#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 1.41 -4.07 0.03 2.13 -1.25 -4.72 120.64 114.16 1u8w n GLU 2 Ca 0.00 0.52 -0.10 0.00 0.66 0.00 0.00 57.16 58.24 1u8w n GLU 2 Cb 0.00 -2.30 -0.11 0.00 0.27 0.00 0.00 31.44 29.30 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 -2.55 0.55 0.13 5.31 -0.21 -1.26 -0.94 119.66 120.69 1u8w s GLN 3 Ca 0.69 -0.96 -0.01 0.00 0.02 0.00 0.00 55.36 55.11 1u8w s GLN 3 Cb -0.46 -0.03 -0.04 0.00 1.00 0.00 0.00 33.01 33.48 1u8w s GLN 3 CO 0.52 -0.04 0.04 -0.08 -2.12 0.00 0.00 175.29 173.61 1u8w s THR 4 N -2.56 0.21 -0.29 -0.19 -1.32 -0.32 -4.77 115.64 106.41 1u8w s THR 4 Ca -0.03 -1.91 -0.08 0.00 -1.21 0.00 0.00 61.69 58.46 1u8w s THR 4 Cb -0.02 -2.00 -0.01 0.00 -1.51 0.00 0.00 72.50 68.97 1u8w s THR 4 CO -0.04 -0.53 0.11 0.12 -2.21 0.00 0.00 174.62 172.07 1u8w s PHE 5 N -3.97 3.14 -0.03 9.09 5.36 -1.26 -2.04 117.98 128.28 1u8w s PHE 5 Ca 0.22 -0.66 0.03 0.00 -0.96 0.00 0.00 56.93 55.56 1u8w s PHE 5 Cb 0.07 -2.30 -0.03 0.00 -0.34 0.00 0.00 43.02 40.43 1u8w s PHE 5 CO 0.01 -0.47 -0.10 0.42 -1.46 0.00 0.00 175.22 173.62 1u8w s ILE 6 N 1.58 3.38 -0.06 3.12 1.09 -0.84 -2.34 121.20 127.13 1u8w s ILE 6 Ca 0.04 -0.70 -0.02 0.00 -1.10 0.00 0.00 60.65 58.87 1u8w s ILE 6 Cb -0.17 -2.39 0.03 0.00 -1.06 0.00 0.00 42.46 38.87 1u8w s ILE 6 CO 0.04 0.52 0.03 -0.32 -0.10 0.00 0.00 174.94 175.12 1u8w s MET 7 N -1.00 0.28 -0.51 2.79 1.75 -0.37 -0.84 119.30 121.41 1u8w s MET 7 Ca 0.13 0.22 -0.25 0.00 -1.25 0.00 0.00 55.69 54.54 1u8w s MET 7 Cb -0.11 -0.80 0.03 0.00 2.84 0.00 0.00 34.83 36.80 1u8w s MET 7 CO 0.03 -0.33 0.97 0.42 -0.65 0.00 0.00 175.02 175.46 1u8w s ILE 8 N 2.06 4.38 0.94 10.11 1.01 -0.60 -1.31 121.20 137.79 1u8w s ILE 8 Ca 0.05 0.62 -0.11 0.00 0.00 0.00 0.00 60.65 61.20 1u8w s ILE 8 Cb -0.12 -4.51 0.15 0.00 0.01 0.00 0.00 42.46 37.99 1u8w s ILE 8 CO -0.04 -0.99 1.10 -0.54 0.00 0.00 0.00 174.94 174.46 1u8w s LYS 9 N 3.98 0.90 0.29 2.79 1.02 0.36 -2.03 119.74 127.04 1u8w s LYS 9 Ca 0.36 1.12 -0.03 0.00 0.02 0.00 0.00 55.97 57.44 1u8w s LYS 9 Cb -0.11 -1.74 0.60 0.00 -0.52 0.00 0.00 37.83 36.06 1u8w s LYS 9 CO 0.24 -2.58 1.58 -1.35 -0.92 0.00 0.00 175.35 172.32 1u8w h PRO 10 N -1.81 0.02 -0.69 -1.68 0.11 -1.82 0.54 132.00 126.67 1u8w h PRO 10 Ca -0.49 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.60 1u8w h PRO 10 Cb 1.28 -0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.35 1u8w h PRO 10 CO 0.49 0.01 0.33 0.38 -0.21 0.00 0.00 178.00 179.01 1u8w h ASP 11 N 0.02 0.88 -0.55 -2.05 2.03 -1.89 0.15 116.42 115.00 1u8w h ASP 11 Ca 0.53 -0.09 -0.04 0.00 -0.73 0.00 0.00 57.03 56.69 1u8w h ASP 11 Cb 0.98 -0.23 -0.03 0.00 -0.83 0.00 0.00 39.33 39.23 1u8w h ASP 11 CO -0.91 0.74 0.20 1.23 -1.03 0.00 0.00 179.24 179.48 1u8w h GLY 12 N 1.04 0.95 0.87 7.15 0.00 -0.13 -0.22 103.07 112.73 1u8w h GLY 12 Ca 0.24 -0.51 -0.17 0.00 0.00 0.00 0.00 47.33 46.89 1u8w h GLY 12 CO -0.03 0.48 -0.64 -2.08 0.00 0.00 0.00 176.54 174.27 1u8w h VAL 13 N 0.87 1.39 0.00 4.60 2.07 -0.64 -1.85 116.25 122.68 1u8w h VAL 13 Ca 0.20 -2.04 -0.02 0.00 0.82 0.00 0.00 66.70 65.65 1u8w h VAL 13 Cb 0.23 2.47 -0.00 0.00 -1.52 0.00 0.00 31.29 32.46 1u8w h VAL 13 CO -0.01 0.61 -0.10 1.56 0.02 0.00 0.00 177.57 179.65 1u8w h GLN 14 N 0.03 0.00 -0.35 1.57 1.08 -0.44 -1.43 115.11 115.57 1u8w h GLN 14 Ca -0.07 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.13 1u8w h GLN 14 Cb 1.33 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.76 1u8w h GLN 14 CO 0.13 0.10 0.00 0.54 -0.95 0.00 0.00 178.83 178.65 1u8w n ARG 15 N -4.32 2.01 -3.33 1.46 1.74 -0.12 -4.97 116.66 109.13 1u8w n ARG 15 Ca -0.03 -1.54 -0.16 0.00 -0.77 0.00 0.00 57.85 55.35 1u8w n ARG 15 Cb 0.17 -1.39 0.08 0.00 -1.02 0.00 0.00 32.46 30.31 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 1.23 -0.69 0.36 -0.13 0.00 -0.54 -4.95 105.19 100.48 1u8w n GLY 16 Ca 0.16 0.30 0.04 0.00 0.00 0.00 0.00 46.02 46.52 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 -3.71 2.15 0.06 0.99 4.77 -0.70 -4.74 117.00 115.81 1u8w n LEU 17 Ca -0.19 -1.54 -0.12 0.00 -0.03 0.00 0.00 56.01 54.13 1u8w n LEU 17 Cb 0.65 -0.08 -0.05 0.00 -2.33 0.00 0.00 43.42 41.61 1u8w n LEU 17 CO 0.59 0.50 0.66 0.40 -1.33 0.00 0.00 177.39 178.22 1u8w h ILE 18 N 1.38 0.34 0.00 -0.08 2.04 -1.90 -0.31 117.51 118.98 1u8w h ILE 18 Ca 0.00 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.87 1u8w h ILE 18 Cb 0.49 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 36.90 1u8w h ILE 18 CO 0.00 0.00 -0.03 1.23 0.00 0.00 0.00 178.15 179.35 1u8w h GLY 19 N -0.44 -0.03 -0.11 5.37 0.00 -1.97 -2.18 103.07 103.71 1u8w h GLY 19 Ca 0.06 0.03 0.11 0.00 0.00 0.00 0.00 47.33 47.54 1u8w h GLY 19 CO -0.26 -0.03 -0.15 -2.09 0.00 0.00 0.00 176.54 174.01 1u8w h GLU 20 N -0.05 -0.01 0.36 4.80 4.57 -1.80 -0.02 114.58 122.42 1u8w h GLU 20 Ca 0.01 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.17 1u8w h GLU 20 Cb 0.07 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.66 1u8w h GLU 20 CO -0.03 -0.01 -0.17 0.28 -1.18 0.00 0.00 179.01 177.90 1u8w h VAL 21 N -0.01 0.66 -0.89 0.32 2.07 -0.86 -2.72 116.25 114.82 1u8w h VAL 21 Ca 0.26 -0.12 0.15 0.00 0.82 0.00 0.00 66.70 67.81 1u8w h VAL 21 Cb 0.41 0.72 -0.07 0.00 -1.52 0.00 0.00 31.29 30.83 1u8w h VAL 21 CO -0.57 0.03 0.57 0.40 0.02 0.00 0.00 177.57 178.02 1u8w h ILE 22 N -0.55 0.82 -0.92 4.57 2.04 -0.92 -1.16 117.51 121.39 1u8w h ILE 22 Ca -0.05 -0.23 0.00 0.00 1.00 0.00 0.00 64.86 65.59 1u8w h ILE 22 Cb 0.41 0.10 -0.04 0.00 -0.74 0.00 0.00 36.82 36.55 1u8w h ILE 22 CO 0.08 0.12 0.58 0.00 0.00 0.00 0.00 178.15 178.93 1u8w h ARG 24 N 1.25 0.79 -0.27 0.00 3.08 -0.95 -0.22 114.38 118.05 1u8w h ARG 24 Ca 0.33 -0.33 -0.16 0.00 0.07 0.00 0.00 59.98 59.90 1u8w h ARG 24 Cb -0.10 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 29.91 1u8w h ARG 24 CO -0.07 0.95 -0.46 0.74 -1.07 0.00 0.00 179.97 180.06 1u8w h PHE 25 N 0.59 0.87 0.12 3.04 0.04 -1.37 -2.13 116.94 118.10 1u8w h PHE 25 Ca 0.09 -0.28 -0.01 0.00 2.80 0.00 0.00 57.97 60.57 1u8w h PHE 25 Cb 0.69 -0.18 0.00 0.00 2.20 0.00 0.00 35.95 38.67 1u8w h PHE 25 CO 0.06 1.04 -0.06 0.93 -0.60 0.00 0.00 178.31 179.68 1u8w h GLU 26 N 0.57 -0.15 -0.19 1.51 5.08 -0.88 -2.82 114.58 117.70 1u8w h GLU 26 Ca 0.03 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1u8w h GLU 26 Cb 1.02 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.29 1u8w h GLU 26 CO 0.10 -0.01 0.13 0.87 -1.00 0.00 0.00 179.01 179.09 1u8w h LYS 27 N -0.26 0.25 0.00 2.33 1.57 -1.01 -1.31 116.57 118.15 1u8w h LYS 27 Ca -0.02 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.70 1u8w h LYS 27 Cb 0.21 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 1u8w h LYS 27 CO 0.03 0.17 -0.21 -0.22 -0.57 0.00 0.00 179.45 178.65 1u8w h LYS 28 N 0.26 0.00 0.00 3.15 1.63 -1.14 -3.46 116.57 117.01 1u8w h LYS 28 Ca 0.07 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.87 1u8w h LYS 28 Cb -0.03 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.60 1u8w h LYS 28 CO -0.02 0.21 0.00 0.41 -3.45 0.00 0.00 179.45 176.60 1u8w n GLY 29 N -0.84 1.06 3.76 5.01 0.00 -0.49 -5.11 105.19 108.58 1u8w n GLY 29 Ca -0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 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 2.50 -0.21 1.61 0.08 -1.11 -5.02 117.98 113.83 1u8w s PHE 30 Ca 0.00 1.55 -0.09 0.00 0.12 0.00 0.00 56.93 58.52 1u8w s PHE 30 Cb 0.00 -3.28 -0.04 0.00 -0.57 0.00 0.00 43.02 39.12 1u8w s PHE 30 CO 0.00 -1.88 0.11 0.99 -0.10 0.00 0.00 175.22 174.33 1u8w s THR 31 N -2.08 5.04 -0.21 0.64 2.01 -0.43 -4.59 115.64 116.02 1u8w s THR 31 Ca 0.71 0.06 -0.26 0.00 0.31 0.00 0.00 61.69 62.50 1u8w s THR 31 Cb -0.24 -3.31 -0.00 0.00 0.01 0.00 0.00 72.50 68.96 1u8w s THR 31 CO 0.38 0.41 0.91 -0.22 -0.69 0.00 0.00 174.62 175.41 1u8w s LEU 32 N 0.72 4.12 0.00 4.42 2.96 -1.26 0.33 118.68 129.96 1u8w s LEU 32 Ca 0.06 1.21 0.05 0.00 -0.22 0.00 0.00 54.13 55.22 1u8w s LEU 32 Cb -0.13 -3.33 0.09 0.00 0.50 0.00 0.00 46.19 43.32 1u8w s LEU 32 CO 0.02 -0.53 0.91 0.29 -1.32 0.00 0.00 176.35 175.71 1u8w n LYS 33 N 5.87 1.52 -3.64 1.98 4.76 0.77 -4.94 118.16 124.47 1u8w n LYS 33 Ca 0.08 -1.33 -0.04 0.00 -2.87 0.00 0.00 58.31 54.15 1u8w n LYS 33 Cb 0.47 -1.11 -0.07 0.00 -1.84 0.00 0.00 35.03 32.49 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 -0.74 -0.06 -0.22 0.72 0.00 -1.15 -0.57 107.32 105.30 1u8w s GLY 34 Ca 0.08 3.00 -0.14 0.00 0.00 0.00 0.00 44.72 47.67 1u8w s GLY 34 CO 0.07 2.40 0.55 -2.27 0.00 0.00 0.00 173.10 173.85 1u8w s LEU 35 N 1.08 -0.48 -0.16 0.66 2.96 -1.24 -0.01 118.68 121.48 1u8w s LEU 35 Ca -0.06 1.20 -0.30 0.00 -0.22 0.00 0.00 54.13 54.75 1u8w s LEU 35 Cb -0.04 1.88 0.12 0.00 0.50 0.00 0.00 46.19 48.66 1u8w s LEU 35 CO -0.13 -0.21 0.98 -1.59 -1.32 0.00 0.00 176.35 174.08 1u8w s LYS 36 N 1.36 0.61 -0.25 1.98 -2.85 0.91 -4.96 119.74 116.54 1u8w s LYS 36 Ca -0.08 0.19 -0.15 0.00 -1.00 0.00 0.00 55.97 54.92 1u8w s LYS 36 Cb -0.06 0.29 -0.04 0.00 -2.06 0.00 0.00 37.83 35.96 1u8w s LYS 36 CO -0.14 -0.18 0.37 -1.17 0.10 0.00 0.00 175.35 174.32 1u8w s LEU 37 N -1.01 4.07 0.01 2.77 0.20 -1.26 0.40 118.68 123.85 1u8w s LEU 37 Ca -0.02 0.33 0.01 0.00 0.69 0.00 0.00 54.13 55.13 1u8w s LEU 37 Cb -0.01 -2.43 -0.01 0.00 -0.43 0.00 0.00 46.19 43.32 1u8w s LEU 37 CO 0.01 -0.15 -0.03 -0.63 -0.29 0.00 0.00 176.35 175.27 1u8w s ILE 38 N 1.85 0.19 -0.49 6.68 1.01 0.24 -4.95 121.20 125.74 1u8w s ILE 38 Ca 0.15 -0.34 -0.13 0.00 0.00 0.00 0.00 60.65 60.34 1u8w s ILE 38 Cb -0.15 -0.21 0.11 0.00 0.01 0.00 0.00 42.46 42.22 1u8w s ILE 38 CO 0.09 -0.10 0.40 -0.44 0.00 0.00 0.00 174.94 174.89 1u8w s SER 39 N -0.47 5.93 0.24 3.58 0.01 -1.26 0.02 113.70 121.75 1u8w s SER 39 Ca -0.03 -1.72 -0.30 0.00 1.31 0.00 0.00 55.95 55.20 1u8w s SER 39 Cb -0.03 -2.10 -0.09 0.00 0.21 0.00 0.00 66.02 64.00 1u8w s SER 39 CO -0.00 -0.72 1.25 -0.69 0.41 0.00 0.00 173.24 173.48 1u8w s VAL 40 N 1.50 3.22 0.25 3.43 1.01 -1.26 -5.03 120.40 123.52 1u8w s VAL 40 Ca 0.04 1.10 -0.18 0.00 0.00 0.00 0.00 61.98 62.94 1u8w s VAL 40 Cb -0.27 -3.70 -0.08 0.00 0.00 0.00 0.00 36.38 32.33 1u8w s VAL 40 CO 0.02 0.21 0.72 -1.83 0.00 0.00 0.00 175.10 174.22 1u8w s GLU 41 N -0.77 4.17 0.31 2.72 1.03 -1.26 -4.56 118.70 120.33 1u8w s GLU 41 Ca 0.52 0.80 0.03 0.00 0.03 0.00 0.00 54.97 56.35 1u8w s GLU 41 Cb -0.36 -2.76 0.78 0.00 -0.80 0.00 0.00 34.13 30.99 1u8w s GLU 41 CO 0.42 0.33 1.59 0.00 -1.33 0.00 0.00 175.26 176.27 1u8w h ARG 42 N 3.11 0.05 -0.18 -4.83 2.47 -1.95 0.49 114.38 113.54 1u8w h ARG 42 Ca -0.48 -0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.22 1u8w h ARG 42 Cb 1.19 -0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 29.49 1u8w h ARG 42 CO 0.65 0.03 0.04 0.66 0.56 0.00 0.00 179.97 181.92 1u8w h SER 43 N 0.05 0.27 0.08 7.04 4.64 -1.99 -0.39 113.55 123.25 1u8w h SER 43 Ca 0.60 -0.23 -0.00 0.00 -0.47 0.00 0.00 61.79 61.69 1u8w h SER 43 Cb 1.27 -0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1u8w h SER 43 CO -0.84 0.44 -0.05 0.15 -0.87 0.00 0.00 176.83 175.66 1u8w h PHE 44 N 0.10 -0.12 -0.66 4.77 3.57 -1.57 -2.31 116.94 120.72 1u8w h PHE 44 Ca 0.06 -0.00 0.13 0.00 3.53 0.00 0.00 57.97 61.68 1u8w h PHE 44 Cb 0.27 0.04 -0.09 0.00 2.79 0.00 0.00 35.95 38.96 1u8w h PHE 44 CO 0.01 -0.08 0.16 0.00 -2.23 0.00 0.00 178.31 176.18 1u8w h ALA 45 N 0.80 0.82 -0.11 2.41 0.00 -0.86 0.42 119.26 122.74 1u8w h ALA 45 Ca -0.01 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1u8w h ALA 45 Cb 0.10 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1u8w h ALA 45 CO 0.01 -0.30 0.07 0.93 0.00 0.00 0.00 179.25 179.96 1u8w h GLU 46 N 0.29 0.14 -0.01 0.00 5.08 -0.62 -2.43 114.58 117.04 1u8w h GLU 46 Ca 0.35 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.67 1u8w h GLU 46 Cb 0.55 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.77 1u8w h GLU 46 CO -0.43 0.10 -0.14 0.87 -1.00 0.00 0.00 179.01 178.41 1u8w h LYS 47 N 0.15 0.12 -1.01 2.33 1.57 -0.42 -3.17 116.57 116.14 1u8w h LYS 47 Ca 0.04 -0.11 0.24 0.00 -1.87 0.00 0.00 60.65 58.95 1u8w h LYS 47 Cb -0.01 0.03 -0.11 0.00 0.08 0.00 0.00 32.23 32.21 1u8w h LYS 47 CO -0.01 0.81 0.61 1.25 -0.57 0.00 0.00 179.45 181.55 1u8w h HIS 48 N -0.54 0.96 -0.99 -1.35 2.76 -0.86 0.20 115.15 115.33 1u8w h HIS 48 Ca -0.01 0.03 -0.62 0.00 -2.20 0.00 0.00 60.37 57.57 1u8w h HIS 48 Cb 0.85 -0.28 -0.30 0.00 1.55 0.00 0.00 27.41 29.23 1u8w h HIS 48 CO 0.17 0.11 0.77 0.66 -1.30 0.00 0.00 177.93 178.34 1u8w n TYR 49 N -4.81 3.16 0.00 5.26 4.01 -0.96 -4.79 117.16 119.04 1u8w n TYR 49 Ca 0.26 -2.63 0.00 0.00 -0.16 0.00 0.00 57.90 55.36 1u8w n TYR 49 Cb 0.73 -1.27 0.00 0.00 -0.31 0.00 0.00 39.34 38.49 1u8w n TYR 49 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 1u8w n GLU 50 N -0.99 0.00 -0.08 -0.72 1.02 0.71 -2.36 120.64 118.21 1u8w n GLU 50 Ca 0.61 0.69 0.23 0.00 -0.02 0.00 0.00 57.16 58.67 1u8w n GLU 50 Cb 0.99 -1.43 0.45 0.00 -0.02 0.00 0.00 31.44 31.44 1u8w n GLU 50 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 1u8w h ASP 51 N 0.00 0.00 -0.48 1.62 3.32 -1.86 1.39 116.42 120.41 1u8w h ASP 51 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1u8w h ASP 51 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1u8w h ASP 51 CO 0.00 0.00 0.00 0.18 -1.72 0.00 0.00 179.24 177.70 1u8w n LEU 52 N -3.22 3.28 0.09 1.55 4.77 -1.00 -4.46 117.00 118.01 1u8w n LEU 52 Ca 0.17 -1.65 -0.08 0.00 -0.03 0.00 0.00 56.01 54.43 1u8w n LEU 52 Cb 1.28 -0.44 -0.04 0.00 -2.33 0.00 0.00 43.42 41.89 1u8w n LEU 52 CO 0.21 0.63 0.51 -1.28 -1.33 0.00 0.00 177.39 176.13 1u8w h SER 53 N 2.92 -0.65 -1.09 -1.43 0.87 0.19 -1.81 113.55 112.55 1u8w h SER 53 Ca 0.00 0.06 0.32 0.00 -1.23 0.00 0.00 61.79 60.94 1u8w h SER 53 Cb 0.98 0.22 -0.04 0.00 -0.44 0.00 0.00 62.40 63.12 1u8w h SER 53 CO 0.12 -0.27 0.94 0.77 -0.53 0.00 0.00 176.83 177.85 1u8w h SER 54 N -0.39 0.00 -3.54 6.23 4.64 -1.80 -3.42 113.55 115.26 1u8w h SER 54 Ca -0.02 0.00 -0.44 0.00 -0.47 0.00 0.00 61.79 60.87 1u8w h SER 54 Cb 0.36 0.00 0.19 0.00 -0.31 0.00 0.00 62.40 62.64 1u8w h SER 54 CO -0.07 0.00 0.10 -0.54 -0.87 0.00 0.00 176.83 175.45 1u8w s LYS 55 N -4.73 -0.52 -0.22 4.77 -0.14 -0.68 -5.03 119.74 113.19 1u8w s LYS 55 Ca -0.04 0.51 -0.17 0.00 -1.36 0.00 0.00 55.97 54.91 1u8w s LYS 55 Cb 0.20 -1.63 -0.14 0.00 -1.68 0.00 0.00 37.83 34.58 1u8w s LYS 55 CO 0.68 -3.37 -0.05 -1.13 -0.76 0.00 0.00 175.35 170.72 1u8w n SER 56 N -4.62 1.89 0.00 2.83 3.41 -1.26 -4.22 113.62 111.64 1u8w n SER 56 Ca 0.05 0.42 0.00 0.00 -0.26 0.00 0.00 58.87 59.09 1u8w n SER 56 Cb 0.57 -0.89 0.02 0.00 -0.26 0.00 0.00 64.21 63.64 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 -4.41 0.00 -0.12 7.33 1.16 -1.26 -3.51 117.46 116.64 1u8w n PHE 57 Ca -0.34 0.00 -0.04 0.00 -1.87 0.00 0.00 57.45 55.20 1u8w n PHE 57 Cb 0.67 -0.25 -0.03 0.00 -1.61 0.00 0.00 39.48 38.25 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 0.00 -0.65 -1.00 2.97 3.57 -1.78 0.41 116.94 120.47 1u8w h PHE 58 Ca 0.00 0.04 0.23 0.00 3.53 0.00 0.00 57.97 61.77 1u8w h PHE 58 Cb 0.01 0.32 -0.09 0.00 2.79 0.00 0.00 35.95 38.97 1u8w h PHE 58 CO 0.00 -0.14 0.63 0.66 -2.23 0.00 0.00 178.31 177.23 1u8w h SER 59 N -0.04 0.56 -0.34 0.41 4.64 -1.88 -0.57 113.55 116.34 1u8w h SER 59 Ca 0.05 0.08 -0.02 0.00 -0.47 0.00 0.00 61.79 61.43 1u8w h SER 59 Cb 0.16 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.22 1u8w h SER 59 CO -0.30 0.16 0.14 1.23 -0.87 0.00 0.00 176.83 177.19 1u8w h GLY 60 N 0.52 0.54 0.98 -0.77 0.00 -0.53 -1.60 103.07 102.21 1u8w h GLY 60 Ca 0.57 -0.29 -0.00 0.00 0.00 0.00 0.00 47.33 47.61 1u8w h GLY 60 CO -0.31 0.27 0.21 1.41 0.00 0.00 0.00 176.54 178.12 1u8w h LEU 61 N 0.40 0.41 0.07 3.11 3.38 0.70 -2.39 115.31 120.99 1u8w h LEU 61 Ca 0.11 -0.05 0.02 0.00 0.09 0.00 0.00 57.88 58.05 1u8w h LEU 61 Cb 0.18 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 1u8w h LEU 61 CO -0.01 0.34 -0.19 0.58 0.09 0.00 0.00 178.44 179.25 1u8w h VAL 62 N 0.45 0.55 -0.86 1.22 2.07 -1.20 -0.20 116.25 118.29 1u8w h VAL 62 Ca 0.12 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.82 1u8w h VAL 62 Cb 0.00 0.55 -0.06 0.00 -1.52 0.00 0.00 31.29 30.26 1u8w h VAL 62 CO -0.02 0.00 0.57 0.44 0.02 0.00 0.00 177.57 178.57 1u8w h ASP 63 N -0.35 0.44 0.00 0.57 3.32 -1.16 -1.61 116.42 117.63 1u8w h ASP 63 Ca 0.04 0.04 -0.21 0.00 0.02 0.00 0.00 57.03 56.91 1u8w h ASP 63 Cb 0.39 -0.05 0.02 0.00 0.22 0.00 0.00 39.33 39.91 1u8w h ASP 63 CO -0.13 0.20 -0.83 0.22 -1.72 0.00 0.00 179.24 176.97 1u8w h TYR 64 N 0.45 0.84 0.00 4.55 3.20 -0.81 -2.69 116.97 122.51 1u8w h TYR 64 Ca 0.44 -0.46 -0.00 0.00 3.14 0.00 0.00 58.73 61.85 1u8w h TYR 64 Cb 1.01 -0.10 -0.00 0.00 1.54 0.00 0.00 36.73 39.18 1u8w h TYR 64 CO -0.00 1.29 -0.02 0.82 -1.64 0.00 0.00 178.16 178.61 1u8w h ILE 65 N 0.15 0.13 -0.00 1.81 1.08 -0.10 -2.12 117.51 118.47 1u8w h ILE 65 Ca -0.10 -0.18 0.00 0.00 -0.39 0.00 0.00 64.86 64.18 1u8w h ILE 65 Cb 1.52 1.16 0.00 0.00 -3.07 0.00 0.00 36.82 36.42 1u8w h ILE 65 CO 0.16 0.02 -0.83 0.52 -0.69 0.00 0.00 178.15 177.33 1u8w n VAL 66 N -3.23 0.00 0.53 1.67 0.31 -0.96 -4.40 118.33 112.24 1u8w n VAL 66 Ca -0.02 -0.08 0.07 0.00 -0.01 0.00 0.00 64.34 64.30 1u8w n VAL 66 Cb 0.14 1.05 0.33 0.00 -0.91 0.00 0.00 33.84 34.45 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 -1.15 0.00 -3.54 4.52 3.41 -0.79 -4.81 113.62 111.25 1u8w n SER 67 Ca 0.05 0.47 -0.09 0.00 -0.26 0.00 0.00 58.87 59.03 1u8w n SER 67 Cb 0.34 -0.48 -0.03 0.00 -0.26 0.00 0.00 64.21 63.77 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 -2.97 -0.38 0.90 5.00 0.00 -1.26 -5.11 107.32 103.51 1u8w s GLY 68 Ca 0.08 1.47 -0.10 0.00 0.00 0.00 0.00 44.72 46.17 1u8w s GLY 68 CO 0.27 0.65 1.13 2.56 0.00 0.00 0.00 173.10 177.71 1u8w s PRO 69 N -2.21 1.13 0.32 2.90 0.04 -1.26 -4.62 135.00 131.31 1u8w s PRO 69 Ca 0.02 1.45 0.03 0.00 0.04 0.00 0.00 61.00 62.54 1u8w s PRO 69 Cb -0.01 -1.75 -0.04 0.00 0.04 0.00 0.00 34.50 32.74 1u8w s PRO 69 CO -0.04 -2.52 0.12 0.14 0.04 0.00 0.00 177.00 174.75 1u8w s VAL 70 N -2.69 0.58 -0.27 -0.36 -7.23 0.10 -3.81 120.40 106.72 1u8w s VAL 70 Ca 0.66 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.85 1u8w s VAL 70 Cb -0.22 -2.54 0.07 0.00 0.56 0.00 0.00 36.38 34.25 1u8w s VAL 70 CO 0.58 0.00 -0.04 -0.69 -0.31 0.00 0.00 175.10 174.64 1u8w s VAL 71 N -3.48 1.86 0.05 1.32 1.01 -0.86 -0.59 120.40 119.71 1u8w s VAL 71 Ca 0.33 -1.61 -0.18 0.00 0.00 0.00 0.00 61.98 60.53 1u8w s VAL 71 Cb 0.06 -2.14 -0.06 0.00 0.00 0.00 0.00 36.38 34.23 1u8w s VAL 71 CO 0.16 -0.21 0.53 0.00 0.00 0.00 0.00 175.10 175.57 1u8w s ALA 72 N 1.21 3.62 0.07 5.51 0.00 0.16 -1.56 121.76 130.77 1u8w s ALA 72 Ca -0.03 -0.03 -0.06 0.00 0.00 0.00 0.00 51.96 51.84 1u8w s ALA 72 Cb -0.19 -2.57 -0.01 0.00 0.00 0.00 0.00 23.12 20.34 1u8w s ALA 72 CO -0.07 0.42 0.11 -1.64 0.00 0.00 0.00 175.76 174.58 1u8w s MET 73 N -1.10 0.76 -0.10 0.00 -1.94 -0.02 -0.06 119.30 116.83 1u8w s MET 73 Ca 0.28 -1.04 0.01 0.00 -1.71 0.00 0.00 55.69 53.23 1u8w s MET 73 Cb -0.19 0.29 0.02 0.00 2.01 0.00 0.00 34.83 36.96 1u8w s MET 73 CO 0.18 -0.21 -0.11 0.42 -0.01 0.00 0.00 175.02 175.28 1u8w s ILE 74 N -3.83 1.23 -0.04 2.53 1.01 0.98 -2.00 121.20 121.07 1u8w s ILE 74 Ca 0.05 -0.46 0.06 0.00 0.00 0.00 0.00 60.65 60.30 1u8w s ILE 74 Cb 0.06 -1.16 -0.01 0.00 0.01 0.00 0.00 42.46 41.35 1u8w s ILE 74 CO -0.10 0.39 -0.23 0.26 0.00 0.00 0.00 174.94 175.26 1u8w s TRP 75 N 1.20 2.19 0.08 3.97 0.52 -0.86 -0.16 118.94 125.87 1u8w s TRP 75 Ca -0.04 -0.58 0.09 0.00 0.02 0.00 0.00 56.10 55.60 1u8w s TRP 75 Cb -0.14 -1.43 -0.04 0.00 -1.15 0.00 0.00 33.47 30.71 1u8w s TRP 75 CO -0.03 -0.15 -0.23 -2.00 0.02 0.00 0.00 176.95 174.55 1u8w s GLU 76 N -0.23 1.72 0.00 4.98 2.12 0.15 -1.17 118.70 126.27 1u8w s GLU 76 Ca 0.00 -1.17 0.00 0.00 0.36 0.00 0.00 54.97 54.16 1u8w s GLU 76 Cb -0.12 -2.02 0.00 0.00 0.26 0.00 0.00 34.13 32.25 1u8w s GLU 76 CO 0.02 0.49 0.00 0.41 -0.54 0.00 0.00 175.26 175.64 1u8w n GLY 77 N 1.28 2.11 3.68 -1.50 0.00 -0.11 -1.31 105.19 109.33 1u8w n GLY 77 Ca -0.17 -1.30 -0.42 0.00 0.00 0.00 0.00 46.02 44.13 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 -1.97 4.26 -0.92 1.61 1.02 -1.26 -2.73 119.74 119.75 1u8w s LYS 78 Ca 0.00 2.00 0.00 0.00 0.02 0.00 0.00 55.97 57.99 1u8w s LYS 78 Cb 0.00 -3.66 0.00 0.00 -0.52 0.00 0.00 37.83 33.65 1u8w s LYS 78 CO 0.00 -0.64 0.00 0.09 -0.92 0.00 0.00 175.35 173.88 1u8w n ASN 79 N 5.77 -4.38 0.20 2.83 3.02 -1.26 -4.88 115.26 116.55 1u8w n ASN 79 Ca 0.14 0.21 0.16 0.00 -0.03 0.00 0.00 54.58 55.06 1u8w n ASN 79 Cb 0.43 -2.64 0.78 0.00 -0.61 0.00 0.00 39.78 37.75 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 0.62 0.60 2.41 3.04 -1.82 0.18 116.25 121.27 1u8w h VAL 80 Ca -0.18 0.00 -0.03 0.00 -1.01 0.00 0.00 66.70 65.48 1u8w h VAL 80 Cb 0.68 0.87 0.01 0.00 -2.01 0.00 0.00 31.29 30.84 1u8w h VAL 80 CO 0.26 0.00 -0.29 0.58 -1.01 0.00 0.00 177.57 177.11 1u8w h VAL 81 N 0.00 0.00 -0.08 1.51 2.07 -1.86 -0.18 116.25 117.71 1u8w h VAL 81 Ca 0.09 -0.40 -0.14 0.00 0.82 0.00 0.00 66.70 67.07 1u8w h VAL 81 Cb 0.42 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.18 1u8w h VAL 81 CO -0.00 0.00 -0.57 -0.07 0.02 0.00 0.00 177.57 176.95 1u8w h LEU 82 N -1.20 0.28 -0.15 2.57 3.38 -1.82 -2.61 115.31 115.76 1u8w h LEU 82 Ca -0.08 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.72 1u8w h LEU 82 Cb 0.62 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 1u8w h LEU 82 CO 0.13 0.79 0.02 0.74 0.09 0.00 0.00 178.44 180.21 1u8w h THR 83 N 0.19 1.22 -0.96 0.22 2.02 -0.73 0.18 112.91 115.04 1u8w h THR 83 Ca -0.00 -0.72 0.21 0.00 0.77 0.00 0.00 66.41 66.67 1u8w h THR 83 Cb 1.05 1.41 -0.08 0.00 -1.74 0.00 0.00 68.15 68.78 1u8w h THR 83 CO 0.09 0.21 0.62 1.23 0.37 0.00 0.00 175.52 178.04 1u8w h GLY 84 N 0.03 1.25 1.59 2.16 0.00 -0.93 0.45 103.07 107.63 1u8w h GLY 84 Ca 0.05 -0.26 -0.23 0.00 0.00 0.00 0.00 47.33 46.89 1u8w h GLY 84 CO 0.00 -0.04 -0.97 3.21 0.00 0.00 0.00 176.54 178.74 1u8w h ARG 85 N 0.55 0.36 -0.21 4.80 3.08 -1.00 -1.51 114.38 120.45 1u8w h ARG 85 Ca 0.53 -0.41 -0.09 0.00 0.07 0.00 0.00 59.98 60.08 1u8w h ARG 85 Cb 1.11 0.12 -0.01 0.00 0.08 0.00 0.00 29.97 31.27 1u8w h ARG 85 CO -0.27 1.10 -0.24 -0.22 -1.07 0.00 0.00 179.97 179.27 1u8w h LYS 86 N 0.19 0.39 -0.15 0.04 3.64 0.22 -1.05 116.57 119.85 1u8w h LYS 86 Ca -0.08 -0.14 -0.18 0.00 -1.27 0.00 0.00 60.65 58.98 1u8w h LYS 86 Cb 1.62 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 33.41 1u8w h LYS 86 CO 0.16 0.62 -0.63 0.82 -2.27 0.00 0.00 179.45 178.15 1u8w h ILE 87 N 0.35 1.33 -0.21 2.00 2.04 -0.13 -3.23 117.51 119.67 1u8w h ILE 87 Ca 0.05 -1.92 -0.07 0.00 1.00 0.00 0.00 64.86 63.93 1u8w h ILE 87 Cb 0.62 1.89 -0.00 0.00 -0.74 0.00 0.00 36.82 38.59 1u8w h ILE 87 CO 0.04 0.59 -0.13 0.40 0.00 0.00 0.00 178.15 179.06 1u8w h ILE 88 N 0.40 1.31 0.00 -0.67 2.04 -0.90 -0.24 117.51 119.46 1u8w h ILE 88 Ca -0.01 -1.23 0.00 0.00 1.00 0.00 0.00 64.86 64.62 1u8w h ILE 88 Cb 1.19 1.66 0.00 0.00 -0.74 0.00 0.00 36.82 38.94 1u8w h ILE 88 CO 0.12 0.37 0.00 0.61 0.00 0.00 0.00 178.15 179.25 1u8w n GLY 89 N 0.04 1.09 3.50 5.37 0.00 -0.43 -1.05 105.19 113.71 1u8w n GLY 89 Ca -0.05 -1.96 -0.42 0.00 0.00 0.00 0.00 46.02 43.60 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 1.63 -1.00 -0.15 4.61 0.00 -1.26 -4.90 120.51 119.45 1u8w n ALA 90 Ca 0.00 0.19 -0.06 0.00 0.00 0.00 0.00 53.44 53.58 1u8w n ALA 90 Cb 0.00 -1.87 0.03 0.00 0.00 0.00 0.00 19.45 17.61 1u8w n ALA 90 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1u8w h THR 91 N 1.04 1.00 -3.47 0.00 2.02 -1.97 -3.38 112.91 108.14 1u8w h THR 91 Ca -0.41 -0.17 -0.60 0.00 0.77 0.00 0.00 66.41 66.01 1u8w h THR 91 Cb 1.38 0.47 -0.09 0.00 -1.74 0.00 0.00 68.15 68.17 1u8w h THR 91 CO 0.53 0.09 0.55 0.21 0.37 0.00 0.00 175.52 177.27 1u8w s ASN 92 N -5.50 6.67 0.66 4.18 3.84 -1.26 -4.83 114.94 118.70 1u8w s ASN 92 Ca -0.13 0.59 0.35 0.00 0.21 0.00 0.00 52.86 53.88 1u8w s ASN 92 Cb 0.12 -2.45 1.91 0.00 -0.55 0.00 0.00 41.25 40.29 1u8w s ASN 92 CO 0.73 -0.80 2.10 -0.65 -2.79 0.00 0.00 177.10 175.69 1u8w h PRO 93 N 8.39 0.00 0.00 0.43 0.11 -1.80 0.16 132.00 139.29 1u8w h PRO 93 Ca -0.23 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.80 1u8w h PRO 93 Cb 1.08 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 1u8w h PRO 93 CO 0.96 0.00 -0.37 0.00 -0.21 0.00 0.00 178.00 178.38 1u8w h ALA 94 N 1.61 1.09 0.00 -0.75 0.00 -1.91 -3.17 119.26 116.14 1u8w h ALA 94 Ca 0.02 -0.34 -0.08 0.00 0.00 0.00 0.00 54.91 54.51 1u8w h ALA 94 Cb 0.43 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1u8w h ALA 94 CO -0.00 0.46 -1.99 0.00 0.00 0.00 0.00 179.25 177.73 1u8w n ALA 95 N -2.34 2.50 -1.71 0.00 0.00 0.49 -4.97 120.51 114.48 1u8w n ALA 95 Ca -0.01 -0.66 -0.43 0.00 0.00 0.00 0.00 53.44 52.34 1u8w n ALA 95 Cb 0.47 -0.67 -0.03 0.00 0.00 0.00 0.00 19.45 19.22 1u8w n ALA 95 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1u8w n SER 96 N -2.41 3.74 -4.77 0.00 3.41 -0.80 -4.77 113.62 108.01 1u8w n SER 96 Ca -0.10 1.08 -0.39 0.00 -0.26 0.00 0.00 58.87 59.20 1u8w n SER 96 Cb 0.69 -1.54 -0.06 0.00 -0.26 0.00 0.00 64.21 63.05 1u8w n SER 96 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1u8w s GLU 97 N 0.90 4.55 0.21 4.33 0.41 -1.26 -4.49 118.70 123.35 1u8w s GLU 97 Ca 0.75 1.13 -0.32 0.00 -0.41 0.00 0.00 54.97 56.12 1u8w s GLU 97 Cb -0.55 -3.27 -0.14 0.00 -1.78 0.00 0.00 34.13 28.38 1u8w s GLU 97 CO 0.36 0.54 1.31 -2.30 -0.49 0.00 0.00 175.26 174.67 1u8w n PRO 98 N 1.76 1.67 0.00 0.39 -0.02 -1.26 -1.32 135.00 136.22 1u8w n PRO 98 Ca -0.05 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 62.02 1u8w n PRO 98 Cb 0.49 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.78 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 2.11 1.41 3.95 -1.23 0.00 -1.26 -4.98 105.19 105.18 1u8w n GLY 99 Ca 0.13 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.67 3.97 0.08 2.61 -4.23 -0.43 -4.93 115.64 111.03 1u8w s THR 100 Ca 0.00 -0.46 -0.27 0.00 -1.18 0.00 0.00 61.69 59.78 1u8w s THR 100 Cb 0.00 -3.47 -0.17 0.00 1.34 0.00 0.00 72.50 70.20 1u8w s THR 100 CO 0.00 -0.34 1.69 0.40 -0.54 0.00 0.00 174.62 175.83 1u8w h ILE 101 N 0.36 0.73 -0.18 2.99 2.04 -0.93 -0.29 117.51 122.23 1u8w h ILE 101 Ca -0.46 -0.01 -0.11 0.00 1.00 0.00 0.00 64.86 65.29 1u8w h ILE 101 Cb 1.25 0.73 -0.01 0.00 -0.74 0.00 0.00 36.82 38.05 1u8w h ILE 101 CO 0.57 0.00 -0.36 0.03 0.00 0.00 0.00 178.15 178.40 1u8w h ARG 102 N -0.38 0.37 -0.01 2.37 3.08 -1.35 -1.46 114.38 117.00 1u8w h ARG 102 Ca -0.04 -0.17 -0.04 0.00 0.07 0.00 0.00 59.98 59.81 1u8w h ARG 102 Cb 0.29 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.32 1u8w h ARG 102 CO 0.06 0.68 -0.18 0.78 -1.07 0.00 0.00 179.97 180.24 1u8w h GLY 103 N 1.11 0.02 0.60 0.04 0.00 -1.65 0.13 103.07 103.32 1u8w h GLY 103 Ca 0.04 -0.01 -0.18 0.00 0.00 0.00 0.00 47.33 47.17 1u8w h GLY 103 CO 0.06 0.01 -1.72 1.22 0.00 0.00 0.00 176.54 176.11 1u8w n ASP 104 N -4.31 0.52 0.00 0.19 8.00 -0.15 -4.46 116.55 116.34 1u8w n ASP 104 Ca -0.02 0.23 0.00 0.00 0.71 0.00 0.00 54.79 55.71 1u8w n ASP 104 Cb 0.25 0.66 0.00 0.00 -0.02 0.00 0.00 41.12 42.02 1u8w n ASP 104 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1u8w n PHE 105 N -2.75 0.00 -3.05 1.24 3.01 -0.58 -5.09 117.46 110.25 1u8w n PHE 105 Ca -0.14 0.00 -0.30 0.00 1.01 0.00 0.00 57.45 58.03 1u8w n PHE 105 Cb 0.86 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 40.30 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 -1.31 3.46 0.06 4.37 0.00 0.43 -4.99 121.76 123.78 1u8w s ALA 106 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 51.96 51.61 1u8w s ALA 106 Cb 0.00 -2.54 0.00 0.00 0.00 0.00 0.00 23.12 20.58 1u8w s ALA 106 CO 0.00 0.09 0.00 -0.89 0.00 0.00 0.00 175.76 174.96 1u8w n ILE 107 N -1.17 0.04 -3.48 0.00 5.41 -1.26 -4.79 119.36 114.11 1u8w n ILE 107 Ca 0.01 0.01 -0.38 0.00 1.00 0.00 0.00 62.75 63.39 1u8w n ILE 107 Cb 0.54 -0.63 -0.06 0.00 -0.71 0.00 0.00 39.64 38.78 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 -5.03 6.67 0.44 4.38 -1.08 -1.26 -4.54 116.67 116.25 1u8w s ASP 108 Ca 0.00 0.80 0.15 0.00 -0.52 0.00 0.00 52.55 52.98 1u8w s ASP 108 Cb 0.00 -2.23 1.06 0.00 -1.46 0.00 0.00 42.92 40.29 1u8w s ASP 108 CO 0.00 0.20 1.95 0.40 0.52 0.00 0.00 175.17 178.24 1u8w h ILE 109 N 4.19 0.84 0.00 4.11 2.04 -1.99 -0.29 117.51 126.41 1u8w h ILE 109 Ca -0.47 -0.13 0.00 0.00 1.00 0.00 0.00 64.86 65.26 1u8w h ILE 109 Cb 1.20 0.41 0.00 0.00 -0.74 0.00 0.00 36.82 37.69 1u8w h ILE 109 CO 0.68 0.07 0.00 0.61 0.00 0.00 0.00 178.15 179.51 1u8w n GLY 110 N -1.53 -1.24 2.54 5.37 0.00 -1.26 -3.50 105.19 105.57 1u8w n GLY 110 Ca 0.12 -0.10 -0.20 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.41 1.99 0.00 1.61 5.12 -0.13 -4.89 116.66 118.96 1u8w n ARG 111 Ca 0.08 -3.91 0.00 0.00 -1.93 0.00 0.00 57.85 52.10 1u8w n ARG 111 Cb 0.25 -1.82 0.00 0.00 -1.16 0.00 0.00 32.46 29.73 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 -0.06 0.16 0.00 0.55 0.23 -1.19 -4.46 115.26 110.48 1u8w n ASN 112 Ca 0.25 -1.81 0.00 0.00 -0.53 0.00 0.00 54.58 52.49 1u8w n ASN 112 Cb 0.63 -0.08 0.00 0.00 -2.08 0.00 0.00 39.78 38.25 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 -0.40 0.00 -4.28 3.53 0.31 -1.26 -4.80 118.33 111.43 1u8w n VAL 113 Ca 0.00 0.00 -0.15 0.00 -0.01 0.00 0.00 64.34 64.18 1u8w n VAL 113 Cb 0.04 0.00 -0.10 0.00 -0.91 0.00 0.00 33.84 32.87 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 0.33 0.00 2.52 1.01 -1.26 -0.48 121.20 123.32 1u8w s ILE 114 Ca 0.00 -2.00 -0.01 0.00 0.00 0.00 0.00 60.65 58.64 1u8w s ILE 114 Cb 0.00 -2.58 -0.01 0.00 0.01 0.00 0.00 42.46 39.89 1u8w s ILE 114 CO 0.00 0.00 0.01 -2.28 0.00 0.00 0.00 174.94 172.67 1u8w s HIS 115 N -3.88 0.09 -0.00 3.97 5.65 -0.43 -4.87 115.29 115.82 1u8w s HIS 115 Ca 0.38 -0.19 -0.05 0.00 0.25 0.00 0.00 55.06 55.45 1u8w s HIS 115 Cb 0.07 -0.08 -0.00 0.00 -1.18 0.00 0.00 32.58 31.39 1u8w s HIS 115 CO 0.14 -0.11 0.09 0.20 -0.65 0.00 0.00 174.74 174.42 1u8w s GLY 116 N -0.69 0.06 0.28 1.59 0.00 -1.26 -1.24 107.32 106.05 1u8w s GLY 116 Ca -0.08 -0.12 -0.30 0.00 0.00 0.00 0.00 44.72 44.22 1u8w s GLY 116 CO -0.00 -0.22 1.48 1.44 0.00 0.00 0.00 173.10 175.79 1u8w n SER 117 N 1.87 3.26 0.17 1.64 7.64 -0.99 -4.89 113.62 122.33 1u8w n SER 117 Ca -0.20 1.16 0.13 0.00 1.01 0.00 0.00 58.87 60.96 1u8w n SER 117 Cb 0.56 -1.51 0.29 0.00 -1.01 0.00 0.00 64.21 62.54 1u8w n SER 117 CO 0.00 0.00 0.00 -2.24 -3.01 0.00 0.00 175.04 169.79 1u8w h ASP 118 N 4.19 0.00 -5.05 6.43 3.04 -1.93 -3.46 116.42 119.64 1u8w h ASP 118 Ca -0.46 0.00 0.08 0.00 -3.24 0.00 0.00 57.03 53.40 1u8w h ASP 118 Cb 1.25 0.00 -0.05 0.00 -1.04 0.00 0.00 39.33 39.50 1u8w h ASP 118 CO 0.75 0.00 0.28 -0.94 -2.04 0.00 0.00 179.24 177.29 1u8w s SER 119 N -5.49 -0.21 0.37 4.15 1.04 -1.26 -4.96 113.70 107.34 1u8w s SER 119 Ca 0.08 -0.65 0.07 0.00 0.48 0.00 0.00 55.95 55.94 1u8w s SER 119 Cb 0.08 0.71 0.73 0.00 0.10 0.00 0.00 66.02 67.64 1u8w s SER 119 CO 0.63 -1.33 1.92 0.58 0.98 0.00 0.00 173.24 176.02 1u8w h VAL 120 N 2.00 1.17 0.11 5.02 2.07 -1.93 -0.06 116.25 124.63 1u8w h VAL 120 Ca -0.21 -0.70 -0.01 0.00 0.82 0.00 0.00 66.70 66.60 1u8w h VAL 120 Cb 1.25 1.04 0.00 0.00 -1.52 0.00 0.00 31.29 32.06 1u8w h VAL 120 CO 0.26 0.23 -0.05 -0.08 0.02 0.00 0.00 177.57 177.95 1u8w h GLU 121 N 0.36 -0.14 -0.90 1.57 4.22 -1.98 -1.21 114.58 116.50 1u8w h GLU 121 Ca 0.08 0.01 0.17 0.00 0.08 0.00 0.00 59.36 59.70 1u8w h GLU 121 Cb 0.31 0.03 -0.07 0.00 0.50 0.00 0.00 28.75 29.52 1u8w h GLU 121 CO 0.01 -0.09 0.58 0.66 -2.18 0.00 0.00 179.01 177.99 1u8w h SER 122 N -0.16 0.56 -0.20 1.04 4.64 -1.95 -0.36 113.55 117.11 1u8w h SER 122 Ca -0.01 0.05 0.04 0.00 -0.47 0.00 0.00 61.79 61.39 1u8w h SER 122 Cb 0.11 -0.06 -0.04 0.00 -0.31 0.00 0.00 62.40 62.11 1u8w h SER 122 CO 0.02 0.25 -0.03 0.00 -0.87 0.00 0.00 176.83 176.21 1u8w h ALA 123 N 1.61 0.15 -0.91 5.18 0.00 -0.91 0.25 119.26 124.64 1u8w h ALA 123 Ca 0.46 0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.51 1u8w h ALA 123 Cb 0.92 0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.77 1u8w h ALA 123 CO -0.21 -0.46 0.57 0.00 0.00 0.00 0.00 179.25 179.16 1u8w h ARG 124 N 0.02 1.01 0.63 0.00 3.08 0.20 -0.67 114.38 118.65 1u8w h ARG 124 Ca 0.10 -0.06 -0.03 0.00 0.07 0.00 0.00 59.98 60.06 1u8w h ARG 124 Cb 0.14 -0.23 0.01 0.00 0.08 0.00 0.00 29.97 29.97 1u8w h ARG 124 CO -0.19 0.67 -0.30 0.87 -1.07 0.00 0.00 179.97 179.94 1u8w h LYS 125 N 1.04 -0.82 -0.73 0.04 1.57 -0.82 -2.56 116.57 114.28 1u8w h LYS 125 Ca 0.40 0.06 0.11 0.00 -1.87 0.00 0.00 60.65 59.34 1u8w h LYS 125 Cb 0.19 0.19 -0.08 0.00 0.08 0.00 0.00 32.23 32.61 1u8w h LYS 125 CO -0.18 -0.50 0.35 0.93 -0.57 0.00 0.00 179.45 179.48 1u8w h GLU 126 N -1.05 0.57 -0.80 3.15 5.08 -0.35 -1.58 114.58 119.60 1u8w h GLU 126 Ca -0.09 -0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.25 1u8w h GLU 126 Cb 0.70 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.78 1u8w h GLU 126 CO 0.14 0.37 0.52 0.97 -1.00 0.00 0.00 179.01 180.02 1u8w h ILE 127 N 0.58 1.19 -0.31 3.13 6.09 -1.14 -0.78 117.51 126.27 1u8w h ILE 127 Ca 0.37 -0.36 -0.02 0.00 -1.37 0.00 0.00 64.86 63.48 1u8w h ILE 127 Cb 0.43 0.03 -0.01 0.00 0.47 0.00 0.00 36.82 37.74 1u8w h ILE 127 CO -0.30 0.19 0.12 0.00 -3.07 0.00 0.00 178.15 175.09 1u8w h ALA 128 N 1.30 0.40 0.53 0.18 0.00 -0.89 0.19 119.26 120.97 1u8w h ALA 128 Ca 0.30 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 1u8w h ALA 128 Cb -0.10 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 17.58 1u8w h ALA 128 CO -0.07 0.02 -0.25 1.25 0.00 0.00 0.00 179.25 180.19 1u8w h LEU 129 N 0.35 -0.60 -0.47 0.00 5.85 -0.95 -3.03 115.31 116.46 1u8w h LEU 129 Ca 0.10 -0.03 -0.17 0.00 0.84 0.00 0.00 57.88 58.62 1u8w h LEU 129 Cb 0.20 0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.38 1u8w h LEU 129 CO -0.01 -0.35 -0.74 -0.50 -0.34 0.00 0.00 178.44 176.51 1u8w h TRP 130 N -0.82 0.30 -2.52 1.25 4.06 -1.19 -3.38 115.95 113.65 1u8w h TRP 130 Ca -0.07 -0.14 -0.60 0.00 2.06 0.00 0.00 58.89 60.14 1u8w h TRP 130 Cb 0.59 -0.04 -0.41 0.00 -1.00 0.00 0.00 29.16 28.29 1u8w h TRP 130 CO -0.02 0.87 -0.67 1.19 -3.56 0.00 0.00 178.44 176.25 1u8w n PHE 131 N -3.77 2.66 -0.05 0.49 3.01 0.66 -4.92 117.46 115.55 1u8w n PHE 131 Ca -0.03 -4.08 -0.02 0.00 1.01 0.00 0.00 57.45 54.33 1u8w n PHE 131 Cb 0.71 -0.49 0.22 0.00 -0.01 0.00 0.00 39.48 39.92 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 4.75 0.63 0.00 -1.08 0.13 -1.71 -2.75 132.00 131.97 1u8w h PRO 132 Ca 0.17 -0.17 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 1u8w h PRO 132 Cb 0.74 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 31.79 1u8w h PRO 132 CO 0.71 0.68 0.00 -0.25 -0.23 0.00 0.00 178.00 178.91 1u8w n ASP 133 N -4.23 0.00 0.00 1.44 9.92 -1.26 -4.97 116.55 117.45 1u8w n ASP 133 Ca 0.02 -0.29 0.00 0.00 -0.53 0.00 0.00 54.79 53.98 1u8w n ASP 133 Cb 0.29 -0.06 0.00 0.00 -0.64 0.00 0.00 41.12 40.71 1u8w n ASP 133 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1u8w n GLY 134 N -0.20 -0.38 3.97 0.44 0.00 -1.04 -5.00 105.19 102.97 1u8w n GLY 134 Ca 0.09 -1.79 -0.24 0.00 0.00 0.00 0.00 46.02 44.08 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 -1.46 2.00 -0.28 1.61 0.04 -1.26 -4.98 135.00 130.67 1u8w s PRO 135 Ca 0.00 -0.74 -0.10 0.00 0.04 0.00 0.00 61.00 60.20 1u8w s PRO 135 Cb 0.00 -2.30 -0.03 0.00 0.04 0.00 0.00 34.50 32.20 1u8w s PRO 135 CO 0.00 -1.24 0.15 0.08 0.04 0.00 0.00 177.00 176.03 1u8w s VAL 136 N -3.10 4.86 -0.00 -0.36 1.01 0.27 -5.05 120.40 118.03 1u8w s VAL 136 Ca 0.62 -0.08 -0.11 0.00 0.00 0.00 0.00 61.98 62.42 1u8w s VAL 136 Cb -0.08 -3.35 -0.05 0.00 0.00 0.00 0.00 36.38 32.90 1u8w s VAL 136 CO 0.43 0.22 0.35 0.20 0.00 0.00 0.00 175.10 176.30 1u8w s ASN 137 N 1.69 6.66 -0.08 3.32 0.01 -1.26 -4.56 114.94 120.72 1u8w s ASN 137 Ca 0.06 0.79 -0.31 0.00 -0.71 0.00 0.00 52.86 52.70 1u8w s ASN 137 Cb -0.16 -2.18 0.12 0.00 0.41 0.00 0.00 41.25 39.43 1u8w s ASN 137 CO 0.08 0.30 1.00 -1.66 -1.51 0.00 0.00 177.10 175.31 1u8w s TRP 138 N -1.17 -0.27 -0.20 2.20 1.48 -1.26 -5.16 118.94 114.56 1u8w s TRP 138 Ca 0.25 0.20 -0.00 0.00 -1.06 0.00 0.00 56.10 55.48 1u8w s TRP 138 Cb -0.15 0.52 0.01 0.00 -1.16 0.00 0.00 33.47 32.70 1u8w s TRP 138 CO 0.13 -0.41 -0.14 -0.65 -4.06 0.00 0.00 176.95 171.81 1u8w s GLN 139 N -2.73 3.04 0.34 3.25 -0.21 -1.26 -5.09 119.66 117.00 1u8w s GLN 139 Ca 0.06 -0.81 -0.29 0.00 0.02 0.00 0.00 55.36 54.34 1u8w s GLN 139 Cb -0.01 -2.73 -0.11 0.00 1.00 0.00 0.00 33.01 31.16 1u8w s GLN 139 CO -0.07 -0.24 1.52 0.45 -2.12 0.00 0.00 175.29 174.84 1u8w s SER 140 N 1.33 6.37 0.00 5.90 0.15 -1.26 -4.85 113.70 121.34 1u8w s SER 140 Ca 0.04 3.00 0.20 0.00 0.70 0.00 0.00 55.95 59.89 1u8w s SER 140 Cb -0.14 -2.65 0.87 0.00 -1.71 0.00 0.00 66.02 62.38 1u8w s SER 140 CO -0.09 -0.88 1.63 -1.54 1.20 0.00 0.00 173.24 173.56 1u8w n SER 141 N 1.17 0.00 0.03 5.45 3.41 -1.26 -2.20 113.62 120.22 1u8w n SER 141 Ca 0.04 0.44 0.12 0.00 -0.26 0.00 0.00 58.87 59.20 1u8w n SER 141 Cb 0.39 -0.47 0.16 0.00 -0.26 0.00 0.00 64.21 64.02 1u8w n SER 141 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1u8w n VAL 142 N -1.47 0.18 -0.30 -3.33 0.31 -1.26 -4.53 118.33 107.92 1u8w n VAL 142 Ca 0.05 -0.17 0.01 0.00 -0.01 0.00 0.00 64.34 64.23 1u8w n VAL 142 Cb 0.22 0.10 0.06 0.00 -0.91 0.00 0.00 33.84 33.32 1u8w n VAL 142 CO 0.00 0.00 0.00 1.57 -1.32 0.00 0.00 176.83 177.08 1u8w n HIS 143 N -1.85 0.12 0.20 3.52 -0.00 -0.93 0.59 115.22 116.86 1u8w n HIS 143 Ca 0.04 0.97 0.13 0.00 -0.00 0.00 0.00 57.72 58.85 1u8w n HIS 143 Cb 0.40 -0.85 0.68 0.00 -0.00 0.00 0.00 29.99 30.22 1u8w n HIS 143 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1u8w h PRO 144 N 0.00 0.00 -0.00 1.57 0.13 -1.80 -0.07 132.00 131.83 1u8w h PRO 144 Ca 0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.44 1u8w h PRO 144 Cb 0.51 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.64 1u8w h PRO 144 CO -0.79 0.00 -0.73 0.91 -0.23 0.00 0.00 178.00 177.15 1u8w n TRP 145 N -2.38 0.00 -0.04 1.56 7.02 0.20 -4.20 117.44 119.59 1u8w n TRP 145 Ca -0.02 0.00 -0.03 0.00 -1.02 0.00 0.00 57.50 56.43 1u8w n TRP 145 Cb 0.05 0.00 -0.14 0.00 -2.42 0.00 0.00 31.31 28.80 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 -1.06 1.09 -4.49 -0.99 0.31 -0.37 -4.94 118.33 107.88 1u8w n VAL 146 Ca 0.05 -0.74 -0.21 0.00 -0.01 0.00 0.00 64.34 63.42 1u8w n VAL 146 Cb 0.32 -0.49 -0.14 0.00 -0.91 0.00 0.00 33.84 32.61 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 -2.81 1.22 -0.42 3.52 1.51 -0.18 -5.09 117.35 115.09 1u8w s TYR 147 Ca -0.07 -0.28 -0.23 0.00 -1.01 0.00 0.00 57.07 55.47 1u8w s TYR 147 Cb 0.08 -0.75 0.02 0.00 -0.11 0.00 0.00 41.96 41.20 1u8w s TYR 147 CO 0.84 0.01 0.76 -1.83 -1.11 0.00 0.00 175.55 174.22 1u8w s GLU 148 N -0.69 3.49 0.00 -0.62 -1.05 -1.26 -4.56 118.70 114.00 1u8w s GLU 148 Ca 0.04 -0.03 0.00 0.00 -0.15 0.00 0.00 54.97 54.82 1u8w s GLU 148 Cb -0.06 -3.90 0.00 0.00 -0.44 0.00 0.00 34.13 29.72 1u8w s GLU 148 CO 0.00 -1.03 0.00 2.41 0.95 0.00 0.00 175.26 177.60