#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u8w s GLU 2 N 0.00 3.23 0.03 2.12 2.12 -1.24 -4.73 118.70 120.22 1u8w s GLU 2 Ca 0.00 1.65 0.05 0.00 0.36 0.00 0.00 54.97 57.03 1u8w s GLU 2 Cb 0.00 -1.98 -0.02 0.00 0.26 0.00 0.00 34.13 32.39 1u8w s GLU 2 CO 0.00 -0.96 -0.15 -0.65 -0.54 0.00 0.00 175.26 172.97 1u8w s GLN 3 N -3.34 1.02 0.17 4.30 -0.21 -1.26 -0.90 119.66 119.44 1u8w s GLN 3 Ca 0.74 -0.70 0.04 0.00 0.02 0.00 0.00 55.36 55.46 1u8w s GLN 3 Cb -0.25 -1.03 -0.05 0.00 1.00 0.00 0.00 33.01 32.68 1u8w s GLN 3 CO 0.29 0.26 -0.06 -0.08 -2.12 0.00 0.00 175.29 173.58 1u8w s THR 4 N -0.69 1.05 -0.20 -0.19 -1.32 0.75 -4.76 115.64 110.27 1u8w s THR 4 Ca 0.03 -2.04 -0.07 0.00 -1.21 0.00 0.00 61.69 58.40 1u8w s THR 4 Cb -0.07 -2.01 -0.04 0.00 -1.51 0.00 0.00 72.50 68.88 1u8w s THR 4 CO 0.01 -0.61 0.07 0.12 -2.21 0.00 0.00 174.62 172.00 1u8w s PHE 5 N -3.41 3.19 -0.08 9.09 5.36 -1.26 -1.56 117.98 129.31 1u8w s PHE 5 Ca 0.20 -0.08 0.03 0.00 -0.96 0.00 0.00 56.93 56.12 1u8w s PHE 5 Cb 0.04 -2.13 0.01 0.00 -0.34 0.00 0.00 43.02 40.60 1u8w s PHE 5 CO 0.03 -0.02 -0.16 0.42 -1.46 0.00 0.00 175.22 174.03 1u8w s ILE 6 N 0.79 1.45 -0.06 3.12 1.09 -0.81 -1.81 121.20 124.98 1u8w s ILE 6 Ca 0.03 -0.66 0.02 0.00 -1.10 0.00 0.00 60.65 58.94 1u8w s ILE 6 Cb -0.13 -1.30 0.02 0.00 -1.06 0.00 0.00 42.46 39.99 1u8w s ILE 6 CO 0.02 0.43 -0.09 -0.32 -0.10 0.00 0.00 174.94 174.88 1u8w s MET 7 N 0.58 1.36 -0.27 2.79 1.75 -0.57 -0.38 119.30 124.56 1u8w s MET 7 Ca -0.15 -0.29 -0.22 0.00 -1.25 0.00 0.00 55.69 53.77 1u8w s MET 7 Cb -0.16 -1.18 -0.01 0.00 2.84 0.00 0.00 34.83 36.31 1u8w s MET 7 CO 0.05 -0.02 0.70 0.42 -0.65 0.00 0.00 175.02 175.53 1u8w s ILE 8 N 0.76 4.91 0.86 10.11 1.01 0.54 -1.02 121.20 138.37 1u8w s ILE 8 Ca -0.13 1.19 -0.12 0.00 0.00 0.00 0.00 60.65 61.59 1u8w s ILE 8 Cb -0.15 -4.02 0.10 0.00 0.01 0.00 0.00 42.46 38.40 1u8w s ILE 8 CO 0.02 -0.07 1.10 -0.54 0.00 0.00 0.00 174.94 175.45 1u8w s LYS 9 N 2.67 1.60 0.30 2.79 1.02 0.85 -1.57 119.74 127.40 1u8w s LYS 9 Ca 0.29 0.67 0.04 0.00 0.02 0.00 0.00 55.97 56.99 1u8w s LYS 9 Cb -0.15 -1.86 0.79 0.00 -0.52 0.00 0.00 37.83 36.09 1u8w s LYS 9 CO 0.09 -1.96 1.62 -1.35 -0.92 0.00 0.00 175.35 172.83 1u8w h PRO 10 N -1.34 0.13 -0.25 -1.68 0.11 -1.84 0.14 132.00 127.27 1u8w h PRO 10 Ca -0.49 -0.01 -0.12 0.00 0.11 0.00 0.00 66.00 65.50 1u8w h PRO 10 Cb 1.28 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 1u8w h PRO 10 CO 0.58 0.09 -0.33 0.38 -0.21 0.00 0.00 178.00 178.50 1u8w h ASP 11 N 0.13 0.56 -0.89 -2.05 2.03 -1.88 -1.32 116.42 112.99 1u8w h ASP 11 Ca 0.60 -0.22 0.02 0.00 -0.73 0.00 0.00 57.03 56.70 1u8w h ASP 11 Cb 1.27 -0.15 -0.05 0.00 -0.83 0.00 0.00 39.33 39.57 1u8w h ASP 11 CO -0.74 0.85 0.59 1.23 -1.03 0.00 0.00 179.24 180.14 1u8w h GLY 12 N 1.05 1.27 0.90 7.15 0.00 -0.88 0.27 103.07 112.83 1u8w h GLY 12 Ca 0.05 -0.45 -0.14 0.00 0.00 0.00 0.00 47.33 46.79 1u8w h GLY 12 CO 0.06 0.42 -0.47 -2.08 0.00 0.00 0.00 176.54 174.47 1u8w h VAL 13 N 1.16 1.35 -0.14 4.60 2.07 -1.24 -1.07 116.25 122.99 1u8w h VAL 13 Ca 0.34 -1.76 -0.07 0.00 0.82 0.00 0.00 66.70 66.03 1u8w h VAL 13 Cb -0.06 2.08 -0.01 0.00 -1.52 0.00 0.00 31.29 31.77 1u8w h VAL 13 CO -0.09 0.53 -0.24 1.56 0.02 0.00 0.00 177.57 179.36 1u8w h GLN 14 N 0.19 0.25 -0.58 1.57 1.08 -0.73 -2.62 115.11 114.25 1u8w h GLN 14 Ca -0.02 -0.08 0.00 0.00 -1.45 0.00 0.00 58.65 57.10 1u8w h GLN 14 Cb 1.10 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 28.51 1u8w h GLN 14 CO 0.10 0.48 0.00 0.54 -0.95 0.00 0.00 178.83 179.00 1u8w n ARG 15 N -4.17 2.46 -3.81 1.46 1.74 0.90 -4.93 116.66 110.30 1u8w n ARG 15 Ca -0.01 -1.51 -0.26 0.00 -0.77 0.00 0.00 57.85 55.30 1u8w n ARG 15 Cb 0.35 -1.60 0.03 0.00 -1.02 0.00 0.00 32.46 30.22 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 0.72 -0.39 0.88 -0.13 0.00 -0.99 -4.90 105.19 100.38 1u8w n GLY 16 Ca 0.14 0.16 0.08 0.00 0.00 0.00 0.00 46.02 46.40 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 -4.50 3.13 0.29 0.99 4.77 -0.42 -4.68 117.00 116.59 1u8w n LEU 17 Ca -0.12 -1.75 -0.17 0.00 -0.03 0.00 0.00 56.01 53.94 1u8w n LEU 17 Cb 0.60 -0.26 -0.08 0.00 -2.33 0.00 0.00 43.42 41.35 1u8w n LEU 17 CO 0.72 0.74 0.64 0.40 -1.33 0.00 0.00 177.39 178.56 1u8w h ILE 18 N 3.09 0.30 -0.55 -0.08 2.04 -1.90 -1.03 117.51 119.38 1u8w h ILE 18 Ca 0.00 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.90 1u8w h ILE 18 Cb 0.81 0.30 -0.04 0.00 -0.74 0.00 0.00 36.82 37.15 1u8w h ILE 18 CO 0.00 0.00 0.30 1.23 0.00 0.00 0.00 178.15 179.68 1u8w h GLY 19 N -0.82 0.78 0.76 5.37 0.00 -1.96 -2.50 103.07 104.70 1u8w h GLY 19 Ca -0.06 -0.22 0.04 0.00 0.00 0.00 0.00 47.33 47.10 1u8w h GLY 19 CO 0.04 0.15 0.32 -2.09 0.00 0.00 0.00 176.54 174.96 1u8w h GLU 20 N 0.59 0.60 0.27 4.80 4.57 -1.82 -1.65 114.58 121.94 1u8w h GLU 20 Ca 0.24 -0.04 -0.00 0.00 -1.18 0.00 0.00 59.36 58.38 1u8w h GLU 20 Cb 0.10 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 28.54 1u8w h GLU 20 CO -0.14 0.39 -0.22 0.28 -1.18 0.00 0.00 179.01 178.15 1u8w h VAL 21 N 0.61 0.53 -0.28 0.32 2.07 -0.77 -2.55 116.25 116.19 1u8w h VAL 21 Ca 0.25 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.84 1u8w h VAL 21 Cb 0.12 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 30.41 1u8w h VAL 21 CO -0.15 0.00 0.20 0.40 0.02 0.00 0.00 177.57 178.04 1u8w h ILE 22 N -0.50 0.88 -0.59 4.57 2.04 -1.20 -2.19 117.51 120.52 1u8w h ILE 22 Ca -0.02 -0.01 -0.05 0.00 1.00 0.00 0.00 64.86 65.78 1u8w h ILE 22 Cb 0.45 0.84 -0.02 0.00 -0.74 0.00 0.00 36.82 37.34 1u8w h ILE 22 CO -0.02 0.01 0.17 0.00 0.00 0.00 0.00 178.15 178.31 1u8w h ARG 24 N 0.84 -0.07 -0.14 0.00 3.08 -1.27 0.13 114.38 116.94 1u8w h ARG 24 Ca 0.19 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.16 1u8w h ARG 24 Cb 0.30 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.36 1u8w h ARG 24 CO -0.00 -0.05 -0.29 0.74 -1.07 0.00 0.00 179.97 179.30 1u8w h PHE 25 N -0.07 0.29 -0.09 3.04 0.04 -1.47 -2.10 116.94 116.58 1u8w h PHE 25 Ca 0.03 -0.06 -0.05 0.00 2.80 0.00 0.00 57.97 60.69 1u8w h PHE 25 Cb 0.11 -0.07 -0.00 0.00 2.20 0.00 0.00 35.95 38.19 1u8w h PHE 25 CO -0.13 0.53 -0.13 0.93 -0.60 0.00 0.00 178.31 178.91 1u8w h GLU 26 N 0.23 0.25 -0.80 1.51 5.08 -0.79 -2.65 114.58 117.43 1u8w h GLU 26 Ca 0.03 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 1u8w h GLU 26 Cb 0.63 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.86 1u8w h GLU 26 CO 0.05 0.71 0.51 0.87 -1.00 0.00 0.00 179.01 180.15 1u8w h LYS 27 N -0.19 1.06 0.00 2.33 1.57 -0.65 -1.90 116.57 118.80 1u8w h LYS 27 Ca 0.01 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 1u8w h LYS 27 Cb 0.69 -0.23 -0.00 0.00 0.08 0.00 0.00 32.23 32.76 1u8w h LYS 27 CO 0.03 0.72 -0.04 -0.22 -0.57 0.00 0.00 179.45 179.37 1u8w h LYS 28 N 1.09 0.00 0.00 3.15 1.63 -1.40 -3.46 116.57 117.58 1u8w h LYS 28 Ca 0.29 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.09 1u8w h LYS 28 Cb -0.09 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.54 1u8w h LYS 28 CO -0.06 0.04 0.00 0.41 -3.45 0.00 0.00 179.45 176.39 1u8w n GLY 29 N -1.10 0.90 3.82 5.01 0.00 -0.71 -5.10 105.19 108.01 1u8w n GLY 29 Ca -0.03 0.00 -0.30 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 2.93 -0.19 1.61 0.08 -1.00 -5.00 117.98 114.41 1u8w s PHE 30 Ca 0.00 1.13 -0.03 0.00 0.12 0.00 0.00 56.93 58.14 1u8w s PHE 30 Cb 0.00 -3.11 -0.01 0.00 -0.57 0.00 0.00 43.02 39.32 1u8w s PHE 30 CO 0.00 -1.65 -0.05 0.99 -0.10 0.00 0.00 175.22 174.41 1u8w s THR 31 N -3.20 3.47 -0.23 0.64 2.01 -0.06 -4.68 115.64 113.58 1u8w s THR 31 Ca 0.60 -0.48 -0.29 0.00 0.31 0.00 0.00 61.69 61.83 1u8w s THR 31 Cb -0.14 -2.55 -0.00 0.00 0.01 0.00 0.00 72.50 69.82 1u8w s THR 31 CO 0.54 0.45 1.25 -0.22 -0.69 0.00 0.00 174.62 175.95 1u8w s LEU 32 N 1.05 4.04 0.00 4.42 2.96 -1.26 -0.88 118.68 129.01 1u8w s LEU 32 Ca 0.01 1.44 0.04 0.00 -0.22 0.00 0.00 54.13 55.39 1u8w s LEU 32 Cb -0.15 -3.54 0.07 0.00 0.50 0.00 0.00 46.19 43.08 1u8w s LEU 32 CO 0.00 -0.89 0.89 0.29 -1.32 0.00 0.00 176.35 175.32 1u8w n LYS 33 N 6.88 1.48 -3.64 1.98 4.76 0.86 -4.95 118.16 125.54 1u8w n LYS 33 Ca 0.14 -1.28 -0.10 0.00 -2.87 0.00 0.00 58.31 54.20 1u8w n LYS 33 Cb 0.46 -1.09 -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 -0.71 -0.27 -0.28 0.72 0.00 -1.18 -0.64 107.32 104.96 1u8w s GLY 34 Ca 0.07 2.51 -0.19 0.00 0.00 0.00 0.00 44.72 47.11 1u8w s GLY 34 CO 0.05 1.85 0.94 -2.27 0.00 0.00 0.00 173.10 173.67 1u8w s LEU 35 N 0.34 -0.56 -0.23 0.66 2.96 -1.24 -1.11 118.68 119.50 1u8w s LEU 35 Ca 0.02 0.96 -0.28 0.00 -0.22 0.00 0.00 54.13 54.61 1u8w s LEU 35 Cb -0.05 1.91 0.14 0.00 0.50 0.00 0.00 46.19 48.69 1u8w s LEU 35 CO -0.05 -0.16 1.09 -1.59 -1.32 0.00 0.00 176.35 174.33 1u8w s LYS 36 N 1.01 0.45 -0.24 1.98 -2.85 -0.33 -4.98 119.74 114.78 1u8w s LYS 36 Ca -0.05 0.28 -0.16 0.00 -1.00 0.00 0.00 55.97 55.04 1u8w s LYS 36 Cb -0.04 0.22 -0.04 0.00 -2.06 0.00 0.00 37.83 35.91 1u8w s LYS 36 CO -0.12 -0.11 0.42 -1.17 0.10 0.00 0.00 175.35 174.47 1u8w s LEU 37 N -0.52 4.09 0.04 2.77 0.20 -1.26 -0.78 118.68 123.22 1u8w s LEU 37 Ca 0.02 0.44 -0.13 0.00 0.69 0.00 0.00 54.13 55.15 1u8w s LEU 37 Cb -0.03 -2.52 0.02 0.00 -0.43 0.00 0.00 46.19 43.23 1u8w s LEU 37 CO -0.04 -0.17 0.28 0.27 -0.29 0.00 0.00 176.35 176.40 1u8w s ILE 38 N 1.83 0.09 -0.14 6.68 -4.36 0.35 -4.96 121.20 120.70 1u8w s ILE 38 Ca 0.18 -0.71 -0.05 0.00 -0.26 0.00 0.00 60.65 59.81 1u8w s ILE 38 Cb -0.15 -0.90 -0.04 0.00 1.25 0.00 0.00 42.46 42.62 1u8w s ILE 38 CO 0.09 -0.39 0.04 -0.44 0.24 0.00 0.00 174.94 174.48 1u8w s SER 39 N -2.01 5.53 0.09 4.36 0.01 -1.26 0.38 113.70 120.80 1u8w s SER 39 Ca -0.06 0.14 -0.08 0.00 1.31 0.00 0.00 55.95 57.27 1u8w s SER 39 Cb -0.01 -1.79 -0.06 0.00 0.21 0.00 0.00 66.02 64.37 1u8w s SER 39 CO -0.03 0.28 0.37 -0.69 0.41 0.00 0.00 173.24 173.58 1u8w s VAL 40 N -0.28 5.15 0.68 3.43 1.01 -1.26 -5.02 120.40 124.11 1u8w s VAL 40 Ca 0.08 0.26 -0.05 0.00 0.00 0.00 0.00 61.98 62.27 1u8w s VAL 40 Cb -0.12 -3.62 0.06 0.00 0.00 0.00 0.00 36.38 32.70 1u8w s VAL 40 CO 0.02 0.21 0.97 -1.61 0.00 0.00 0.00 175.10 174.69 1u8w s GLU 41 N -2.15 2.20 0.06 2.72 2.02 -1.26 -4.77 118.70 117.52 1u8w s GLU 41 Ca 0.35 -0.42 -0.30 0.00 0.02 0.00 0.00 54.97 54.62 1u8w s GLU 41 Cb -0.13 -2.24 -0.18 0.00 0.10 0.00 0.00 34.13 31.68 1u8w s GLU 41 CO 0.20 -1.17 1.55 0.00 0.02 0.00 0.00 175.26 175.86 1u8w h ARG 42 N -0.48 -0.64 -0.89 1.61 2.47 -1.99 -2.59 114.38 111.88 1u8w h ARG 42 Ca -0.43 0.04 0.17 0.00 -1.26 0.00 0.00 59.98 58.50 1u8w h ARG 42 Cb 1.31 0.15 -0.10 0.00 -1.65 0.00 0.00 29.97 29.67 1u8w h ARG 42 CO 0.57 -0.39 0.46 0.66 0.56 0.00 0.00 179.97 181.83 1u8w h SER 43 N -0.74 0.54 0.06 7.04 4.64 -2.00 -1.72 113.55 121.38 1u8w h SER 43 Ca -0.07 0.10 -0.00 0.00 -0.47 0.00 0.00 61.79 61.35 1u8w h SER 43 Cb 0.55 0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.66 1u8w h SER 43 CO 0.11 0.19 -0.03 0.15 -0.87 0.00 0.00 176.83 176.38 1u8w h PHE 44 N 0.61 -0.08 -0.52 4.77 3.57 -1.94 -2.26 116.94 121.08 1u8w h PHE 44 Ca 0.50 -0.00 0.10 0.00 3.53 0.00 0.00 57.97 62.10 1u8w h PHE 44 Cb 0.78 0.03 -0.08 0.00 2.79 0.00 0.00 35.95 39.46 1u8w h PHE 44 CO -0.08 0.31 0.03 0.00 -2.23 0.00 0.00 178.31 176.33 1u8w h ALA 45 N 0.42 0.53 -0.87 2.41 0.00 -1.05 0.34 119.26 121.04 1u8w h ALA 45 Ca -0.01 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1u8w h ALA 45 Cb 0.42 0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.41 1u8w h ALA 45 CO 0.01 -0.37 0.55 0.93 0.00 0.00 0.00 179.25 180.38 1u8w h GLU 46 N 0.15 1.16 -0.40 0.00 5.08 -1.33 0.11 114.58 119.35 1u8w h GLU 46 Ca 0.27 -0.09 -0.11 0.00 -1.00 0.00 0.00 59.36 58.43 1u8w h GLU 46 Cb 0.40 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 1u8w h GLU 46 CO -0.42 0.79 -0.18 -0.22 -1.00 0.00 0.00 179.01 177.98 1u8w h LYS 47 N 1.18 0.76 -0.19 2.33 3.64 -0.53 1.03 116.57 124.78 1u8w h LYS 47 Ca 0.31 -0.28 -0.09 0.00 -1.27 0.00 0.00 60.65 59.32 1u8w h LYS 47 Cb -0.09 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.67 1u8w h LYS 47 CO -0.06 0.89 -0.28 1.25 -2.27 0.00 0.00 179.45 178.97 1u8w h HIS 48 N 0.67 0.41 -0.56 1.91 2.76 0.34 -2.58 115.15 118.10 1u8w h HIS 48 Ca 0.10 -0.09 0.00 0.00 -2.20 0.00 0.00 60.37 58.18 1u8w h HIS 48 Cb 0.68 -0.10 0.00 0.00 1.55 0.00 0.00 27.41 29.54 1u8w h HIS 48 CO 0.03 0.62 0.00 0.66 -1.30 0.00 0.00 177.93 177.94 1u8w n TYR 49 N -4.12 0.73 -0.22 5.26 4.01 0.30 -4.68 117.16 118.45 1u8w n TYR 49 Ca -0.01 -0.38 0.02 0.00 -0.16 0.00 0.00 57.90 57.38 1u8w n TYR 49 Cb 0.41 -0.00 0.07 0.00 -0.31 0.00 0.00 39.34 39.50 1u8w n TYR 49 CO 0.00 0.00 0.00 -1.91 -0.46 0.00 0.00 176.86 174.49 1u8w n GLU 50 N 1.55 -0.08 -0.73 -0.72 2.13 0.35 -1.20 120.64 121.94 1u8w n GLU 50 Ca 0.22 0.94 -0.12 0.00 0.66 0.00 0.00 57.16 58.86 1u8w n GLU 50 Cb 0.61 -1.40 -0.10 0.00 0.27 0.00 0.00 31.44 30.82 1u8w n GLU 50 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1u8w n ASP 51 N -4.95 4.07 0.00 4.31 10.43 -1.26 -1.39 116.55 127.76 1u8w n ASP 51 Ca 0.09 -2.22 0.00 0.00 2.57 0.00 0.00 54.79 55.23 1u8w n ASP 51 Cb 0.28 -1.03 0.00 0.00 1.84 0.00 0.00 41.12 42.21 1u8w n ASP 51 CO 0.00 0.00 0.00 0.18 -1.07 0.00 0.00 177.20 176.31 1u8w n LEU 52 N 2.90 0.00 -0.37 0.64 4.77 -0.34 -4.99 117.00 119.61 1u8w n LEU 52 Ca 0.34 -0.02 0.33 0.00 -0.03 0.00 0.00 56.01 56.64 1u8w n LEU 52 Cb 0.55 0.00 0.67 0.00 -2.33 0.00 0.00 43.42 42.31 1u8w n LEU 52 CO 0.26 0.10 1.29 0.77 -1.33 0.00 0.00 177.39 178.48 1u8w h SER 53 N 0.00 0.17 -2.53 -1.43 4.64 -1.25 -2.22 113.55 110.93 1u8w h SER 53 Ca 0.00 0.04 -0.76 0.00 -0.47 0.00 0.00 61.79 60.61 1u8w h SER 53 Cb 0.09 0.02 -0.31 0.00 -0.31 0.00 0.00 62.40 61.88 1u8w h SER 53 CO 0.00 0.00 0.51 -1.54 -0.87 0.00 0.00 176.83 174.94 1u8w n SER 54 N -4.37 6.14 -3.91 4.97 3.41 -1.26 -4.89 113.62 113.71 1u8w n SER 54 Ca 0.28 -3.54 -0.10 0.00 -0.26 0.00 0.00 58.87 55.26 1u8w n SER 54 Cb 1.21 -1.08 -0.10 0.00 -0.26 0.00 0.00 64.21 63.99 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 -3.31 0.44 0.20 4.33 -0.14 -0.84 -5.05 119.74 115.37 1u8w s LYS 55 Ca 0.37 -0.51 -0.10 0.00 -1.36 0.00 0.00 55.97 54.37 1u8w s LYS 55 Cb 0.13 0.18 0.26 0.00 -1.68 0.00 0.00 37.83 36.71 1u8w s LYS 55 CO -0.01 -0.10 1.75 0.66 -0.76 0.00 0.00 175.35 176.90 1u8w h SER 56 N 4.32 0.26 0.84 2.83 4.64 -1.93 -2.70 113.55 121.81 1u8w h SER 56 Ca -0.31 0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 1u8w h SER 56 Cb 1.20 0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1u8w h SER 56 CO 0.42 0.16 -0.08 2.22 -0.87 0.00 0.00 176.83 178.68 1u8w n PHE 57 N -4.97 0.00 -0.31 4.77 1.16 -1.26 -4.41 117.46 112.44 1u8w n PHE 57 Ca 0.08 0.00 -0.07 0.00 -1.87 0.00 0.00 57.45 55.60 1u8w n PHE 57 Cb 0.25 -0.42 -0.02 0.00 -1.61 0.00 0.00 39.48 37.68 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 0.03 -1.34 -0.85 2.97 3.57 -1.70 0.19 116.94 119.81 1u8w h PHE 58 Ca 0.00 0.10 0.16 0.00 3.53 0.00 0.00 57.97 61.76 1u8w h PHE 58 Cb 0.46 0.70 -0.06 0.00 2.79 0.00 0.00 35.95 39.84 1u8w h PHE 58 CO 0.00 -0.41 0.56 0.66 -2.23 0.00 0.00 178.31 176.89 1u8w h SER 59 N -0.11 0.49 -0.01 0.41 4.64 -1.81 -1.84 113.55 115.34 1u8w h SER 59 Ca 0.23 0.04 -0.00 0.00 -0.47 0.00 0.00 61.79 61.58 1u8w h SER 59 Cb 0.54 -0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 62.57 1u8w h SER 59 CO -0.84 0.24 -0.00 1.23 -0.87 0.00 0.00 176.83 176.59 1u8w h GLY 60 N 0.51 0.01 0.44 -0.77 0.00 -0.94 -2.26 103.07 100.07 1u8w h GLY 60 Ca 0.43 -0.01 0.16 0.00 0.00 0.00 0.00 47.33 47.91 1u8w h GLY 60 CO -0.17 0.01 0.58 1.41 0.00 0.00 0.00 176.54 178.37 1u8w h LEU 61 N -0.41 0.63 0.01 3.11 4.07 -0.52 -1.45 115.31 120.75 1u8w h LEU 61 Ca 0.00 0.05 -0.00 0.00 0.08 0.00 0.00 57.88 58.01 1u8w h LEU 61 Cb 0.43 -0.07 0.00 0.00 1.08 0.00 0.00 40.66 42.10 1u8w h LEU 61 CO 0.00 0.30 -0.00 0.58 -1.08 0.00 0.00 178.44 178.23 1u8w h VAL 62 N 0.65 1.43 -0.65 1.22 2.07 -1.40 -2.23 116.25 117.34 1u8w h VAL 62 Ca 0.47 -1.34 0.13 0.00 0.82 0.00 0.00 66.70 66.78 1u8w h VAL 62 Cb 0.82 2.34 -0.10 0.00 -1.52 0.00 0.00 31.29 32.83 1u8w h VAL 62 CO -0.22 0.35 0.14 0.44 0.02 0.00 0.00 177.57 178.29 1u8w h ASP 63 N -0.59 -0.01 0.04 0.57 5.19 -0.75 -2.40 116.42 118.47 1u8w h ASP 63 Ca -0.00 0.13 -0.00 0.00 -0.62 0.00 0.00 57.03 56.53 1u8w h ASP 63 Cb 0.58 0.18 0.00 0.00 0.18 0.00 0.00 39.33 40.26 1u8w h ASP 63 CO 0.00 -0.02 -0.02 0.22 -3.12 0.00 0.00 179.24 176.31 1u8w h TYR 64 N 0.26 -0.05 0.00 4.55 3.20 -1.34 -0.82 116.97 122.76 1u8w h TYR 64 Ca 0.35 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.22 1u8w h TYR 64 Cb 0.56 0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.84 1u8w h TYR 64 CO -0.26 0.32 0.00 1.51 -1.64 0.00 0.00 178.16 178.09 1u8w n ILE 65 N -4.94 1.06 0.70 1.81 3.06 -0.84 -1.10 119.36 119.11 1u8w n ILE 65 Ca -0.08 0.52 0.07 0.00 -2.50 0.00 0.00 62.75 60.76 1u8w n ILE 65 Cb 0.21 -1.49 -0.08 0.00 0.54 0.00 0.00 39.64 38.82 1u8w n ILE 65 CO 0.00 0.00 0.00 0.52 -2.50 0.00 0.00 176.55 174.57 1u8w n VAL 66 N -2.14 0.00 1.08 9.51 0.31 -0.92 -4.42 118.33 121.74 1u8w n VAL 66 Ca 0.00 -0.15 0.04 0.00 -0.01 0.00 0.00 64.34 64.22 1u8w n VAL 66 Cb 0.10 1.00 0.23 0.00 -0.91 0.00 0.00 33.84 34.27 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 -1.33 0.00 0.00 4.52 3.41 -0.26 -4.82 113.62 115.14 1u8w n SER 67 Ca 0.03 -0.83 0.00 0.00 -0.26 0.00 0.00 58.87 57.81 1u8w n SER 67 Cb 0.23 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.18 1u8w n SER 67 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1u8w n GLY 68 N 0.06 0.97 3.76 5.00 0.00 -1.26 -5.08 105.19 108.64 1u8w n GLY 68 Ca 0.06 -0.76 -0.32 0.00 0.00 0.00 0.00 46.02 44.99 1u8w n GLY 68 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1u8w s PRO 69 N -2.00 2.54 0.22 1.61 0.04 -1.26 -4.67 135.00 131.48 1u8w s PRO 69 Ca 0.00 1.34 0.03 0.00 0.04 0.00 0.00 61.00 62.41 1u8w s PRO 69 Cb 0.00 -1.92 -0.05 0.00 0.04 0.00 0.00 34.50 32.57 1u8w s PRO 69 CO 0.00 -1.44 0.02 0.14 0.04 0.00 0.00 177.00 175.75 1u8w s VAL 70 N -2.51 0.83 -0.28 -0.36 -7.23 0.16 -4.00 120.40 107.01 1u8w s VAL 70 Ca 0.65 -2.01 -0.03 0.00 -1.81 0.00 0.00 61.98 58.78 1u8w s VAL 70 Cb -0.20 -2.33 0.03 0.00 0.56 0.00 0.00 36.38 34.44 1u8w s VAL 70 CO 0.47 -0.31 0.00 -0.69 -0.31 0.00 0.00 175.10 174.26 1u8w s VAL 71 N -3.56 3.23 -0.04 1.32 1.01 -0.61 -0.49 120.40 121.26 1u8w s VAL 71 Ca 0.29 -1.05 -0.10 0.00 0.00 0.00 0.00 61.98 61.12 1u8w s VAL 71 Cb 0.06 -2.72 -0.05 0.00 0.00 0.00 0.00 36.38 33.68 1u8w s VAL 71 CO 0.08 0.06 0.29 0.00 0.00 0.00 0.00 175.10 175.53 1u8w s ALA 72 N 1.35 3.79 0.09 5.51 0.00 0.04 -0.34 121.76 132.21 1u8w s ALA 72 Ca -0.01 -0.45 -0.08 0.00 0.00 0.00 0.00 51.96 51.42 1u8w s ALA 72 Cb -0.18 -2.17 -0.00 0.00 0.00 0.00 0.00 23.12 20.77 1u8w s ALA 72 CO -0.01 0.57 0.18 -1.64 0.00 0.00 0.00 175.76 174.85 1u8w s MET 73 N -1.25 0.84 -0.13 0.00 -1.94 0.48 -1.19 119.30 116.12 1u8w s MET 73 Ca 0.22 -0.99 0.02 0.00 -1.71 0.00 0.00 55.69 53.23 1u8w s MET 73 Cb -0.14 0.34 0.01 0.00 2.01 0.00 0.00 34.83 37.05 1u8w s MET 73 CO 0.11 -0.26 -0.18 0.42 -0.01 0.00 0.00 175.02 175.09 1u8w s ILE 74 N -3.87 1.80 -0.07 2.53 1.01 -0.27 -1.93 121.20 120.41 1u8w s ILE 74 Ca 0.06 -0.82 0.05 0.00 0.00 0.00 0.00 60.65 59.94 1u8w s ILE 74 Cb 0.05 -1.62 -0.01 0.00 0.01 0.00 0.00 42.46 40.89 1u8w s ILE 74 CO -0.10 0.50 -0.24 0.26 0.00 0.00 0.00 174.94 175.36 1u8w s TRP 75 N 1.00 2.42 -0.03 3.97 0.52 -0.60 -0.10 118.94 126.12 1u8w s TRP 75 Ca -0.04 -0.83 0.07 0.00 0.02 0.00 0.00 56.10 55.31 1u8w s TRP 75 Cb -0.15 -1.60 -0.02 0.00 -1.15 0.00 0.00 33.47 30.55 1u8w s TRP 75 CO -0.04 -0.30 -0.24 -2.00 0.02 0.00 0.00 176.95 174.39 1u8w s GLU 76 N 0.07 2.28 0.00 4.98 2.12 -0.06 -0.18 118.70 127.91 1u8w s GLU 76 Ca -0.10 -0.90 0.00 0.00 0.36 0.00 0.00 54.97 54.33 1u8w s GLU 76 Cb -0.15 -2.11 0.00 0.00 0.26 0.00 0.00 34.13 32.12 1u8w s GLU 76 CO 0.06 0.52 0.00 0.41 -0.54 0.00 0.00 175.26 175.70 1u8w n GLY 77 N 2.57 1.99 3.70 -1.50 0.00 -0.08 -0.88 105.19 110.99 1u8w n GLY 77 Ca -0.17 -0.97 -0.42 0.00 0.00 0.00 0.00 46.02 44.46 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 -2.00 4.19 -1.90 1.61 2.20 -1.26 -2.29 119.74 120.28 1u8w s LYS 78 Ca 0.00 2.41 0.00 0.00 -0.36 0.00 0.00 55.97 58.02 1u8w s LYS 78 Cb 0.00 -3.41 0.00 0.00 -1.51 0.00 0.00 37.83 32.91 1u8w s LYS 78 CO 0.00 -0.71 0.00 0.09 -0.36 0.00 0.00 175.35 174.37 1u8w n ASN 79 N 4.95 -5.47 -0.02 1.43 3.02 -1.26 -4.86 115.26 113.04 1u8w n ASN 79 Ca 0.16 0.24 0.10 0.00 -0.03 0.00 0.00 54.58 55.05 1u8w n ASN 79 Cb 0.39 -4.70 0.51 0.00 -0.61 0.00 0.00 39.78 35.37 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 0.95 0.35 2.41 3.04 -1.76 0.31 116.25 121.55 1u8w h VAL 80 Ca -0.44 -0.13 -0.02 0.00 -1.01 0.00 0.00 66.70 65.10 1u8w h VAL 80 Cb 1.32 0.55 0.00 0.00 -2.01 0.00 0.00 31.29 31.15 1u8w h VAL 80 CO 0.58 0.07 -0.17 0.58 -1.01 0.00 0.00 177.57 177.62 1u8w h VAL 81 N 0.37 0.64 -0.28 1.51 2.07 -1.87 0.32 116.25 119.01 1u8w h VAL 81 Ca 0.21 -0.49 -0.16 0.00 0.82 0.00 0.00 66.70 67.08 1u8w h VAL 81 Cb 0.36 0.88 -0.00 0.00 -1.52 0.00 0.00 31.29 31.01 1u8w h VAL 81 CO -0.05 0.09 -0.46 -0.07 0.02 0.00 0.00 177.57 177.10 1u8w h LEU 82 N -0.76 0.88 -0.62 2.57 3.38 -1.83 -1.98 115.31 116.95 1u8w h LEU 82 Ca -0.05 -0.52 0.01 0.00 0.09 0.00 0.00 57.88 57.41 1u8w h LEU 82 Cb 0.51 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 1u8w h LEU 82 CO 0.08 1.23 0.41 0.74 0.09 0.00 0.00 178.44 180.99 1u8w h THR 83 N 0.55 1.16 -0.81 0.22 2.02 -0.44 -0.90 112.91 114.71 1u8w h THR 83 Ca 0.02 -0.29 0.03 0.00 0.77 0.00 0.00 66.41 66.94 1u8w h THR 83 Cb 1.06 0.25 -0.05 0.00 -1.74 0.00 0.00 68.15 67.67 1u8w h THR 83 CO 0.10 0.15 0.51 1.23 0.37 0.00 0.00 175.52 177.89 1u8w h GLY 84 N 0.84 1.18 1.56 2.16 0.00 -0.25 0.16 103.07 108.72 1u8w h GLY 84 Ca 0.23 -0.39 -0.06 0.00 0.00 0.00 0.00 47.33 47.10 1u8w h GLY 84 CO -0.05 0.32 -0.07 3.21 0.00 0.00 0.00 176.54 179.96 1u8w h ARG 85 N 1.00 0.53 -0.34 4.80 3.08 -0.61 -2.12 114.38 120.72 1u8w h ARG 85 Ca 0.33 -0.14 -0.10 0.00 0.07 0.00 0.00 59.98 60.14 1u8w h ARG 85 Cb 0.03 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.00 1u8w h ARG 85 CO -0.12 0.61 -0.19 -0.22 -1.07 0.00 0.00 179.97 178.98 1u8w h LYS 86 N 0.50 0.73 -0.78 0.04 3.64 0.21 -2.23 116.57 118.67 1u8w h LYS 86 Ca 0.10 -0.33 -0.05 0.00 -1.27 0.00 0.00 60.65 59.10 1u8w h LYS 86 Cb 0.43 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.20 1u8w h LYS 86 CO 0.02 0.93 0.29 0.82 -2.27 0.00 0.00 179.45 179.24 1u8w h ILE 87 N 0.50 1.26 -0.63 2.00 2.04 -0.87 -2.94 117.51 118.87 1u8w h ILE 87 Ca 0.07 -0.86 -0.08 0.00 1.00 0.00 0.00 64.86 65.00 1u8w h ILE 87 Cb 0.73 0.36 -0.02 0.00 -0.74 0.00 0.00 36.82 37.14 1u8w h ILE 87 CO 0.05 0.35 0.10 0.40 0.00 0.00 0.00 178.15 179.05 1u8w h ILE 88 N 1.14 1.26 0.00 -0.67 2.04 -1.27 0.12 117.51 120.13 1u8w h ILE 88 Ca 0.26 -1.02 0.00 0.00 1.00 0.00 0.00 64.86 65.10 1u8w h ILE 88 Cb 0.25 0.69 0.00 0.00 -0.74 0.00 0.00 36.82 37.02 1u8w h ILE 88 CO -0.02 0.38 0.00 0.61 0.00 0.00 0.00 178.15 179.12 1u8w n GLY 89 N -0.56 0.81 3.68 5.37 0.00 -0.85 -1.04 105.19 112.60 1u8w n GLY 89 Ca 0.04 -2.03 -0.41 0.00 0.00 0.00 0.00 46.02 43.62 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 1.40 1.06 -0.21 4.61 0.00 -1.26 -4.91 120.51 121.20 1u8w n ALA 90 Ca 0.00 0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.69 1u8w n ALA 90 Cb 0.00 -2.23 0.12 0.00 0.00 0.00 0.00 19.45 17.34 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 1.93 0.78 -3.62 0.00 2.02 -1.97 -3.35 112.91 108.70 1u8w h THR 91 Ca -0.47 -0.15 -0.60 0.00 0.77 0.00 0.00 66.41 65.96 1u8w h THR 91 Cb 1.30 0.29 -0.10 0.00 -1.74 0.00 0.00 68.15 67.91 1u8w h THR 91 CO 0.59 0.08 0.61 0.21 0.37 0.00 0.00 175.52 177.38 1u8w s ASN 92 N -5.41 6.55 0.62 4.18 3.84 -1.26 -4.87 114.94 118.59 1u8w s ASN 92 Ca -0.13 0.26 0.26 0.00 0.21 0.00 0.00 52.86 53.47 1u8w s ASN 92 Cb 0.17 -2.46 1.28 0.00 -0.55 0.00 0.00 41.25 39.69 1u8w s ASN 92 CO 0.75 -1.01 1.71 -0.65 -2.79 0.00 0.00 177.10 175.11 1u8w h PRO 93 N 8.93 0.00 0.00 0.43 0.11 -1.82 0.32 132.00 139.97 1u8w h PRO 93 Ca -0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.87 1u8w h PRO 93 Cb 1.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1u8w h PRO 93 CO 1.02 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.81 1u8w h ALA 94 N 1.12 1.00 0.00 -0.75 0.00 -1.88 -3.25 119.26 115.51 1u8w h ALA 94 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1u8w h ALA 94 Cb 1.47 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.26 1u8w h ALA 94 CO -0.00 0.00 -1.81 0.00 0.00 0.00 0.00 179.25 177.44 1u8w n ALA 95 N -1.96 3.00 -1.86 0.00 0.00 0.11 -4.98 120.51 114.82 1u8w n ALA 95 Ca 0.04 -0.50 -0.41 0.00 0.00 0.00 0.00 53.44 52.56 1u8w n ALA 95 Cb 0.46 -0.78 -0.02 0.00 0.00 0.00 0.00 19.45 19.10 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 -4.41 6.61 0.33 0.00 1.04 -1.13 -4.79 113.70 111.34 1u8w s SER 96 Ca -0.06 2.71 -0.23 0.00 0.48 0.00 0.00 55.95 58.85 1u8w s SER 96 Cb 0.14 -2.62 -0.10 0.00 0.10 0.00 0.00 66.02 63.54 1u8w s SER 96 CO 0.89 -0.74 0.90 -1.61 0.98 0.00 0.00 173.24 173.66 1u8w s GLU 97 N -0.32 4.41 0.40 4.02 0.41 -1.26 -4.58 118.70 121.78 1u8w s GLU 97 Ca 0.60 1.17 -0.27 0.00 -0.41 0.00 0.00 54.97 56.06 1u8w s GLU 97 Cb -0.43 -2.64 -0.10 0.00 -1.78 0.00 0.00 34.13 29.18 1u8w s GLU 97 CO 0.43 0.21 1.42 -2.30 -0.49 0.00 0.00 175.26 174.54 1u8w n PRO 98 N 0.24 2.40 0.00 0.39 -0.02 -1.26 -2.05 135.00 134.69 1u8w n PRO 98 Ca 0.03 0.85 0.00 0.00 -2.02 0.00 0.00 63.50 62.35 1u8w n PRO 98 Cb 0.51 -2.58 0.00 0.00 -0.02 0.00 0.00 33.50 31.41 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 0.57 2.53 3.97 -1.23 0.00 -1.26 -4.98 105.19 104.79 1u8w n GLY 99 Ca 0.03 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.37 4.02 0.04 2.61 -4.23 -0.87 -4.98 115.64 109.87 1u8w s THR 100 Ca 0.00 -1.04 -0.30 0.00 -1.18 0.00 0.00 61.69 59.17 1u8w s THR 100 Cb 0.00 -3.39 -0.18 0.00 1.34 0.00 0.00 72.50 70.28 1u8w s THR 100 CO 0.00 -0.16 1.43 0.40 -0.54 0.00 0.00 174.62 175.75 1u8w h ILE 101 N 0.94 0.37 0.00 2.99 2.04 -0.72 -1.47 117.51 121.66 1u8w h ILE 101 Ca -0.46 -0.21 -0.04 0.00 1.00 0.00 0.00 64.86 65.15 1u8w h ILE 101 Cb 1.26 0.44 -0.01 0.00 -0.74 0.00 0.00 36.82 37.77 1u8w h ILE 101 CO 0.53 0.03 -0.21 0.03 0.00 0.00 0.00 178.15 178.54 1u8w h ARG 102 N -0.93 0.00 -0.59 2.37 3.08 -1.34 -1.21 114.38 115.76 1u8w h ARG 102 Ca -0.08 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.88 1u8w h ARG 102 Cb 0.65 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.68 1u8w h ARG 102 CO 0.13 0.21 0.02 0.78 -1.07 0.00 0.00 179.97 180.04 1u8w h GLY 103 N 0.85 1.11 1.34 0.04 0.00 -1.68 -0.81 103.07 103.92 1u8w h GLY 103 Ca -0.00 -0.80 -0.13 0.00 0.00 0.00 0.00 47.33 46.40 1u8w h GLY 103 CO 0.03 0.73 -1.07 -0.55 0.00 0.00 0.00 176.54 175.68 1u8w h ASP 104 N 0.92 0.00 0.00 0.19 3.32 -0.85 -3.43 116.42 116.57 1u8w h ASP 104 Ca 0.17 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.22 1u8w h ASP 104 Cb 0.52 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.07 1u8w h ASP 104 CO 0.03 0.51 -0.97 0.49 -1.72 0.00 0.00 179.24 177.57 1u8w n PHE 105 N -2.99 0.00 -3.97 4.55 3.01 -0.50 -5.08 117.46 112.49 1u8w n PHE 105 Ca -0.05 0.00 -0.33 0.00 1.01 0.00 0.00 57.45 58.08 1u8w n PHE 105 Cb 0.78 0.00 -0.05 0.00 -0.01 0.00 0.00 39.48 40.20 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 -1.95 3.84 0.00 4.37 0.00 -0.31 -5.00 121.76 122.70 1u8w s ALA 106 Ca 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 51.96 51.15 1u8w s ALA 106 Cb 0.00 -1.77 0.00 0.00 0.00 0.00 0.00 23.12 21.35 1u8w s ALA 106 CO 0.00 0.74 0.00 -0.89 0.00 0.00 0.00 175.76 175.61 1u8w n ILE 107 N 0.94 0.00 -3.49 0.00 5.41 -1.26 -4.75 119.36 116.21 1u8w n ILE 107 Ca -0.11 0.00 -0.38 0.00 1.00 0.00 0.00 62.75 63.26 1u8w n ILE 107 Cb 0.52 -1.05 -0.06 0.00 -0.71 0.00 0.00 39.64 38.34 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 -4.63 6.71 0.63 4.38 3.68 -1.26 -4.41 116.67 121.76 1u8w s ASP 108 Ca 0.00 0.84 0.40 0.00 2.13 0.00 0.00 52.55 55.92 1u8w s ASP 108 Cb 0.00 -2.24 2.10 0.00 -1.45 0.00 0.00 42.92 41.33 1u8w s ASP 108 CO 0.00 0.23 2.26 -0.29 0.13 0.00 0.00 175.17 177.51 1u8w h ILE 109 N 4.06 0.09 -0.01 4.11 2.10 -1.97 -1.39 117.51 124.49 1u8w h ILE 109 Ca -0.48 -0.15 0.00 0.00 1.08 0.00 0.00 64.86 65.31 1u8w h ILE 109 Cb 1.20 1.13 0.00 0.00 -1.09 0.00 0.00 36.82 38.07 1u8w h ILE 109 CO 0.66 0.01 -0.31 0.61 -1.08 0.00 0.00 178.15 178.04 1u8w n GLY 110 N -0.84 -0.58 2.49 8.18 0.00 -1.26 -4.08 105.19 109.10 1u8w n GLY 110 Ca -0.02 -0.43 -0.19 0.00 0.00 0.00 0.00 46.02 45.38 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 -0.64 1.77 -0.36 1.61 5.12 -0.53 -4.95 116.66 118.68 1u8w n ARG 111 Ca 0.11 -3.80 -0.07 0.00 -1.93 0.00 0.00 57.85 52.16 1u8w n ARG 111 Cb 0.36 -1.78 0.05 0.00 -1.16 0.00 0.00 32.46 29.93 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 0.01 3.37 0.00 0.55 6.94 -1.18 -4.53 115.26 120.42 1u8w n ASN 112 Ca 0.24 -2.46 0.00 0.00 -0.02 0.00 0.00 54.58 52.34 1u8w n ASN 112 Cb 0.64 -0.62 0.00 0.00 -2.36 0.00 0.00 39.78 37.43 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 0.09 0.00 -4.29 3.53 0.31 -1.26 -4.74 118.33 111.97 1u8w n VAL 113 Ca 0.17 0.00 -0.17 0.00 -0.01 0.00 0.00 64.34 64.32 1u8w n VAL 113 Cb 0.81 0.00 -0.09 0.00 -0.91 0.00 0.00 33.84 33.65 1u8w n VAL 113 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 1u8w s ILE 114 N 0.00 0.16 0.03 2.52 -4.36 -1.26 -0.11 121.20 118.18 1u8w s ILE 114 Ca 0.00 -2.00 0.02 0.00 -0.26 0.00 0.00 60.65 58.41 1u8w s ILE 114 Cb 0.00 -2.50 -0.02 0.00 1.25 0.00 0.00 42.46 41.19 1u8w s ILE 114 CO 0.00 0.00 -0.07 -2.28 0.24 0.00 0.00 174.94 172.83 1u8w s HIS 115 N -3.71 0.60 -0.06 1.37 5.65 -0.19 -4.89 115.29 114.06 1u8w s HIS 115 Ca 0.38 -0.42 -0.06 0.00 0.25 0.00 0.00 55.06 55.20 1u8w s HIS 115 Cb 0.05 -0.37 0.02 0.00 -1.18 0.00 0.00 32.58 31.10 1u8w s HIS 115 CO 0.19 -0.08 0.17 0.20 -0.65 0.00 0.00 174.74 174.57 1u8w s GLY 116 N -1.30 -0.12 0.42 1.59 0.00 -1.26 -1.51 107.32 105.15 1u8w s GLY 116 Ca -0.08 0.44 -0.25 0.00 0.00 0.00 0.00 44.72 44.83 1u8w s GLY 116 CO 0.00 0.37 1.18 1.44 0.00 0.00 0.00 173.10 176.09 1u8w n SER 117 N 2.86 2.10 0.06 1.64 7.64 -0.75 -4.91 113.62 122.26 1u8w n SER 117 Ca -0.13 1.08 0.12 0.00 1.01 0.00 0.00 58.87 60.95 1u8w n SER 117 Cb 0.59 -1.45 0.15 0.00 -1.01 0.00 0.00 64.21 62.49 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 1.88 0.00 -5.20 6.43 3.04 -1.91 -3.45 116.42 117.22 1u8w h ASP 118 Ca -0.47 -0.20 -0.04 0.00 -3.24 0.00 0.00 57.03 53.08 1u8w h ASP 118 Cb 1.31 0.00 -0.08 0.00 -1.04 0.00 0.00 39.33 39.52 1u8w h ASP 118 CO 0.59 0.10 -0.03 -0.94 -2.04 0.00 0.00 179.24 176.91 1u8w s SER 119 N -4.33 -0.07 0.04 4.15 1.04 -1.26 -4.95 113.70 108.33 1u8w s SER 119 Ca 0.06 -0.90 -0.24 0.00 0.48 0.00 0.00 55.95 55.34 1u8w s SER 119 Cb 0.13 0.63 -0.17 0.00 0.10 0.00 0.00 66.02 66.71 1u8w s SER 119 CO 0.73 -1.21 1.54 0.58 0.98 0.00 0.00 173.24 175.85 1u8w h VAL 120 N 2.18 1.10 0.00 5.02 2.07 -1.92 0.33 116.25 125.03 1u8w h VAL 120 Ca -0.25 -0.45 -0.06 0.00 0.82 0.00 0.00 66.70 66.76 1u8w h VAL 120 Cb 1.25 1.40 -0.01 0.00 -1.52 0.00 0.00 31.29 32.41 1u8w h VAL 120 CO 0.33 0.11 -0.29 1.05 0.02 0.00 0.00 177.57 178.79 1u8w h GLU 121 N -0.25 0.00 -0.46 1.57 4.11 -1.97 -0.88 114.58 116.71 1u8w h GLU 121 Ca -0.01 0.00 -0.12 0.00 0.07 0.00 0.00 59.36 59.30 1u8w h GLU 121 Cb 0.23 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 1u8w h GLU 121 CO 0.01 0.29 -0.19 1.03 0.07 0.00 0.00 179.01 180.22 1u8w h SER 122 N 0.00 0.96 0.16 3.06 0.87 -1.86 -1.97 113.55 114.77 1u8w h SER 122 Ca -0.00 -0.39 -0.10 0.00 -1.23 0.00 0.00 61.79 60.07 1u8w h SER 122 Cb 0.58 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 62.27 1u8w h SER 122 CO 0.04 1.14 -0.35 0.00 -0.53 0.00 0.00 176.83 177.13 1u8w h ALA 123 N 0.85 1.16 -0.25 6.23 0.00 0.55 -1.92 119.26 125.88 1u8w h ALA 123 Ca 0.11 -0.37 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 1u8w h ALA 123 Cb 0.76 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1u8w h ALA 123 CO 0.06 0.55 0.03 0.00 0.00 0.00 0.00 179.25 179.89 1u8w h ARG 124 N 0.24 0.42 0.11 0.00 3.08 -0.88 0.12 114.38 117.46 1u8w h ARG 124 Ca 0.03 -0.12 -0.01 0.00 0.07 0.00 0.00 59.98 59.95 1u8w h ARG 124 Cb 0.73 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.74 1u8w h ARG 124 CO 0.06 0.57 -0.05 -0.22 -1.07 0.00 0.00 179.97 179.25 1u8w h LYS 125 N 0.22 -0.14 -0.68 0.04 3.64 -1.23 -2.14 116.57 116.28 1u8w h LYS 125 Ca 0.07 0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.50 1u8w h LYS 125 Cb 0.36 0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 32.17 1u8w h LYS 125 CO 0.01 -0.08 0.42 0.93 -2.27 0.00 0.00 179.45 178.46 1u8w h GLU 126 N -0.16 0.79 -0.32 1.90 5.08 -1.27 -1.88 114.58 118.72 1u8w h GLU 126 Ca -0.01 -0.05 -0.13 0.00 -1.00 0.00 0.00 59.36 58.16 1u8w h GLU 126 Cb 0.13 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 1u8w h GLU 126 CO 0.02 0.52 -0.35 0.82 -1.00 0.00 0.00 179.01 179.03 1u8w h ILE 127 N 0.81 1.28 -0.40 3.13 2.04 -0.68 -1.05 117.51 122.63 1u8w h ILE 127 Ca 0.28 -1.50 -0.14 0.00 1.00 0.00 0.00 64.86 64.50 1u8w h ILE 127 Cb 0.05 1.41 -0.01 0.00 -0.74 0.00 0.00 36.82 37.53 1u8w h ILE 127 CO -0.12 0.49 -0.29 0.00 0.00 0.00 0.00 178.15 178.23 1u8w h ALA 128 N 1.01 0.73 -0.10 1.87 0.00 -1.18 0.47 119.26 122.05 1u8w h ALA 128 Ca 0.06 -0.41 -0.02 0.00 0.00 0.00 0.00 54.91 54.54 1u8w h ALA 128 Cb 0.87 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 1u8w h ALA 128 CO 0.08 0.66 -0.03 1.25 0.00 0.00 0.00 179.25 181.21 1u8w h LEU 129 N 0.74 0.20 0.00 0.00 5.85 -1.26 -3.01 115.31 117.83 1u8w h LEU 129 Ca 0.08 -0.39 -0.04 0.00 0.84 0.00 0.00 57.88 58.38 1u8w h LEU 129 Cb 0.84 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.81 1u8w h LEU 129 CO 0.07 0.54 -0.41 -0.50 -0.34 0.00 0.00 178.44 177.80 1u8w h TRP 130 N -0.14 0.00 -2.12 1.25 4.06 -1.19 -3.39 115.95 114.43 1u8w h TRP 130 Ca 0.02 0.00 -0.55 0.00 2.06 0.00 0.00 58.89 60.42 1u8w h TRP 130 Cb 0.46 0.00 -0.41 0.00 -1.00 0.00 0.00 29.16 28.21 1u8w h TRP 130 CO 0.06 0.16 -0.91 1.19 -3.56 0.00 0.00 178.44 175.38 1u8w n PHE 131 N -3.03 1.82 -0.34 0.49 3.01 0.16 -4.94 117.46 114.61 1u8w n PHE 131 Ca 0.02 -3.88 0.13 0.00 1.01 0.00 0.00 57.45 54.73 1u8w n PHE 131 Cb 0.61 -0.45 0.32 0.00 -0.01 0.00 0.00 39.48 39.94 1u8w n PHE 131 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 1u8w h PRO 132 N 3.42 0.70 0.00 -1.08 0.11 -1.72 0.39 132.00 133.82 1u8w h PRO 132 Ca 0.12 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.19 1u8w h PRO 132 Cb 0.76 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 31.71 1u8w h PRO 132 CO 0.65 0.46 0.00 -0.25 -0.21 0.00 0.00 178.00 178.65 1u8w n ASP 133 N -4.80 0.00 0.00 -2.05 10.43 -1.26 -5.00 116.55 113.87 1u8w n ASP 133 Ca 0.23 0.27 0.00 0.00 2.57 0.00 0.00 54.79 57.86 1u8w n ASP 133 Cb 0.58 -0.38 0.00 0.00 1.84 0.00 0.00 41.12 43.16 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 -0.02 -0.03 3.88 0.44 0.00 0.12 -5.02 105.19 104.56 1u8w n GLY 134 Ca 0.05 -1.96 -0.30 0.00 0.00 0.00 0.00 46.02 43.81 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 -1.02 3.73 -0.41 1.61 0.04 -1.26 -4.98 135.00 132.71 1u8w s PRO 135 Ca 0.00 0.53 -0.18 0.00 0.04 0.00 0.00 61.00 61.39 1u8w s PRO 135 Cb 0.00 -2.30 0.02 0.00 0.04 0.00 0.00 34.50 32.26 1u8w s PRO 135 CO 0.00 -0.19 0.48 0.08 0.04 0.00 0.00 177.00 177.41 1u8w s VAL 136 N -2.62 5.03 -0.16 -0.36 1.01 0.18 -5.04 120.40 118.45 1u8w s VAL 136 Ca 0.52 -0.14 -0.14 0.00 0.00 0.00 0.00 61.98 62.22 1u8w s VAL 136 Cb -0.10 -4.04 -0.05 0.00 0.00 0.00 0.00 36.38 32.19 1u8w s VAL 136 CO 0.38 -0.40 0.31 0.20 0.00 0.00 0.00 175.10 175.59 1u8w s ASN 137 N 1.84 6.46 0.15 3.32 0.01 -1.26 -4.55 114.94 120.90 1u8w s ASN 137 Ca 0.15 0.54 -0.17 0.00 -0.71 0.00 0.00 52.86 52.67 1u8w s ASN 137 Cb -0.16 -2.19 0.04 0.00 0.41 0.00 0.00 41.25 39.34 1u8w s ASN 137 CO 0.14 0.09 0.46 -1.66 -1.51 0.00 0.00 177.10 174.62 1u8w s TRP 138 N 0.49 -0.20 -0.08 2.20 1.48 -1.26 -5.17 118.94 116.41 1u8w s TRP 138 Ca 0.18 -0.12 0.02 0.00 -1.06 0.00 0.00 56.10 55.12 1u8w s TRP 138 Cb -0.13 0.32 -0.02 0.00 -1.16 0.00 0.00 33.47 32.48 1u8w s TRP 138 CO 0.05 -0.78 -0.13 -0.65 -4.06 0.00 0.00 176.95 171.37 1u8w s GLN 139 N -3.82 2.83 0.08 3.25 -0.21 -1.26 -5.11 119.66 115.41 1u8w s GLN 139 Ca 0.05 -0.68 -0.21 0.00 0.02 0.00 0.00 55.36 54.53 1u8w s GLN 139 Cb 0.01 -2.48 -0.07 0.00 1.00 0.00 0.00 33.01 31.47 1u8w s GLN 139 CO -0.09 0.48 0.63 0.45 -2.12 0.00 0.00 175.29 174.64 1u8w s SER 140 N -0.35 7.13 0.00 5.90 0.15 -1.26 -4.96 113.70 120.31 1u8w s SER 140 Ca 0.04 1.34 0.30 0.00 0.70 0.00 0.00 55.95 58.33 1u8w s SER 140 Cb -0.12 -2.40 1.44 0.00 -1.71 0.00 0.00 66.02 63.23 1u8w s SER 140 CO 0.02 0.22 2.01 -1.54 1.20 0.00 0.00 173.24 175.15 1u8w n SER 141 N 1.93 0.02 -0.35 5.45 3.41 -1.26 -2.59 113.62 120.24 1u8w n SER 141 Ca -0.08 -0.02 0.12 0.00 -0.26 0.00 0.00 58.87 58.63 1u8w n SER 141 Cb 0.50 -0.32 0.20 0.00 -0.26 0.00 0.00 64.21 64.34 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 -1.32 0.00 -0.22 -3.33 0.31 -1.26 -4.47 118.33 108.03 1u8w n VAL 142 Ca 0.13 -0.18 0.03 0.00 -0.01 0.00 0.00 64.34 64.30 1u8w n VAL 142 Cb 0.27 0.78 0.14 0.00 -0.91 0.00 0.00 33.84 34.12 1u8w n VAL 142 CO 0.00 0.00 0.00 -0.74 -1.32 0.00 0.00 176.83 174.77 1u8w h HIS 143 N 1.71 0.29 0.00 3.52 6.17 -1.91 0.11 115.15 125.04 1u8w h HIS 143 Ca 0.00 0.04 0.00 0.00 0.71 0.00 0.00 60.37 61.12 1u8w h HIS 143 Cb 0.61 -0.02 0.00 0.00 2.52 0.00 0.00 27.41 30.52 1u8w h HIS 143 CO 0.00 -0.02 0.00 -0.35 0.71 0.00 0.00 177.93 178.27 1u8w n PRO 144 N -5.11 0.04 0.00 5.26 -0.04 -1.26 -1.61 135.00 132.28 1u8w n PRO 144 Ca 0.11 0.41 0.11 0.00 -0.04 0.00 0.00 63.50 64.09 1u8w n PRO 144 Cb 0.38 -1.60 0.03 0.00 -0.04 0.00 0.00 33.50 32.27 1u8w n PRO 144 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 1u8w n TRP 145 N -1.67 0.00 -0.06 0.54 7.02 0.35 -4.29 117.44 119.32 1u8w n TRP 145 Ca 0.01 0.00 -0.04 0.00 -1.02 0.00 0.00 57.50 56.46 1u8w n TRP 145 Cb 0.10 0.00 -0.11 0.00 -2.42 0.00 0.00 31.31 28.88 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 0.42 0.76 -4.44 -0.99 0.31 -0.63 -5.02 118.33 108.74 1u8w n VAL 146 Ca 0.10 -0.54 -0.22 0.00 -0.01 0.00 0.00 64.34 63.67 1u8w n VAL 146 Cb 0.48 -0.47 -0.10 0.00 -0.91 0.00 0.00 33.84 32.83 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 -2.48 2.07 0.20 3.52 1.51 -0.76 -5.11 117.35 116.31 1u8w s TYR 147 Ca -0.07 -0.49 -0.10 0.00 -1.01 0.00 0.00 57.07 55.40 1u8w s TYR 147 Cb 0.05 -1.01 -0.07 0.00 -0.11 0.00 0.00 41.96 40.82 1u8w s TYR 147 CO 0.58 0.51 0.53 -1.21 -1.11 0.00 0.00 175.55 174.85 1u8w s GLU 148 N -3.60 3.82 0.00 -0.62 2.02 -1.26 -4.68 118.70 114.38 1u8w s GLU 148 Ca 0.28 0.29 0.00 0.00 0.02 0.00 0.00 54.97 55.56 1u8w s GLU 148 Cb -0.01 -2.73 0.00 0.00 0.10 0.00 0.00 34.13 31.49 1u8w s GLU 148 CO 0.12 0.37 0.00 2.41 0.02 0.00 0.00 175.26 178.18