68 0.38 -0.15 2.79 -2.45 0.35 -0.68 119.30 118.87 1u8w s MET 7 Ca 0.10 0.13 -0.26 0.00 -1.25 0.00 0.00 55.69 54.42 1u8w s MET 7 Cb -0.10 -0.69 -0.02 0.00 1.25 0.00 0.00 34.83 35.27 1u8w s MET 7 CO -0.01 -0.23 0.85 0.42 1.05 0.00 0.00 175.02 177.11 1u8w s ILE 8 N 1.57 4.87 0.91 10.11 1.01 0.56 -0.79 121.20 139.45 1u8w s ILE 8 Ca -0.02 1.69 -0.12 0.00 0.00 0.00 0.00 60.65 62.21 1u8w s ILE 8 Cb -0.13 -4.16 0.13 0.00 0.01 0.00 0.00 42.46 38.31 1u8w s ILE 8 CO -0.03 0.04 1.12 -0.54 0.00 0.00 0.00 174.94 175.52 1u8w s LYS 9 N 2.04 1.19 0.33 2.79 1.02 0.10 -1.83 119.74 125.38 1u8w s LYS 9 Ca 0.40 0.45 0.08 0.00 0.02 0.00 0.00 55.97 56.92 1u8w s LYS 9 Cb -0.17 -1.83 0.80 0.00 -0.52 0.00 0.00 37.83 36.11 1u8w s LYS 9 CO 0.14 -2.20 1.80 -1.35 -0.92 0.00 0.00 175.35 172.82 1u8w h PRO 10 N -1.50 0.69 -0.14 -1.68 0.11 -1.81 -0.36 132.00 127.30 1u8w h PRO 10 Ca -0.51 -0.04 -0.10 0.00 0.11 0.00 0.00 66.00 65.47 1u8w h PRO 10 Cb 1.31 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 1u8w h PRO 10 CO 0.60 0.45 -0.34 0.38 -0.21 0.00 0.00 178.00 178.88 1u8w h ASP 11 N 0.71 0.28 -0.59 -2.05 2.03 -1.88 -0.67 116.42 114.24 1u8w h ASP 11 Ca 0.55 -0.10 -0.09 0.00 -0.73 0.00 0.00 57.03 56.66 1u8w h ASP 11 Cb 0.94 -0.08 -0.02 0.00 -0.83 0.00 0.00 39.33 39.34 1u8w h ASP 11 CO -0.33 0.61 0.01 1.23 -1.03 0.00 0.00 179.24 179.73 1u8w h GLY 12 N 1.11 1.13 0.92 7.15 0.00 -1.26 0.45 103.07 112.57 1u8w h GLY 12 Ca 0.03 -0.83 -0.10 0.00 0.00 0.00 0.00 47.33 46.44 1u8w h GLY 12 CO 0.05 0.76 -0.21 -2.08 0.00 0.00 0.00 176.54 175.07 1u8w h VAL 13 N 0.94 1.30 -0.76 4.60 2.07 -1.18 -0.87 116.25 122.36 1u8w h VAL 13 Ca 0.17 -1.35 -0.02 0.00 0.82 0.00 0.00 66.70 66.32 1u8w h VAL 13 Cb 0.55 1.57 -0.04 0.00 -1.52 0.00 0.00 31.29 31.85 1u8w h VAL 13 CO 0.03 0.43 0.37 1.56 0.02 0.00 0.00 177.57 179.98 1u8w h GLN 14 N 0.36 1.07 -0.16 1.57 1.08 -0.93 -2.36 115.11 115.75 1u8w h GLN 14 Ca 0.05 -0.14 0.00 0.00 -1.45 0.00 0.00 58.65 57.11 1u8w h GLN 14 Cb 0.75 -0.20 0.00 0.00 -0.05 0.00 0.00 27.48 27.98 1u8w h GLN 14 CO 0.06 0.82 0.00 0.54 -0.95 0.00 0.00 178.83 179.29 1u8w n ARG 15 N -4.33 1.41 -3.33 1.46 1.74 0.13 -4.91 116.66 108.83 1u8w n ARG 15 Ca 0.07 -0.63 -0.18 0.00 -0.77 0.00 0.00 57.85 56.35 1u8w n ARG 15 Cb 0.13 -1.20 0.07 0.00 -1.02 0.00 0.00 32.46 30.44 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 0.84 -0.29 0.91 -0.13 0.00 -0.89 -4.94 105.19 100.69 1u8w n GLY 16 Ca 0.09 0.07 0.09 0.00 0.00 0.00 0.00 46.02 46.26 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 -4.03 3.18 0.21 0.99 4.77 -0.34 -4.72 117.00 117.06 1u8w n LEU 17 Ca -0.11 -1.74 -0.16 0.00 -0.03 0.00 0.00 56.01 53.96 1u8w n LEU 17 Cb 0.60 -0.27 -0.08 0.00 -2.33 0.00 0.00 43.42 41.34 1u8w n LEU 17 CO 0.54 0.75 0.58 0.40 -1.33 0.00 0.00 177.39 178.32 1u8w h ILE 18 N 3.21 0.13 -0.80 -0.08 2.04 -1.89 -2.44 117.51 117.67 1u8w h ILE 18 Ca 0.00 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.82 1u8w h ILE 18 Cb 0.82 0.13 -0.04 0.00 -0.74 0.00 0.00 36.82 37.00 1u8w h ILE 18 CO 0.00 0.00 0.35 1.23 0.00 0.00 0.00 178.15 179.73 1u8w h GLY 19 N -0.81 1.26 0.62 5.37 0.00 -1.97 -2.81 103.07 104.73 1u8w h GLY 19 Ca -0.02 -0.65 0.05 0.00 0.00 0.00 0.00 47.33 46.71 1u8w h GLY 19 CO -0.13 0.62 0.17 -2.09 0.00 0.00 0.00 176.54 175.11 1u8w h GLU 20 N 1.16 0.34 0.51 4.80 4.22 -1.85 0.58 114.58 124.33 1u8w h GLU 20 Ca 0.27 -0.02 -0.01 0.00 0.08 0.00 0.00 59.36 59.68 1u8w h GLU 20 Cb 0.17 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 1u8w h GLU 20 CO -0.03 0.23 -0.44 0.28 -2.18 0.00 0.00 179.01 176.87 1u8w h VAL 21 N 0.35 0.13 -0.93 0.32 2.07 -1.27 -2.19 116.25 114.73 1u8w h VAL 21 Ca 0.21 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.84 1u8w h VAL 21 Cb 0.19 0.13 -0.07 0.00 -1.52 0.00 0.00 31.29 30.01 1u8w h VAL 21 CO -0.20 0.00 0.60 0.40 0.02 0.00 0.00 177.57 178.39 1u8w h ILE 22 N -0.94 0.93 -0.34 4.57 2.04 -1.24 -1.14 117.51 121.38 1u8w h ILE 22 Ca -0.06 -0.30 0.03 0.00 1.00 0.00 0.00 64.86 65.53 1u8w h ILE 22 Cb 0.81 -0.04 -0.03 0.00 -0.74 0.00 0.00 36.82 36.82 1u8w h ILE 22 CO -0.02 0.16 0.16 0.00 0.00 0.00 0.00 178.15 178.45 1u8w h ARG 24 N 0.33 0.88 0.10 0.00 3.08 -0.58 0.20 114.38 118.39 1u8w h ARG 24 Ca 0.14 -0.05 -0.26 0.00 0.07 0.00 0.00 59.98 59.88 1u8w h ARG 24 Cb 0.07 -0.20 -0.00 0.00 0.08 0.00 0.00 29.97 29.92 1u8w h ARG 24 CO -0.11 0.58 -1.19 0.74 -1.07 0.00 0.00 179.97 178.92 1u8w h PHE 25 N 0.91 0.39 0.33 3.04 0.04 -1.31 -2.81 116.94 117.52 1u8w h PHE 25 Ca 0.30 -0.28 -0.02 0.00 2.80 0.00 0.00 57.97 60.78 1u8w h PHE 25 Cb 0.07 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.21 1u8w h PHE 25 CO -0.00 1.22 -0.16 0.93 -0.60 0.00 0.00 178.31 179.70 1u8w h GLU 26 N 0.06 -0.42 0.00 1.51 5.08 -0.25 -2.44 114.58 118.11 1u8w h GLU 26 Ca -0.11 0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1u8w h GLU 26 Cb 1.93 0.10 -0.00 0.00 0.50 0.00 0.00 28.75 31.27 1u8w h GLU 26 CO 0.19 -0.14 -0.01 0.87 -1.00 0.00 0.00 179.01 178.92 1u8w h LYS 27 N -0.69 0.00 0.00 2.33 1.57 -0.72 -0.68 116.57 118.38 1u8w h LYS 27 Ca -0.04 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.65 1u8w h LYS 27 Cb 0.48 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.78 1u8w h LYS 27 CO 0.07 0.01 -0.41 -0.22 -0.57 0.00 0.00 179.45 178.33 1u8w h LYS 28 N 0.00 0.00 0.00 3.15 1.63 -1.32 -3.47 116.57 116.56 1u8w h LYS 28 Ca -0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1u8w h LYS 28 Cb 0.08 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.71 1u8w h LYS 28 CO 0.00 0.41 0.00 0.41 -3.45 0.00 0.00 179.45 176.82 1u8w n GLY 29 N 0.43 0.90 3.81 5.01 0.00 -0.26 -5.10 105.19 109.98 1u8w n GLY 29 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 2.96 -0.18 1.61 0.08 -0.93 -4.99 117.98 114.52 1u8w s PHE 30 Ca 0.00 1.28 -0.03 0.00 0.12 0.00 0.00 56.93 58.30 1u8w s PHE 30 Cb 0.00 -3.01 -0.01 0.00 -0.57 0.00 0.00 43.02 39.43 1u8w s PHE 30 CO 0.00 -1.52 -0.07 0.99 -0.10 0.00 0.00 175.22 174.53 1u8w s THR 31 N -3.10 3.41 -0.11 0.64 2.01 -0.24 -4.62 115.64 113.63 1u8w s THR 31 Ca 0.59 -0.51 -0.30 0.00 0.31 0.00 0.00 61.69 61.79 1u8w s THR 31 Cb -0.14 -2.50 -0.02 0.00 0.01 0.00 0.00 72.50 69.85 1u8w s THR 31 CO 0.55 0.47 1.08 -0.22 -0.69 0.00 0.00 174.62 175.81 1u8w s LEU 32 N 0.90 4.24 0.00 4.42 2.96 -1.26 -0.63 118.68 129.30 1u8w s LEU 32 Ca -0.01 1.61 0.00 0.00 -0.22 0.00 0.00 54.13 55.51 1u8w s LEU 32 Cb -0.15 -3.55 0.00 0.00 0.50 0.00 0.00 46.19 42.99 1u8w s LEU 32 CO 0.01 -0.53 0.67 0.29 -1.32 0.00 0.00 176.35 175.47 1u8w n LYS 33 N 5.30 0.68 -3.64 1.98 4.76 0.41 -4.94 118.16 122.70 1u8w n LYS 33 Ca 0.10 -0.87 -0.05 0.00 -2.87 0.00 0.00 58.31 54.62 1u8w n LYS 33 Cb 0.47 -0.95 -0.07 0.00 -1.84 0.00 0.00 35.03 32.64 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 -0.40 -0.16 -0.26 0.72 0.00 -1.21 -0.38 107.32 105.63 1u8w s GLY 34 Ca 0.00 2.87 -0.04 0.00 0.00 0.00 0.00 44.72 47.55 1u8w s GLY 34 CO 0.00 2.33 0.48 -2.27 0.00 0.00 0.00 173.10 173.64 1u8w s LEU 35 N 1.05 -0.92 -0.07 0.66 2.96 -1.26 -1.42 118.68 119.68 1u8w s LEU 35 Ca -0.06 0.71 -0.07 0.00 -0.22 0.00 0.00 54.13 54.50 1u8w s LEU 35 Cb -0.04 1.61 0.02 0.00 0.50 0.00 0.00 46.19 48.28 1u8w s LEU 35 CO -0.13 -0.27 0.19 -1.59 -1.32 0.00 0.00 176.35 173.23 1u8w s LYS 36 N 2.69 0.22 -0.24 1.98 -2.85 -0.66 -5.00 119.74 115.89 1u8w s LYS 36 Ca 0.11 0.25 -0.15 0.00 -1.00 0.00 0.00 55.97 55.18 1u8w s LYS 36 Cb -0.14 0.11 -0.04 0.00 -2.06 0.00 0.00 37.83 35.70 1u8w s LYS 36 CO -0.17 -0.03 0.37 -1.17 0.10 0.00 0.00 175.35 174.45 1u8w s LEU 37 N 0.08 4.10 0.05 2.77 0.20 -1.26 -0.59 118.68 124.03 1u8w s LEU 37 Ca -0.00 0.38 0.03 0.00 0.69 0.00 0.00 54.13 55.23 1u8w s LEU 37 Cb -0.01 -2.44 -0.03 0.00 -0.43 0.00 0.00 46.19 43.28 1u8w s LEU 37 CO 0.00 -0.11 -0.09 -0.63 -0.29 0.00 0.00 176.35 175.22 1u8w s ILE 38 N 1.63 0.71 -0.53 6.68 1.01 0.29 -4.95 121.20 126.04 1u8w s ILE 38 Ca 0.16 -1.19 -0.04 0.00 0.00 0.00 0.00 60.65 59.59 1u8w s ILE 38 Cb -0.15 -0.79 0.14 0.00 0.01 0.00 0.00 42.46 41.67 1u8w s ILE 38 CO 0.08 -0.36 0.34 -0.94 0.00 0.00 0.00 174.94 174.07 1u8w s SER 39 N -1.70 5.31 0.35 3.58 1.04 -1.26 -0.06 113.70 120.96 1u8w s SER 39 Ca -0.07 -2.45 -0.28 0.00 0.48 0.00 0.00 55.95 53.63 1u8w s SER 39 Cb -0.09 -1.86 -0.11 0.00 0.10 0.00 0.00 66.02 64.06 1u8w s SER 39 CO 0.01 -0.47 1.40 -0.69 0.98 0.00 0.00 173.24 174.47 1u8w s VAL 40 N 0.53 2.39 0.50 5.02 1.01 -1.26 -5.03 120.40 123.56 1u8w s VAL 40 Ca 0.13 0.39 -0.08 0.00 0.00 0.00 0.00 61.98 62.42 1u8w s VAL 40 Cb -0.22 -3.25 -0.04 0.00 0.00 0.00 0.00 36.38 32.87 1u8w s VAL 40 CO -0.04 0.09 0.84 -1.61 0.00 0.00 0.00 175.10 174.39 1u8w s GLU 41 N -1.89 3.61 0.14 2.72 0.41 -1.26 -4.74 118.70 117.69 1u8w s GLU 41 Ca 0.51 0.38 -0.19 0.00 -0.41 0.00 0.00 54.97 55.27 1u8w s GLU 41 Cb -0.43 -2.31 0.03 0.00 -1.78 0.00 0.00 34.13 29.64 1u8w s GLU 41 CO 0.57 -0.25 1.69 -0.09 -0.49 0.00 0.00 175.26 176.69 1u8w h ARG 42 N 0.31 0.01 -0.57 1.61 9.65 -1.96 -1.17 114.38 122.25 1u8w h ARG 42 Ca -0.46 -0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.40 1u8w h ARG 42 Cb 1.20 -0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 29.75 1u8w h ARG 42 CO 0.62 0.01 0.31 0.66 2.80 0.00 0.00 179.97 184.37 1u8w h SER 43 N 0.01 0.72 -0.68 -3.80 4.64 -1.99 -1.58 113.55 110.88 1u8w h SER 43 Ca 0.14 -0.10 -0.04 0.00 -0.47 0.00 0.00 61.79 61.32 1u8w h SER 43 Cb 0.21 -0.18 -0.03 0.00 -0.31 0.00 0.00 62.40 62.08 1u8w h SER 43 CO -0.29 0.62 0.26 0.15 -0.87 0.00 0.00 176.83 176.70 1u8w h PHE 44 N 0.78 1.05 -0.14 4.77 3.57 -1.90 -2.03 116.94 123.04 1u8w h PHE 44 Ca 0.20 -0.08 0.02 0.00 3.53 0.00 0.00 57.97 61.64 1u8w h PHE 44 Cb 0.06 -0.31 -0.02 0.00 2.79 0.00 0.00 35.95 38.47 1u8w h PHE 44 CO -0.01 0.82 -0.00 0.00 -2.23 0.00 0.00 178.31 176.89 1u8w h ALA 45 N 1.12 0.12 -0.13 2.41 0.00 -0.89 -0.43 119.26 121.45 1u8w h ALA 45 Ca 0.23 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 1u8w h ALA 45 Cb 0.22 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1u8w h ALA 45 CO -0.02 -0.45 0.07 0.93 0.00 0.00 0.00 179.25 179.78 1u8w h GLU 46 N 0.04 0.18 -0.01 0.00 5.08 -1.06 -1.65 114.58 117.15 1u8w h GLU 46 Ca 0.06 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1u8w h GLU 46 Cb 0.08 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.29 1u8w h GLU 46 CO -0.11 0.14 -0.01 0.87 -1.00 0.00 0.00 179.01 178.89 1u8w h LYS 47 N 0.18 0.03 -0.61 2.33 1.57 -0.58 -1.40 116.57 118.10 1u8w h LYS 47 Ca 0.05 -0.01 0.06 0.00 -1.87 0.00 0.00 60.65 58.88 1u8w h LYS 47 Cb 0.01 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.29 1u8w h LYS 47 CO -0.01 0.49 0.41 1.25 -0.57 0.00 0.00 179.45 181.02 1u8w h HIS 48 N -0.43 0.60 -0.53 -1.35 2.76 -0.60 -0.38 115.15 115.22 1u8w h HIS 48 Ca 0.00 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.19 1u8w h HIS 48 Cb 0.48 -0.20 0.00 0.00 1.55 0.00 0.00 27.41 29.25 1u8w h HIS 48 CO 0.09 0.32 0.00 0.66 -1.30 0.00 0.00 177.93 177.70 1u8w n TYR 49 N -4.48 1.86 -0.12 5.26 4.01 -0.67 -4.68 117.16 118.35 1u8w n TYR 49 Ca 0.09 -0.74 -0.11 0.00 -0.16 0.00 0.00 57.90 56.98 1u8w n TYR 49 Cb 0.24 -0.46 -0.06 0.00 -0.31 0.00 0.00 39.34 38.75 1u8w n TYR 49 CO 0.00 0.00 0.00 0.93 -0.46 0.00 0.00 176.86 177.33 1u8w h GLU 50 N 3.67 -0.34 0.00 -0.72 5.08 0.11 -0.05 114.58 122.32 1u8w h GLU 50 Ca 0.00 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1u8w h GLU 50 Cb 1.86 0.08 0.00 0.00 0.50 0.00 0.00 28.75 31.19 1u8w h GLU 50 CO 0.43 -0.23 0.14 -0.40 -1.00 0.00 0.00 179.01 177.95 1u8w n ASP 51 N -5.41 0.00 -0.02 1.42 5.75 -1.26 -0.49 116.55 116.54 1u8w n ASP 51 Ca -0.01 0.14 0.01 0.00 -0.01 0.00 0.00 54.79 54.92 1u8w n ASP 51 Cb 0.35 -0.14 0.01 0.00 -1.03 0.00 0.00 41.12 40.31 1u8w n ASP 51 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1u8w n LEU 52 N -1.04 1.50 -0.04 -2.12 4.77 -0.04 -4.88 117.00 115.15 1u8w n LEU 52 Ca 0.00 -1.58 0.23 0.00 -0.03 0.00 0.00 56.01 54.62 1u8w n LEU 52 Cb 0.14 -0.03 0.71 0.00 -2.33 0.00 0.00 43.42 41.91 1u8w n LEU 52 CO 0.00 0.39 1.21 0.77 -1.33 0.00 0.00 177.39 178.43 1u8w h SER 53 N 0.00 0.00 0.14 -1.43 4.64 -0.68 -1.08 113.55 115.13 1u8w h SER 53 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1u8w h SER 53 Cb 0.68 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.77 1u8w h SER 53 CO 0.00 0.00 -0.28 -1.54 -0.87 0.00 0.00 176.83 174.14 1u8w n SER 54 N -4.21 1.41 -4.77 4.97 3.41 -1.26 -4.89 113.62 108.27 1u8w n SER 54 Ca 0.12 -1.15 -0.38 0.00 -0.26 0.00 0.00 58.87 57.20 1u8w n SER 54 Cb 0.72 0.21 -0.02 0.00 -0.26 0.00 0.00 64.21 64.85 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 -2.43 4.04 0.46 4.33 3.01 -0.41 -4.95 119.74 123.79 1u8w s LYS 55 Ca 0.24 1.75 0.16 0.00 -1.01 0.00 0.00 55.97 57.11 1u8w s LYS 55 Cb 0.19 -2.61 1.12 0.00 -1.01 0.00 0.00 37.83 35.52 1u8w s LYS 55 CO 0.51 -0.31 2.01 1.03 0.51 0.00 0.00 175.35 179.10 1u8w h SER 56 N 2.53 0.26 -0.60 2.83 0.87 -1.92 -2.53 113.55 114.99 1u8w h SER 56 Ca -0.49 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.08 1u8w h SER 56 Cb 1.23 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 63.14 1u8w h SER 56 CO 0.62 0.16 0.00 2.22 -0.53 0.00 0.00 176.83 179.30 1u8w n PHE 57 N -4.46 1.20 -0.18 2.24 1.16 -1.26 -4.56 117.46 111.60 1u8w n PHE 57 Ca 0.08 -0.50 -0.01 0.00 -1.87 0.00 0.00 57.45 55.15 1u8w n PHE 57 Cb 0.37 -0.16 0.08 0.00 -1.61 0.00 0.00 39.48 38.16 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 3.69 0.19 -0.34 2.97 3.57 -1.70 -1.62 116.94 123.69 1u8w h PHE 58 Ca 0.00 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.51 1u8w h PHE 58 Cb 1.19 -0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.91 1u8w h PHE 58 CO 0.61 -0.01 0.11 0.77 -2.23 0.00 0.00 178.31 177.57 1u8w h SER 59 N 0.26 0.44 -0.09 0.41 0.02 -1.84 -1.65 113.55 111.10 1u8w h SER 59 Ca 0.28 -0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 61.17 1u8w h SER 59 Cb 0.38 -0.11 -0.00 0.00 0.14 0.00 0.00 62.40 62.80 1u8w h SER 59 CO -0.35 0.43 0.02 1.23 -1.14 0.00 0.00 176.83 177.02 1u8w h GLY 60 N 0.67 0.16 0.58 -3.77 0.00 -1.64 0.30 103.07 99.37 1u8w h GLY 60 Ca 0.12 -0.10 0.04 0.00 0.00 0.00 0.00 47.33 47.39 1u8w h GLY 60 CO -0.01 0.09 -0.07 1.41 0.00 0.00 0.00 176.54 177.96 1u8w h LEU 61 N -0.05 -0.24 0.42 3.11 4.07 -0.90 0.15 115.31 121.87 1u8w h LEU 61 Ca 0.03 0.06 -0.02 0.00 0.08 0.00 0.00 57.88 58.03 1u8w h LEU 61 Cb 0.24 0.14 0.00 0.00 1.08 0.00 0.00 40.66 42.12 1u8w h LEU 61 CO -0.00 -0.10 -0.20 0.58 -1.08 0.00 0.00 178.44 177.64 1u8w h VAL 62 N -0.05 0.58 -0.92 1.22 2.07 -1.19 -1.21 116.25 116.76 1u8w h VAL 62 Ca 0.09 -0.14 0.14 0.00 0.82 0.00 0.00 66.70 67.61 1u8w h VAL 62 Cb 0.19 0.65 -0.08 0.00 -1.52 0.00 0.00 31.29 30.53 1u8w h VAL 62 CO -0.21 0.03 0.59 0.44 0.02 0.00 0.00 177.57 178.44 1u8w h ASP 63 N -0.65 0.74 0.44 0.57 3.32 -0.25 -2.78 116.42 117.82 1u8w h ASP 63 Ca -0.06 0.04 -0.02 0.00 0.02 0.00 0.00 57.03 57.01 1u8w h ASP 63 Cb 0.48 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.93 1u8w h ASP 63 CO 0.10 0.38 -0.21 0.22 -1.72 0.00 0.00 179.24 178.00 1u8w h TYR 64 N 0.79 -0.55 0.00 4.55 3.20 -0.29 -2.75 116.97 121.92 1u8w h TYR 64 Ca 0.46 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.32 1u8w h TYR 64 Cb 0.64 0.18 0.00 0.00 1.54 0.00 0.00 36.73 39.09 1u8w h TYR 64 CO -0.00 -0.27 0.00 0.44 -1.64 0.00 0.00 178.16 176.68 1u8w n ILE 65 N -5.18 1.04 1.00 1.81 -5.35 -0.49 -1.20 119.36 110.98 1u8w n ILE 65 Ca -0.09 0.26 0.10 0.00 -0.27 0.00 0.00 62.75 62.76 1u8w n ILE 65 Cb 0.27 -1.10 -0.08 0.00 -1.74 0.00 0.00 39.64 36.99 1u8w n ILE 65 CO 0.00 0.00 0.00 0.55 -1.76 0.00 0.00 176.55 175.34 1u8w n VAL 66 N -1.38 0.00 0.37 7.28 3.14 -1.05 -4.37 118.33 122.32 1u8w n VAL 66 Ca 0.04 -0.03 0.14 0.00 -2.96 0.00 0.00 64.34 61.53 1u8w n VAL 66 Cb 0.09 0.96 0.49 0.00 -1.06 0.00 0.00 33.84 34.32 1u8w n VAL 66 CO 0.00 0.00 0.00 0.77 -6.46 0.00 0.00 176.83 171.14 1u8w h SER 67 N 0.25 0.00 -4.79 6.55 4.64 -0.85 -3.46 113.55 115.89 1u8w h SER 67 Ca 0.00 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 61.37 1u8w h SER 67 Cb 0.53 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 62.48 1u8w h SER 67 CO 0.00 0.00 0.37 -0.83 -0.87 0.00 0.00 176.83 175.50 1u8w s GLY 68 N -3.86 -0.53 0.86 -0.77 0.00 -1.26 -5.12 107.32 96.64 1u8w s GLY 68 Ca 0.05 0.81 -0.12 0.00 0.00 0.00 0.00 44.72 45.45 1u8w s GLY 68 CO 0.52 0.28 1.01 -1.55 0.00 0.00 0.00 173.10 173.36 1u8w n PRO 69 N -0.28 -0.09 -4.36 2.90 -0.04 -1.26 -4.59 135.00 127.29 1u8w n PRO 69 Ca -0.12 0.04 -0.18 0.00 -0.04 0.00 0.00 63.50 63.20 1u8w n PRO 69 Cb 0.63 -2.28 -0.10 0.00 -0.04 0.00 0.00 33.50 31.71 1u8w n PRO 69 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1u8w s VAL 70 N -2.31 0.90 -0.25 0.52 -7.23 0.92 -3.92 120.40 109.03 1u8w s VAL 70 Ca 0.68 -2.01 0.01 0.00 -1.81 0.00 0.00 61.98 58.85 1u8w s VAL 70 Cb -0.26 -2.59 0.05 0.00 0.56 0.00 0.00 36.38 34.13 1u8w s VAL 70 CO 0.56 -0.11 -0.10 -0.69 -0.31 0.00 0.00 175.10 174.46 1u8w s VAL 71 N -3.51 2.41 -0.03 1.32 1.01 -0.76 -0.55 120.40 120.28 1u8w s VAL 71 Ca 0.34 -1.37 -0.13 0.00 0.00 0.00 0.00 61.98 60.82 1u8w s VAL 71 Cb 0.07 -2.31 -0.05 0.00 0.00 0.00 0.00 36.38 34.09 1u8w s VAL 71 CO 0.13 0.09 0.35 0.00 0.00 0.00 0.00 175.10 175.67 1u8w s ALA 72 N 1.20 3.72 0.08 5.51 0.00 0.25 -0.32 121.76 132.20 1u8w s ALA 72 Ca -0.04 -0.31 -0.06 0.00 0.00 0.00 0.00 51.96 51.55 1u8w s ALA 72 Cb -0.18 -2.31 -0.01 0.00 0.00 0.00 0.00 23.12 20.61 1u8w s ALA 72 CO -0.06 0.48 0.12 -1.64 0.00 0.00 0.00 175.76 174.67 1u8w s MET 73 N -0.96 0.79 -0.10 0.00 -1.94 0.15 -1.65 119.30 115.60 1u8w s MET 73 Ca 0.22 -1.07 0.02 0.00 -1.71 0.00 0.00 55.69 53.15 1u8w s MET 73 Cb -0.16 0.30 0.01 0.00 2.01 0.00 0.00 34.83 37.00 1u8w s MET 73 CO 0.11 -0.23 -0.16 0.42 -0.01 0.00 0.00 175.02 175.15 1u8w s ILE 74 N -3.89 1.52 -0.01 2.53 1.01 -0.51 -2.47 121.20 119.38 1u8w s ILE 74 Ca 0.07 -0.67 0.07 0.00 0.00 0.00 0.00 60.65 60.11 1u8w s ILE 74 Cb 0.06 -1.37 -0.02 0.00 0.01 0.00 0.00 42.46 41.14 1u8w s ILE 74 CO -0.10 0.44 -0.21 0.26 0.00 0.00 0.00 174.94 175.33 1u8w s TRP 75 N 0.80 1.91 0.06 3.97 0.52 -0.88 -0.45 118.94 124.87 1u8w s TRP 75 Ca -0.10 -0.36 0.08 0.00 0.02 0.00 0.00 56.10 55.73 1u8w s TRP 75 Cb -0.16 -1.22 -0.03 0.00 -1.15 0.00 0.00 33.47 30.92 1u8w s TRP 75 CO 0.01 -0.02 -0.21 -2.00 0.02 0.00 0.00 176.95 174.76 1u8w s GLU 76 N -0.58 1.33 0.00 4.98 2.12 0.20 -0.98 118.70 125.78 1u8w s GLU 76 Ca 0.08 -0.99 0.00 0.00 0.36 0.00 0.00 54.97 54.42 1u8w s GLU 76 Cb -0.08 -1.48 0.00 0.00 0.26 0.00 0.00 34.13 32.82 1u8w s GLU 76 CO -0.01 0.37 0.00 0.41 -0.54 0.00 0.00 175.26 175.50 1u8w n GLY 77 N 1.68 2.79 3.73 -1.50 0.00 -0.67 -1.08 105.19 110.13 1u8w n GLY 77 Ca -0.18 -1.12 -0.42 0.00 0.00 0.00 0.00 46.02 44.31 1u8w n GLY 77 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1u8w s LYS 78 N -2.09 4.26 -1.98 1.61 2.20 -1.26 -2.48 119.74 120.00 1u8w s LYS 78 Ca 0.00 2.27 0.00 0.00 -0.36 0.00 0.00 55.97 57.88 1u8w s LYS 78 Cb 0.00 -3.16 0.00 0.00 -1.51 0.00 0.00 37.83 33.16 1u8w s LYS 78 CO 0.00 -0.49 0.00 0.09 -0.36 0.00 0.00 175.35 174.59 1u8w n ASN 79 N 3.30 -5.41 -0.06 1.43 3.02 -1.26 -4.88 115.26 111.40 1u8w n ASN 79 Ca 0.10 0.33 0.12 0.00 -0.03 0.00 0.00 54.58 55.10 1u8w n ASN 79 Cb 0.40 -4.70 0.51 0.00 -0.61 0.00 0.00 39.78 35.38 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 0.91 0.58 2.41 3.04 -1.79 0.37 116.25 121.77 1u8w h VAL 80 Ca -0.43 -0.13 -0.03 0.00 -1.01 0.00 0.00 66.70 65.10 1u8w h VAL 80 Cb 1.32 0.49 0.01 0.00 -2.01 0.00 0.00 31.29 31.09 1u8w h VAL 80 CO 0.59 0.07 -0.28 0.58 -1.01 0.00 0.00 177.57 177.52 1u8w h VAL 81 N 0.39 0.00 -0.67 1.51 2.07 -1.86 0.16 116.25 117.85 1u8w h VAL 81 Ca 0.26 -0.25 -0.03 0.00 0.82 0.00 0.00 66.70 67.50 1u8w h VAL 81 Cb 0.50 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.24 1u8w h VAL 81 CO -0.07 0.00 0.30 -0.07 0.02 0.00 0.00 177.57 177.76 1u8w h LEU 82 N -1.03 0.87 -0.27 2.57 3.38 -1.86 -1.90 115.31 117.06 1u8w h LEU 82 Ca -0.08 -0.10 -0.08 0.00 0.09 0.00 0.00 57.88 57.71 1u8w h LEU 82 Cb 0.60 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 1u8w h LEU 82 CO 0.13 0.75 -0.15 0.74 0.09 0.00 0.00 178.44 180.00 1u8w h THR 83 N 0.95 1.30 -0.87 0.22 2.02 -0.98 -1.17 112.91 114.37 1u8w h THR 83 Ca 0.23 -1.26 0.10 0.00 0.77 0.00 0.00 66.41 66.26 1u8w h THR 83 Cb 0.12 1.54 -0.06 0.00 -1.74 0.00 0.00 68.15 68.01 1u8w h THR 83 CO -0.03 0.40 0.56 1.23 0.37 0.00 0.00 175.52 178.05 1u8w h GLY 84 N 0.31 1.23 1.19 2.16 0.00 -0.38 0.20 103.07 107.79 1u8w h GLY 84 Ca 0.06 -0.35 -0.12 0.00 0.00 0.00 0.00 47.33 46.92 1u8w h GLY 84 CO 0.04 0.18 -0.19 3.21 0.00 0.00 0.00 176.54 179.79 1u8w h ARG 85 N 0.83 0.93 -0.10 4.80 3.08 -1.01 -1.42 114.38 121.49 1u8w h ARG 85 Ca 0.41 -0.37 -0.09 0.00 0.07 0.00 0.00 59.98 60.00 1u8w h ARG 85 Cb 0.45 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.45 1u8w h ARG 85 CO -0.17 1.03 -0.34 -0.22 -1.07 0.00 0.00 179.97 179.19 1u8w h LYS 86 N 0.81 0.20 -0.30 0.04 3.64 0.29 -1.29 116.57 119.96 1u8w h LYS 86 Ca 0.11 -0.08 -0.15 0.00 -1.27 0.00 0.00 60.65 59.26 1u8w h LYS 86 Cb 0.74 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.55 1u8w h LYS 86 CO 0.06 0.53 -0.40 0.82 -2.27 0.00 0.00 179.45 178.19 1u8w h ILE 87 N 0.18 1.29 -0.47 2.00 2.04 -0.37 -3.18 117.51 118.99 1u8w h ILE 87 Ca 0.02 -1.58 -0.12 0.00 1.00 0.00 0.00 64.86 64.18 1u8w h ILE 87 Cb 0.70 1.59 -0.02 0.00 -0.74 0.00 0.00 36.82 38.36 1u8w h ILE 87 CO 0.05 0.51 -0.17 0.40 0.00 0.00 0.00 178.15 178.95 1u8w h ILE 88 N 0.56 1.27 0.00 -0.67 2.04 -1.05 0.13 117.51 119.78 1u8w h ILE 88 Ca 0.03 -1.31 0.00 0.00 1.00 0.00 0.00 64.86 64.59 1u8w h ILE 88 Cb 0.99 1.08 0.00 0.00 -0.74 0.00 0.00 36.82 38.15 1u8w h ILE 88 CO 0.09 0.45 0.00 0.61 0.00 0.00 0.00 178.15 179.30 1u8w n GLY 89 N -0.24 -0.18 3.53 5.37 0.00 -0.50 -1.34 105.19 111.83 1u8w n GLY 89 Ca 0.01 -1.80 -0.52 0.00 0.00 0.00 0.00 46.02 43.70 1u8w n GLY 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u8w n ALA 90 N 0.02 -1.97 -0.33 4.61 0.00 -1.26 -4.85 120.51 116.74 1u8w n ALA 90 Ca 0.00 0.51 0.11 0.00 0.00 0.00 0.00 53.44 54.06 1u8w n ALA 90 Cb 0.00 -1.90 0.29 0.00 0.00 0.00 0.00 19.45 17.84 1u8w n ALA 90 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1u8w h THR 91 N 2.69 0.69 -3.62 0.00 1.35 -1.97 -3.34 112.91 108.71 1u8w h THR 91 Ca -0.45 -0.23 -0.61 0.00 -0.55 0.00 0.00 66.41 64.57 1u8w h THR 91 Cb 1.38 -0.05 -0.12 0.00 -1.73 0.00 0.00 68.15 67.63 1u8w h THR 91 CO 0.68 0.12 0.45 0.21 -0.25 0.00 0.00 175.52 176.74 1u8w s ASN 92 N -5.39 6.47 0.29 5.36 3.04 -1.26 -4.83 114.94 118.63 1u8w s ASN 92 Ca -0.12 0.07 0.04 0.00 0.04 0.00 0.00 52.86 52.89 1u8w s ASN 92 Cb 0.24 -2.41 0.75 0.00 -1.54 0.00 0.00 41.25 38.28 1u8w s ASN 92 CO 0.79 -0.93 1.66 -0.65 -3.04 0.00 0.00 177.10 174.93 1u8w h PRO 93 N 8.92 0.26 -0.20 0.43 0.11 -1.80 0.43 132.00 140.15 1u8w h PRO 93 Ca -0.24 -0.02 0.06 0.00 0.11 0.00 0.00 66.00 65.91 1u8w h PRO 93 Cb 1.08 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 1u8w h PRO 93 CO 0.98 0.17 0.46 0.00 -0.21 0.00 0.00 178.00 179.40 1u8w h ALA 94 N 1.77 1.74 0.00 -0.75 0.00 -1.86 -0.14 119.26 120.02 1u8w h ALA 94 Ca 0.57 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.47 1u8w h ALA 94 Cb 1.15 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1u8w h ALA 94 CO -0.61 -0.56 -1.35 0.00 0.00 0.00 0.00 179.25 176.72 1u8w n ALA 95 N -2.04 3.15 -1.71 0.00 0.00 0.15 -4.99 120.51 115.06 1u8w n ALA 95 Ca 0.03 -0.41 -0.43 0.00 0.00 0.00 0.00 53.44 52.63 1u8w n ALA 95 Cb 0.56 -0.56 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 1u8w n ALA 95 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1u8w n SER 96 N -1.79 3.89 -4.78 0.00 7.64 -0.07 -4.78 113.62 113.73 1u8w n SER 96 Ca -0.01 1.06 -0.37 0.00 1.01 0.00 0.00 58.87 60.56 1u8w n SER 96 Cb 0.35 -1.56 -0.06 0.00 -1.01 0.00 0.00 64.21 61.93 1u8w n SER 96 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1u8w s GLU 97 N 1.17 4.56 0.30 1.43 0.41 -1.26 -4.45 118.70 120.87 1u8w s GLU 97 Ca 0.76 1.29 -0.29 0.00 -0.41 0.00 0.00 54.97 56.31 1u8w s GLU 97 Cb -0.53 -2.84 -0.13 0.00 -1.78 0.00 0.00 34.13 28.86 1u8w s GLU 97 CO 0.33 0.31 1.33 -2.30 -0.49 0.00 0.00 175.26 174.44 1u8w n PRO 98 N 0.63 2.10 0.00 0.39 -0.02 -1.26 -2.08 135.00 134.76 1u8w n PRO 98 Ca 0.01 0.74 0.00 0.00 -2.02 0.00 0.00 63.50 62.23 1u8w n PRO 98 Cb 0.50 -2.35 0.00 0.00 -0.02 0.00 0.00 33.50 31.63 1u8w n PRO 98 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1u8w n GLY 99 N 1.32 1.44 3.92 -1.23 0.00 -1.26 -4.98 105.19 104.39 1u8w n GLY 99 Ca 0.07 -0.21 -0.26 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.26 3.85 0.05 2.61 -4.23 -0.88 -4.92 115.64 110.86 1u8w s THR 100 Ca 0.00 -0.05 -0.28 0.00 -1.18 0.00 0.00 61.69 60.18 1u8w s THR 100 Cb 0.00 -3.50 -0.17 0.00 1.34 0.00 0.00 72.50 70.16 1u8w s THR 100 CO 0.00 -0.49 1.53 0.40 -0.54 0.00 0.00 174.62 175.52 1u8w h ILE 101 N -0.04 0.61 -0.60 2.99 2.04 -0.78 -0.43 117.51 121.30 1u8w h ILE 101 Ca -0.46 -0.20 -0.05 0.00 1.00 0.00 0.00 64.86 65.16 1u8w h ILE 101 Cb 1.25 0.71 -0.03 0.00 -0.74 0.00 0.00 36.82 38.01 1u8w h ILE 101 CO 0.60 0.04 0.19 0.03 0.00 0.00 0.00 178.15 179.01 1u8w h ARG 102 N -0.64 0.90 -0.31 2.37 3.08 -1.45 0.15 114.38 118.48 1u8w h ARG 102 Ca -0.05 -0.17 0.01 0.00 0.07 0.00 0.00 59.98 59.83 1u8w h ARG 102 Cb 0.47 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.36 1u8w h ARG 102 CO 0.09 0.78 0.20 0.78 -1.07 0.00 0.00 179.97 180.75 1u8w h GLY 103 N 1.00 0.42 0.79 0.04 0.00 -1.66 0.57 103.07 104.23 1u8w h GLY 103 Ca 0.20 -0.16 -0.34 0.00 0.00 0.00 0.00 47.33 47.04 1u8w h GLY 103 CO -0.01 0.15 -1.86 -0.55 0.00 0.00 0.00 176.54 174.27 1u8w h ASP 104 N 0.40 0.28 -0.00 0.19 3.32 -0.14 -3.41 116.42 117.05 1u8w h ASP 104 Ca 0.11 -0.60 0.00 0.00 0.02 0.00 0.00 57.03 56.56 1u8w h ASP 104 Cb -0.03 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.44 1u8w h ASP 104 CO -0.02 1.54 -0.00 0.49 -1.72 0.00 0.00 179.24 179.52 1u8w n PHE 105 N -3.33 0.00 -3.98 4.55 3.01 0.44 -5.07 117.46 113.08 1u8w n PHE 105 Ca -0.26 0.00 -0.27 0.00 1.01 0.00 0.00 57.45 57.94 1u8w n PHE 105 Cb 1.05 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 40.48 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 -0.82 3.87 0.00 4.37 0.00 0.18 -5.00 121.76 124.36 1u8w s ALA 106 Ca 0.00 -1.06 0.00 0.00 0.00 0.00 0.00 51.96 50.90 1u8w s ALA 106 Cb 0.00 -1.67 0.00 0.00 0.00 0.00 0.00 23.12 21.45 1u8w s ALA 106 CO 0.00 0.56 0.00 -0.89 0.00 0.00 0.00 175.76 175.44 1u8w n ILE 107 N -0.39 0.00 -3.40 0.00 5.41 -1.26 -4.76 119.36 114.95 1u8w n ILE 107 Ca -0.07 0.00 -0.38 0.00 1.00 0.00 0.00 62.75 63.29 1u8w n ILE 107 Cb 0.54 -0.65 -0.08 0.00 -0.71 0.00 0.00 39.64 38.73 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 -4.78 6.33 0.50 4.38 3.68 -1.26 -4.29 116.67 121.24 1u8w s ASP 108 Ca 0.00 0.38 0.34 0.00 2.13 0.00 0.00 52.55 55.41 1u8w s ASP 108 Cb 0.00 -2.21 1.48 0.00 -1.45 0.00 0.00 42.92 40.74 1u8w s ASP 108 CO 0.00 -0.12 1.74 0.40 0.13 0.00 0.00 175.17 177.32 1u8w h ILE 109 N 5.20 0.33 -0.01 4.11 2.04 -1.97 0.53 117.51 127.75 1u8w h ILE 109 Ca -0.34 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 65.49 1u8w h ILE 109 Cb 1.16 0.24 0.00 0.00 -0.74 0.00 0.00 36.82 37.48 1u8w h ILE 109 CO 0.68 0.02 -0.06 0.61 0.00 0.00 0.00 178.15 179.39 1u8w n GLY 110 N -1.71 -0.65 2.38 5.37 0.00 -1.26 -3.95 105.19 105.38 1u8w n GLY 110 Ca 0.30 -0.31 -0.21 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.61 1.56 -0.93 1.61 5.12 0.19 -4.95 116.66 118.65 1u8w n ARG 111 Ca 0.18 -3.77 -0.18 0.00 -1.93 0.00 0.00 57.85 52.15 1u8w n ARG 111 Cb 0.27 -1.83 0.13 0.00 -1.16 0.00 0.00 32.46 29.87 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 0.20 3.68 0.00 0.55 0.23 -1.20 -4.44 115.26 114.28 1u8w n ASN 112 Ca 0.26 -3.22 0.00 0.00 -0.53 0.00 0.00 54.58 51.10 1u8w n ASN 112 Cb 0.58 -0.76 0.00 0.00 -2.08 0.00 0.00 39.78 37.52 1u8w n ASN 112 CO 0.00 0.00 0.00 0.52 -0.93 0.00 0.00 177.26 176.85 1u8w n VAL 113 N -0.72 0.00 -4.20 3.53 0.31 -1.26 -4.79 118.33 111.19 1u8w n VAL 113 Ca 0.45 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.66 1u8w n VAL 113 Cb 1.36 0.00 -0.10 0.00 -0.91 0.00 0.00 33.84 34.19 1u8w n VAL 113 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1u8w s ILE 114 N 0.00 0.62 0.01 2.52 1.01 -1.26 0.03 121.20 124.12 1u8w s ILE 114 Ca 0.00 -1.95 0.04 0.00 0.00 0.00 0.00 60.65 58.73 1u8w s ILE 114 Cb 0.00 -1.94 -0.01 0.00 0.01 0.00 0.00 42.46 40.51 1u8w s ILE 114 CO 0.00 -0.63 -0.12 -2.28 0.00 0.00 0.00 174.94 171.92 1u8w s HIS 115 N -3.69 1.02 -0.06 3.97 5.65 0.03 -4.90 115.29 117.32 1u8w s HIS 115 Ca 0.19 -0.24 -0.04 0.00 0.25 0.00 0.00 55.06 55.22 1u8w s HIS 115 Cb 0.06 -0.64 0.02 0.00 -1.18 0.00 0.00 32.58 30.84 1u8w s HIS 115 CO 0.00 -0.01 0.14 0.20 -0.65 0.00 0.00 174.74 174.43 1u8w s GLY 116 N -0.54 -0.08 0.41 1.59 0.00 -1.26 -0.49 107.32 106.95 1u8w s GLY 116 Ca 0.03 0.49 -0.25 0.00 0.00 0.00 0.00 44.72 44.98 1u8w s GLY 116 CO 0.00 0.55 1.15 1.44 0.00 0.00 0.00 173.10 176.24 1u8w n SER 117 N 3.40 1.95 -1.16 1.64 7.64 -0.31 -4.91 113.62 121.87 1u8w n SER 117 Ca -0.17 1.09 0.12 0.00 1.01 0.00 0.00 58.87 60.91 1u8w n SER 117 Cb 0.57 -1.43 0.25 0.00 -1.01 0.00 0.00 64.21 62.59 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 0.41 3.44 -3.47 6.43 5.75 -1.26 -4.80 116.55 123.05 1u8w n ASP 118 Ca 0.08 -1.98 -0.11 0.00 -0.01 0.00 0.00 54.79 52.77 1u8w n ASP 118 Cb 0.39 -0.31 -0.02 0.00 -1.03 0.00 0.00 41.12 40.15 1u8w n ASP 118 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 1u8w s SER 119 N -1.35 -0.52 0.29 -1.12 1.04 -1.26 -4.96 113.70 105.82 1u8w s SER 119 Ca 0.41 -0.06 0.00 0.00 0.48 0.00 0.00 55.95 56.78 1u8w s SER 119 Cb 0.23 0.59 0.45 0.00 0.10 0.00 0.00 66.02 67.39 1u8w s SER 119 CO 0.31 -0.97 1.84 0.58 0.98 0.00 0.00 173.24 175.98 1u8w h VAL 120 N 2.00 1.22 0.34 5.02 2.07 -1.93 -0.52 116.25 124.45 1u8w h VAL 120 Ca -0.32 -0.80 -0.02 0.00 0.82 0.00 0.00 66.70 66.38 1u8w h VAL 120 Cb 1.30 0.73 0.00 0.00 -1.52 0.00 0.00 31.29 31.80 1u8w h VAL 120 CO 0.36 0.29 -0.16 -0.33 0.02 0.00 0.00 177.57 177.75 1u8w h GLU 121 N 0.73 -0.44 -0.69 1.57 3.07 -1.97 -2.50 114.58 114.35 1u8w h GLU 121 Ca 0.16 0.03 0.01 0.00 -0.50 0.00 0.00 59.36 59.06 1u8w h GLU 121 Cb 0.30 0.10 -0.03 0.00 -0.84 0.00 0.00 28.75 28.28 1u8w h GLU 121 CO 0.00 -0.15 0.46 0.66 -1.40 0.00 0.00 179.01 178.58 1u8w h SER 122 N -0.74 0.79 -0.50 1.42 4.64 -1.93 -2.20 113.55 115.02 1u8w h SER 122 Ca -0.05 -0.02 0.05 0.00 -0.47 0.00 0.00 61.79 61.30 1u8w h SER 122 Cb 0.50 -0.20 -0.05 0.00 -0.31 0.00 0.00 62.40 62.35 1u8w h SER 122 CO 0.08 0.57 0.23 0.00 -0.87 0.00 0.00 176.83 176.83 1u8w h ALA 123 N 1.57 0.63 -0.81 5.18 0.00 -0.99 -0.79 119.26 124.05 1u8w h ALA 123 Ca 0.25 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1u8w h ALA 123 Cb -0.09 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 1u8w h ALA 123 CO -0.06 -0.14 0.51 0.00 0.00 0.00 0.00 179.25 179.57 1u8w h ARG 124 N 0.45 1.08 0.25 0.00 3.08 -0.94 0.26 114.38 118.55 1u8w h ARG 124 Ca 0.22 -0.08 -0.01 0.00 0.07 0.00 0.00 59.98 60.18 1u8w h ARG 124 Cb 0.17 -0.24 0.00 0.00 0.08 0.00 0.00 29.97 29.98 1u8w h ARG 124 CO -0.18 0.73 -0.12 0.87 -1.07 0.00 0.00 179.97 180.20 1u8w h LYS 125 N 1.10 -0.32 -0.88 0.04 1.57 -1.21 -0.35 116.57 116.53 1u8w h LYS 125 Ca 0.29 0.02 0.01 0.00 -1.87 0.00 0.00 60.65 59.10 1u8w h LYS 125 Cb -0.09 0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.25 1u8w h LYS 125 CO -0.06 -0.03 0.58 0.93 -0.57 0.00 0.00 179.45 180.29 1u8w h GLU 126 N -0.60 1.17 -0.30 3.15 5.08 -0.88 0.17 114.58 122.37 1u8w h GLU 126 Ca -0.03 -0.07 -0.10 0.00 -1.00 0.00 0.00 59.36 58.15 1u8w h GLU 126 Cb 0.44 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 1u8w h GLU 126 CO 0.06 0.78 -0.22 0.97 -1.00 0.00 0.00 179.01 179.59 1u8w h ILE 127 N 1.20 1.30 0.00 3.13 -0.00 -0.44 0.52 117.51 123.22 1u8w h ILE 127 Ca 0.32 -1.37 -0.05 0.00 -0.00 0.00 0.00 64.86 63.77 1u8w h ILE 127 Cb -0.13 1.52 -0.01 0.00 -0.00 0.00 0.00 36.82 38.21 1u8w h ILE 127 CO -0.07 0.44 -0.21 0.00 -0.00 0.00 0.00 178.15 178.30 1u8w h ALA 128 N 0.73 1.41 0.01 0.18 0.00 -0.46 0.12 119.26 121.25 1u8w h ALA 128 Ca 0.06 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1u8w h ALA 128 Cb 0.77 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1u8w h ALA 128 CO 0.06 0.27 -0.05 1.25 0.00 0.00 0.00 179.25 180.78 1u8w h LEU 129 N 0.00 0.03 -0.19 0.00 5.85 -0.37 -3.29 115.31 117.34 1u8w h LEU 129 Ca -0.00 -0.97 -0.20 0.00 0.84 0.00 0.00 57.88 57.55 1u8w h LEU 129 Cb 0.45 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.45 1u8w h LEU 129 CO 0.03 1.00 -0.92 -0.50 -0.34 0.00 0.00 178.44 177.71 1u8w h TRP 130 N -0.94 0.11 -2.11 1.25 4.06 -0.84 -3.38 115.95 114.10 1u8w h TRP 130 Ca -0.01 -0.07 -0.58 0.00 2.06 0.00 0.00 58.89 60.29 1u8w h TRP 130 Cb 1.02 -0.01 -0.41 0.00 -1.00 0.00 0.00 29.16 28.76 1u8w h TRP 130 CO 0.27 0.95 -0.81 1.19 -3.56 0.00 0.00 178.44 176.47 1u8w n PHE 131 N -3.52 1.99 0.31 0.49 3.01 0.43 -4.93 117.46 115.24 1u8w n PHE 131 Ca -0.02 -3.91 0.20 0.00 1.01 0.00 0.00 57.45 54.73 1u8w n PHE 131 Cb 0.86 -0.47 1.07 0.00 -0.01 0.00 0.00 39.48 40.93 1u8w n PHE 131 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1u8w h PRO 132 N 4.05 0.00 -0.09 -1.08 0.13 -1.73 -1.10 132.00 132.18 1u8w h PRO 132 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 1u8w h PRO 132 Cb 0.75 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.88 1u8w h PRO 132 CO 0.68 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.20 1u8w n ASP 133 N -3.35 0.78 0.00 1.44 8.00 -1.26 -5.03 116.55 117.13 1u8w n ASP 133 Ca -0.02 -1.64 0.00 0.00 0.71 0.00 0.00 54.79 53.83 1u8w n ASP 133 Cb 0.12 -0.06 0.00 0.00 -0.02 0.00 0.00 41.12 41.17 1u8w n ASP 133 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1u8w n GLY 134 N 0.91 -1.48 3.88 0.44 0.00 -0.42 -4.98 105.19 103.54 1u8w n GLY 134 Ca 0.13 -1.57 -0.30 0.00 0.00 0.00 0.00 46.02 44.28 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 -1.91 3.19 -0.36 1.61 0.04 -1.26 -4.99 135.00 131.32 1u8w s PRO 135 Ca 0.00 0.56 -0.18 0.00 0.04 0.00 0.00 61.00 61.41 1u8w s PRO 135 Cb 0.00 -2.07 0.00 0.00 0.04 0.00 0.00 34.50 32.48 1u8w s PRO 135 CO 0.00 -0.81 0.52 0.08 0.04 0.00 0.00 177.00 176.84 1u8w s VAL 136 N -3.25 5.00 0.22 -0.36 1.01 0.48 -5.04 120.40 118.46 1u8w s VAL 136 Ca 0.56 0.28 -0.14 0.00 0.00 0.00 0.00 61.98 62.68 1u8w s VAL 136 Cb -0.11 -3.99 -0.08 0.00 0.00 0.00 0.00 36.38 32.20 1u8w s VAL 136 CO 0.52 -0.27 0.61 0.20 0.00 0.00 0.00 175.10 176.17 1u8w s ASN 137 N 1.79 6.79 -0.28 3.32 0.01 -1.26 -4.60 114.94 120.70 1u8w s ASN 137 Ca 0.19 1.12 -0.29 0.00 -0.71 0.00 0.00 52.86 53.17 1u8w s ASN 137 Cb -0.15 -2.31 0.19 0.00 0.41 0.00 0.00 41.25 39.39 1u8w s ASN 137 CO 0.14 -0.02 1.35 -1.66 -1.51 0.00 0.00 177.10 175.40 1u8w s TRP 138 N -1.68 -0.05 0.05 2.20 1.48 -1.26 -5.17 118.94 114.51 1u8w s TRP 138 Ca 0.45 0.08 0.00 0.00 -1.06 0.00 0.00 56.10 55.57 1u8w s TRP 138 Cb -0.13 0.49 -0.04 0.00 -1.16 0.00 0.00 33.47 32.63 1u8w s TRP 138 CO 0.20 -0.04 0.18 -0.65 -4.06 0.00 0.00 176.95 172.57 1u8w s GLN 139 N -0.97 3.32 -0.01 3.25 -0.21 -1.26 -5.09 119.66 118.69 1u8w s GLN 139 Ca 0.09 -0.47 -0.09 0.00 0.02 0.00 0.00 55.36 54.90 1u8w s GLN 139 Cb -0.01 -2.98 -0.05 0.00 1.00 0.00 0.00 33.01 30.97 1u8w s GLN 139 CO -0.08 0.61 0.29 0.45 -2.12 0.00 0.00 175.29 174.44 1u8w s SER 140 N -2.38 6.56 0.00 5.90 0.15 -1.26 -4.98 113.70 117.69 1u8w s SER 140 Ca 0.32 0.66 0.25 0.00 0.70 0.00 0.00 55.95 57.89 1u8w s SER 140 Cb -0.13 -2.13 1.33 0.00 -1.71 0.00 0.00 66.02 63.38 1u8w s SER 140 CO 0.25 0.29 1.85 -1.54 1.20 0.00 0.00 173.24 175.28 1u8w n SER 141 N 1.40 0.00 -0.64 5.45 3.41 -1.26 -2.53 113.62 119.45 1u8w n SER 141 Ca -0.13 -0.29 0.07 0.00 -0.26 0.00 0.00 58.87 58.26 1u8w n SER 141 Cb 0.53 -0.20 0.11 0.00 -0.26 0.00 0.00 64.21 64.39 1u8w n SER 141 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1u8w n VAL 142 N -1.20 0.35 -0.26 -3.33 0.24 -1.26 -4.65 118.33 108.22 1u8w n VAL 142 Ca 0.14 -0.68 0.04 0.00 -2.04 0.00 0.00 64.34 61.80 1u8w n VAL 142 Cb 0.16 1.01 0.13 0.00 -1.47 0.00 0.00 33.84 33.67 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 2.66 -0.24 0.00 6.34 6.17 -1.91 0.12 115.15 128.30 1u8w h HIS 143 Ca 0.00 0.06 0.00 0.00 0.71 0.00 0.00 60.37 61.14 1u8w h HIS 143 Cb 0.65 0.23 0.00 0.00 2.52 0.00 0.00 27.41 30.81 1u8w h HIS 143 CO 0.10 -0.30 0.02 -1.00 0.71 0.00 0.00 177.93 177.47 1u8w h PRO 144 N 0.04 0.00 -0.00 5.26 0.13 -1.83 -1.22 132.00 134.38 1u8w h PRO 144 Ca 0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.52 1u8w h PRO 144 Cb 0.65 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.78 1u8w h PRO 144 CO -0.74 0.00 -0.78 0.91 -0.23 0.00 0.00 178.00 177.16 1u8w n TRP 145 N -2.55 0.00 -0.07 1.56 7.02 0.41 -4.36 117.44 119.46 1u8w n TRP 145 Ca -0.02 0.00 -0.22 0.00 -1.02 0.00 0.00 57.50 56.24 1u8w n TRP 145 Cb 0.07 0.00 -0.13 0.00 -2.42 0.00 0.00 31.31 28.83 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 -1.14 1.64 -4.18 -0.99 0.31 -0.62 -4.99 118.33 108.36 1u8w n VAL 146 Ca 0.05 -0.49 -0.25 0.00 -0.01 0.00 0.00 64.34 63.64 1u8w n VAL 146 Cb 0.32 -1.73 -0.07 0.00 -0.91 0.00 0.00 33.84 31.44 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 -2.51 2.55 -0.08 3.52 1.51 -0.56 -5.11 117.35 116.67 1u8w s TYR 147 Ca -0.29 -0.61 -0.13 0.00 -1.01 0.00 0.00 57.07 55.03 1u8w s TYR 147 Cb 0.08 -1.94 -0.05 0.00 -0.11 0.00 0.00 41.96 39.94 1u8w s TYR 147 CO 0.66 0.18 0.33 -2.00 -1.11 0.00 0.00 175.55 173.61 1u8w s GLU 148 N -3.90 3.96 0.00 -0.62 2.12 -1.26 -4.68 118.70 114.32 1u8w s GLU 148 Ca 0.39 0.22 0.00 0.00 0.36 0.00 0.00 54.97 55.94 1u8w s GLU 148 Cb 0.04 -3.29 0.00 0.00 0.26 0.00 0.00 34.13 31.14 1u8w s GLU 148 CO 0.22 0.53 0.00 2.41 -0.54 0.00 0.00 175.26 177.87