#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u8w n GLU 2 N 0.00 0.17 -4.13 2.12 2.13 -1.25 -4.59 120.64 115.10 1u8w n GLU 2 Ca 0.00 0.06 -0.15 0.00 0.66 0.00 0.00 57.16 57.74 1u8w n GLU 2 Cb 0.00 -1.19 -0.12 0.00 0.27 0.00 0.00 31.44 30.40 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 -1.26 0.58 0.08 5.31 -0.21 -1.26 -0.85 119.66 122.05 1u8w s GLN 3 Ca 0.61 -0.66 0.02 0.00 0.02 0.00 0.00 55.36 55.34 1u8w s GLN 3 Cb -0.55 -0.44 -0.04 0.00 1.00 0.00 0.00 33.01 32.98 1u8w s GLN 3 CO 0.62 0.10 -0.06 -0.08 -2.12 0.00 0.00 175.29 173.74 1u8w s THR 4 N -1.05 0.60 -0.20 -0.19 -1.32 -0.29 -4.76 115.64 108.43 1u8w s THR 4 Ca -0.05 -1.70 -0.06 0.00 -1.21 0.00 0.00 61.69 58.67 1u8w s THR 4 Cb -0.08 -1.38 -0.03 0.00 -1.51 0.00 0.00 72.50 69.50 1u8w s THR 4 CO 0.01 -0.76 0.03 0.12 -2.21 0.00 0.00 174.62 171.81 1u8w s PHE 5 N -3.07 3.10 -0.06 9.09 5.36 -1.26 -1.78 117.98 129.35 1u8w s PHE 5 Ca 0.06 -0.30 0.04 0.00 -0.96 0.00 0.00 56.93 55.77 1u8w s PHE 5 Cb 0.02 -2.11 -0.00 0.00 -0.34 0.00 0.00 43.02 40.58 1u8w s PHE 5 CO -0.04 -0.15 -0.20 0.42 -1.46 0.00 0.00 175.22 173.79 1u8w s ILE 6 N 0.94 1.66 -0.04 3.12 1.09 -0.87 -2.31 121.20 124.79 1u8w s ILE 6 Ca 0.02 -0.82 0.03 0.00 -1.10 0.00 0.00 60.65 58.79 1u8w s ILE 6 Cb -0.14 -1.44 0.00 0.00 -1.06 0.00 0.00 42.46 39.83 1u8w s ILE 6 CO 0.02 0.47 -0.12 -0.32 -0.10 0.00 0.00 174.94 174.89 1u8w s MET 7 N 0.19 1.38 -0.42 2.79 1.75 -0.16 -0.35 119.30 124.47 1u8w s MET 7 Ca -0.10 -0.43 -0.19 0.00 -1.25 0.00 0.00 55.69 53.72 1u8w s MET 7 Cb -0.14 -1.22 0.02 0.00 2.84 0.00 0.00 34.83 36.33 1u8w s MET 7 CO 0.04 0.14 0.56 0.42 -0.65 0.00 0.00 175.02 175.54 1u8w s ILE 8 N 0.23 4.93 1.07 10.11 1.01 0.80 -0.68 121.20 138.67 1u8w s ILE 8 Ca -0.05 -0.02 -0.15 0.00 0.00 0.00 0.00 60.65 60.43 1u8w s ILE 8 Cb -0.11 -4.13 0.15 0.00 0.01 0.00 0.00 42.46 38.38 1u8w s ILE 8 CO 0.02 -0.50 0.53 0.29 0.00 0.00 0.00 174.94 175.27 1u8w n LYS 9 N 5.99 -1.42 -0.07 2.79 4.76 -0.75 -2.16 118.16 127.30 1u8w n LYS 9 Ca -0.04 -0.38 0.10 0.00 -2.87 0.00 0.00 58.31 55.12 1u8w n LYS 9 Cb 0.48 -1.96 0.48 0.00 -1.84 0.00 0.00 35.03 32.19 1u8w n LYS 9 CO 0.00 0.00 0.00 -1.35 -1.37 0.00 0.00 177.40 174.68 1u8w h PRO 10 N -2.12 0.43 0.00 1.97 0.11 -1.82 -0.82 132.00 129.75 1u8w h PRO 10 Ca -0.52 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 65.50 1u8w h PRO 10 Cb 1.32 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 1u8w h PRO 10 CO 0.41 0.29 -0.27 0.38 -0.21 0.00 0.00 178.00 178.60 1u8w h ASP 11 N 0.45 0.00 0.19 -2.05 2.03 -1.89 -2.01 116.42 113.13 1u8w h ASP 11 Ca 0.25 0.00 -0.18 0.00 -0.73 0.00 0.00 57.03 56.37 1u8w h ASP 11 Cb 0.41 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 38.91 1u8w h ASP 11 CO -0.07 0.27 -0.71 1.23 -1.03 0.00 0.00 179.24 178.93 1u8w h GLY 12 N 2.22 0.50 0.40 7.15 0.00 -1.31 -2.02 103.07 110.00 1u8w h GLY 12 Ca -0.00 -0.69 -0.00 0.00 0.00 0.00 0.00 47.33 46.64 1u8w h GLY 12 CO 0.03 0.61 -0.02 -2.08 0.00 0.00 0.00 176.54 175.09 1u8w h VAL 13 N 0.32 1.34 -0.45 4.60 2.07 -1.37 -1.90 116.25 120.86 1u8w h VAL 13 Ca -0.03 -1.35 0.09 0.00 0.82 0.00 0.00 66.70 66.24 1u8w h VAL 13 Cb 1.28 2.22 -0.09 0.00 -1.52 0.00 0.00 31.29 33.18 1u8w h VAL 13 CO 0.12 0.33 -0.12 1.56 0.02 0.00 0.00 177.57 179.48 1u8w h GLN 14 N -0.66 -0.02 0.00 1.57 1.08 -1.39 -0.86 115.11 114.83 1u8w h GLN 14 Ca -0.01 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1u8w h GLN 14 Cb 0.59 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.02 1u8w h GLN 14 CO 0.01 -0.01 0.00 0.54 -0.95 0.00 0.00 178.83 178.42 1u8w n ARG 15 N -5.34 0.54 -3.26 1.46 1.74 -0.76 -4.88 116.66 106.15 1u8w n ARG 15 Ca 0.03 0.00 -0.16 0.00 -0.77 0.00 0.00 57.85 56.95 1u8w n ARG 15 Cb 0.25 -1.35 0.07 0.00 -1.02 0.00 0.00 32.46 30.41 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 0.06 -0.25 0.56 -0.13 0.00 -0.33 -4.95 105.19 100.15 1u8w n GLY 16 Ca 0.09 0.03 0.08 0.00 0.00 0.00 0.00 46.02 46.22 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 -3.80 2.11 0.08 0.99 4.77 -0.72 -4.72 117.00 115.72 1u8w n LEU 17 Ca -0.18 -0.94 -0.15 0.00 -0.03 0.00 0.00 56.01 54.72 1u8w n LEU 17 Cb 0.62 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.62 1u8w n LEU 17 CO 0.52 0.38 0.51 0.40 -1.33 0.00 0.00 177.39 177.88 1u8w h ILE 18 N 2.72 0.00 -0.44 -0.08 2.04 -1.89 -0.05 117.51 119.82 1u8w h ILE 18 Ca 0.00 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.93 1u8w h ILE 18 Cb 0.62 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.64 1u8w h ILE 18 CO 0.00 0.00 0.07 1.23 0.00 0.00 0.00 178.15 179.45 1u8w h GLY 19 N -0.65 0.52 0.12 5.37 0.00 -1.97 -2.03 103.07 104.42 1u8w h GLY 19 Ca 0.00 -0.01 0.05 0.00 0.00 0.00 0.00 47.33 47.38 1u8w h GLY 19 CO -0.28 -0.06 -0.30 -2.09 0.00 0.00 0.00 176.54 173.81 1u8w h GLU 20 N 0.20 -0.33 -0.64 4.80 4.57 -1.73 0.10 114.58 121.56 1u8w h GLU 20 Ca 0.22 0.02 0.06 0.00 -1.18 0.00 0.00 59.36 58.49 1u8w h GLU 20 Cb 0.29 0.07 -0.06 0.00 -0.16 0.00 0.00 28.75 28.89 1u8w h GLU 20 CO -0.30 -0.22 0.33 0.28 -1.18 0.00 0.00 179.01 177.92 1u8w h VAL 21 N -0.34 0.93 -0.50 0.32 2.07 -0.62 -2.45 116.25 115.65 1u8w h VAL 21 Ca 0.12 -0.21 -0.12 0.00 0.82 0.00 0.00 66.70 67.31 1u8w h VAL 21 Cb 0.52 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 30.54 1u8w h VAL 21 CO -0.38 0.11 -0.17 0.40 0.02 0.00 0.00 177.57 177.55 1u8w h ILE 22 N 0.61 1.27 -0.49 4.57 2.04 -0.73 -2.99 117.51 121.78 1u8w h ILE 22 Ca 0.29 -1.32 0.09 0.00 1.00 0.00 0.00 64.86 64.92 1u8w h ILE 22 Cb 0.22 1.05 -0.07 0.00 -0.74 0.00 0.00 36.82 37.28 1u8w h ILE 22 CO -0.20 0.46 0.07 0.00 0.00 0.00 0.00 178.15 178.47 1u8w h ARG 24 N 0.19 1.10 -0.07 0.00 3.08 -1.33 0.02 114.38 117.37 1u8w h ARG 24 Ca 0.24 -0.07 -0.20 0.00 0.07 0.00 0.00 59.98 60.03 1u8w h ARG 24 Cb 0.34 -0.25 -0.00 0.00 0.08 0.00 0.00 29.97 30.14 1u8w h ARG 24 CO -0.35 0.73 -0.78 0.74 -1.07 0.00 0.00 179.97 179.24 1u8w h PHE 25 N 1.13 0.62 -0.01 3.04 0.04 -1.37 -2.51 116.94 117.89 1u8w h PHE 25 Ca 0.37 -0.29 -0.00 0.00 2.80 0.00 0.00 57.97 60.85 1u8w h PHE 25 Cb 0.03 -0.09 -0.00 0.00 2.20 0.00 0.00 35.95 38.09 1u8w h PHE 25 CO -0.01 1.07 0.00 0.93 -0.60 0.00 0.00 178.31 179.70 1u8w h GLU 26 N 0.30 0.01 0.00 1.51 5.08 -0.60 -2.85 114.58 118.03 1u8w h GLU 26 Ca -0.04 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 1u8w h GLU 26 Cb 1.38 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.62 1u8w h GLU 26 CO 0.14 0.14 -0.07 0.87 -1.00 0.00 0.00 179.01 179.09 1u8w h LYS 27 N -0.12 0.00 0.00 2.33 1.57 -1.01 -1.66 116.57 117.69 1u8w h LYS 27 Ca 0.00 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.75 1u8w h LYS 27 Cb 0.13 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 1u8w h LYS 27 CO -0.00 0.07 -0.17 -0.22 -0.57 0.00 0.00 179.45 178.56 1u8w h LYS 28 N 0.00 0.00 0.00 3.15 1.63 -1.24 -3.46 116.57 116.65 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 0.14 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.77 1u8w h LYS 28 CO 0.01 0.17 0.00 0.41 -3.45 0.00 0.00 179.45 176.59 1u8w n GLY 29 N -0.28 0.83 3.81 5.01 0.00 -0.62 -5.11 105.19 108.83 1u8w n GLY 29 Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 1u8w n GLY 29 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1u8w s PHE 30 N -2.00 3.10 -0.16 1.61 0.08 -1.10 -5.02 117.98 114.50 1u8w s PHE 30 Ca 0.00 1.54 -0.13 0.00 0.12 0.00 0.00 56.93 58.47 1u8w s PHE 30 Cb 0.00 -2.98 -0.05 0.00 -0.57 0.00 0.00 43.02 39.42 1u8w s PHE 30 CO 0.00 -0.76 0.26 0.99 -0.10 0.00 0.00 175.22 175.61 1u8w s THR 31 N -2.25 5.32 -0.20 0.64 2.01 -0.81 -4.59 115.64 115.76 1u8w s THR 31 Ca 0.64 0.48 -0.22 0.00 0.31 0.00 0.00 61.69 62.90 1u8w s THR 31 Cb -0.14 -3.59 -0.02 0.00 0.01 0.00 0.00 72.50 68.75 1u8w s THR 31 CO 0.26 0.42 0.67 -0.22 -0.69 0.00 0.00 174.62 175.06 1u8w s LEU 32 N 0.28 4.14 0.00 4.42 2.96 -1.26 -0.16 118.68 129.06 1u8w s LEU 32 Ca 0.15 0.89 0.06 0.00 -0.22 0.00 0.00 54.13 55.01 1u8w s LEU 32 Cb -0.13 -2.96 0.04 0.00 0.50 0.00 0.00 46.19 43.64 1u8w s LEU 32 CO 0.03 -0.31 0.64 0.29 -1.32 0.00 0.00 176.35 175.67 1u8w n LYS 33 N 5.19 0.49 -3.64 1.98 4.76 0.11 -4.93 118.16 122.11 1u8w n LYS 33 Ca -0.00 -0.76 -0.09 0.00 -2.87 0.00 0.00 58.31 54.59 1u8w n LYS 33 Cb 0.49 -1.07 -0.07 0.00 -1.84 0.00 0.00 35.03 32.54 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 -0.63 -0.16 -0.28 0.72 0.00 -1.15 -0.69 107.32 105.13 1u8w s GLY 34 Ca 0.06 2.69 -0.16 0.00 0.00 0.00 0.00 44.72 47.31 1u8w s GLY 34 CO 0.09 1.91 0.76 -2.27 0.00 0.00 0.00 173.10 173.60 1u8w s LEU 35 N 0.36 -0.83 -0.16 0.66 2.96 -1.25 -1.62 118.68 118.79 1u8w s LEU 35 Ca 0.02 1.34 -0.30 0.00 -0.22 0.00 0.00 54.13 54.97 1u8w s LEU 35 Cb -0.05 2.23 0.12 0.00 0.50 0.00 0.00 46.19 48.99 1u8w s LEU 35 CO -0.07 -0.21 0.96 -1.59 -1.32 0.00 0.00 176.35 174.12 1u8w s LYS 36 N 1.53 0.64 -0.31 1.98 -2.85 -0.91 -4.99 119.74 114.82 1u8w s LYS 36 Ca -0.09 0.22 -0.19 0.00 -1.00 0.00 0.00 55.97 54.91 1u8w s LYS 36 Cb -0.05 0.30 -0.01 0.00 -2.06 0.00 0.00 37.83 36.01 1u8w s LYS 36 CO -0.18 -0.18 0.54 -1.17 0.10 0.00 0.00 175.35 174.45 1u8w s LEU 37 N -0.93 4.20 0.01 2.77 2.96 -1.26 -1.37 118.68 125.06 1u8w s LEU 37 Ca -0.02 0.24 0.05 0.00 -0.22 0.00 0.00 54.13 54.18 1u8w s LEU 37 Cb -0.01 -2.66 -0.02 0.00 0.50 0.00 0.00 46.19 44.00 1u8w s LEU 37 CO 0.02 -0.43 -0.16 -0.63 -1.32 0.00 0.00 176.35 173.83 1u8w s ILE 38 N 2.43 1.28 -0.36 6.68 1.01 0.37 -4.94 121.20 127.68 1u8w s ILE 38 Ca 0.21 -0.84 -0.10 0.00 0.00 0.00 0.00 60.65 59.92 1u8w s ILE 38 Cb -0.15 -1.10 0.02 0.00 0.01 0.00 0.00 42.46 41.24 1u8w s ILE 38 CO 0.12 0.25 0.19 -0.94 0.00 0.00 0.00 174.94 174.55 1u8w s SER 39 N -0.69 5.67 0.29 3.58 1.04 -1.26 0.13 113.70 122.47 1u8w s SER 39 Ca 0.05 -0.91 -0.29 0.00 0.48 0.00 0.00 55.95 55.28 1u8w s SER 39 Cb -0.07 -2.01 -0.10 0.00 0.10 0.00 0.00 66.02 63.94 1u8w s SER 39 CO 0.00 -0.34 1.19 -0.69 0.98 0.00 0.00 173.24 174.38 1u8w s VAL 40 N 1.56 3.19 0.31 5.02 1.01 -1.26 -5.01 120.40 125.20 1u8w s VAL 40 Ca 0.02 1.18 -0.25 0.00 0.00 0.00 0.00 61.98 62.94 1u8w s VAL 40 Cb -0.19 -3.75 -0.10 0.00 0.00 0.00 0.00 36.38 32.34 1u8w s VAL 40 CO 0.06 0.28 0.90 -1.61 0.00 0.00 0.00 175.10 174.73 1u8w s GLU 41 N -1.50 4.52 0.16 2.72 0.41 -1.26 -4.66 118.70 119.09 1u8w s GLU 41 Ca 0.47 1.24 -0.16 0.00 -0.41 0.00 0.00 54.97 56.11 1u8w s GLU 41 Cb -0.35 -2.81 0.10 0.00 -1.78 0.00 0.00 34.13 29.29 1u8w s GLU 41 CO 0.45 0.30 1.72 -0.09 -0.49 0.00 0.00 175.26 177.15 1u8w h ARG 42 N 3.20 0.18 -0.33 1.61 2.43 -1.96 0.15 114.38 119.67 1u8w h ARG 42 Ca -0.47 -0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 58.63 1u8w h ARG 42 Cb 1.19 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.68 1u8w h ARG 42 CO 0.65 0.12 -0.07 0.66 -1.51 0.00 0.00 179.97 179.82 1u8w h SER 43 N 0.19 0.51 -0.47 -3.80 4.64 -1.99 -0.62 113.55 112.01 1u8w h SER 43 Ca 0.19 -0.12 -0.06 0.00 -0.47 0.00 0.00 61.79 61.34 1u8w h SER 43 Cb 0.23 -0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 62.17 1u8w h SER 43 CO -0.26 0.63 0.08 0.15 -0.87 0.00 0.00 176.83 176.56 1u8w h PHE 44 N 0.50 0.83 0.13 4.77 3.57 -1.69 -2.80 116.94 122.26 1u8w h PHE 44 Ca 0.10 -0.11 0.01 0.00 3.53 0.00 0.00 57.97 61.49 1u8w h PHE 44 Cb 0.43 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 38.92 1u8w h PHE 44 CO 0.02 0.77 -0.17 0.00 -2.23 0.00 0.00 178.31 176.70 1u8w h ALA 45 N 0.96 -0.31 -0.42 2.41 0.00 0.01 -1.19 119.26 120.72 1u8w h ALA 45 Ca 0.14 -0.04 0.12 0.00 0.00 0.00 0.00 54.91 55.14 1u8w h ALA 45 Cb 0.38 0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 1u8w h ALA 45 CO 0.01 -0.70 0.34 0.93 0.00 0.00 0.00 179.25 179.83 1u8w h GLU 46 N -0.35 0.00 0.08 0.00 5.08 -1.05 0.26 114.58 118.61 1u8w h GLU 46 Ca 0.01 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.12 1u8w h GLU 46 Cb 0.35 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 1u8w h GLU 46 CO -0.07 0.00 -1.15 0.87 -1.00 0.00 0.00 179.01 177.66 1u8w h LYS 47 N 0.00 0.20 -0.48 2.33 1.57 -1.11 -2.58 116.57 116.50 1u8w h LYS 47 Ca 0.20 -0.33 -0.07 0.00 -1.87 0.00 0.00 60.65 58.59 1u8w h LYS 47 Cb 0.89 0.12 -0.02 0.00 0.08 0.00 0.00 32.23 33.30 1u8w h LYS 47 CO -0.00 1.15 0.03 1.25 -0.57 0.00 0.00 179.45 181.31 1u8w h HIS 48 N 0.06 0.89 -0.95 -1.35 2.76 0.64 -2.70 115.15 114.49 1u8w h HIS 48 Ca -0.09 -0.14 -0.50 0.00 -2.20 0.00 0.00 60.37 57.44 1u8w h HIS 48 Cb 1.88 -0.24 -0.29 0.00 1.55 0.00 0.00 27.41 30.31 1u8w h HIS 48 CO 0.05 0.83 0.63 0.66 -1.30 0.00 0.00 177.93 178.80 1u8w n TYR 49 N -4.39 2.93 -0.13 5.26 4.01 -0.39 -4.70 117.16 119.76 1u8w n TYR 49 Ca 0.01 -1.81 -0.07 0.00 -0.16 0.00 0.00 57.90 55.87 1u8w n TYR 49 Cb 0.28 -0.93 -0.01 0.00 -0.31 0.00 0.00 39.34 38.38 1u8w n TYR 49 CO 0.00 0.00 0.00 1.49 -0.46 0.00 0.00 176.86 177.89 1u8w h GLU 50 N 0.98 -0.22 0.00 -0.72 4.81 -1.11 -0.57 114.58 117.75 1u8w h GLU 50 Ca 0.61 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.85 1u8w h GLU 50 Cb 2.74 0.05 0.00 0.00 0.63 0.00 0.00 28.75 32.17 1u8w h GLU 50 CO 1.07 -0.14 0.00 -0.25 -0.73 0.00 0.00 179.01 178.95 1u8w n ASP 51 N -5.42 0.00 -0.36 1.04 10.43 -1.26 -1.01 116.55 119.97 1u8w n ASP 51 Ca 0.02 -0.14 0.03 0.00 2.57 0.00 0.00 54.79 57.26 1u8w n ASP 51 Cb 0.33 -0.04 0.09 0.00 1.84 0.00 0.00 41.12 43.34 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 -1.04 2.50 -0.35 0.64 4.77 -0.23 -4.68 117.00 118.62 1u8w n LEU 52 Ca 0.04 -1.97 0.22 0.00 -0.03 0.00 0.00 56.01 54.28 1u8w n LEU 52 Cb 0.03 -0.13 0.46 0.00 -2.33 0.00 0.00 43.42 41.45 1u8w n LEU 52 CO 0.04 0.62 1.16 -1.28 -1.33 0.00 0.00 177.39 176.60 1u8w h SER 53 N 1.16 0.54 -0.04 -1.43 0.87 -1.04 -1.11 113.55 112.50 1u8w h SER 53 Ca 0.00 0.15 -0.19 0.00 -1.23 0.00 0.00 61.79 60.52 1u8w h SER 53 Cb 0.62 0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.66 1u8w h SER 53 CO 0.00 -0.01 -0.65 -1.28 -0.53 0.00 0.00 176.83 174.36 1u8w h SER 54 N 0.41 0.76 -3.97 6.23 0.87 -1.83 -3.47 113.55 112.56 1u8w h SER 54 Ca 0.68 -0.45 -0.55 0.00 -1.23 0.00 0.00 61.79 60.24 1u8w h SER 54 Cb 1.55 -0.22 0.13 0.00 -0.44 0.00 0.00 62.40 63.42 1u8w h SER 54 CO -0.49 1.21 0.64 0.29 -0.53 0.00 0.00 176.83 177.95 1u8w n LYS 55 N -3.94 1.96 -0.32 2.24 4.76 -0.42 -4.92 118.16 117.52 1u8w n LYS 55 Ca -0.05 0.71 -0.01 0.00 -2.87 0.00 0.00 58.31 56.09 1u8w n LYS 55 Cb 0.67 -2.59 0.11 0.00 -1.84 0.00 0.00 35.03 31.38 1u8w n LYS 55 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 1u8w h SER 56 N 1.86 0.95 0.00 4.39 4.64 -1.89 -2.27 113.55 121.23 1u8w h SER 56 Ca -0.51 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.80 1u8w h SER 56 Cb 1.29 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 1u8w h SER 56 CO 0.59 0.66 0.00 2.22 -0.87 0.00 0.00 176.83 179.43 1u8w n PHE 57 N -4.53 0.00 0.08 4.77 1.16 -1.26 -4.20 117.46 113.48 1u8w n PHE 57 Ca 0.11 0.00 -0.12 0.00 -1.87 0.00 0.00 57.45 55.57 1u8w n PHE 57 Cb 0.08 -0.00 -0.05 0.00 -1.61 0.00 0.00 39.48 37.90 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 -0.55 0.00 2.97 3.57 -1.64 -2.08 116.94 119.21 1u8w h PHE 58 Ca 0.00 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.49 1u8w h PHE 58 Cb 0.01 0.24 -0.00 0.00 2.79 0.00 0.00 35.95 38.98 1u8w h PHE 58 CO 0.00 -0.30 -0.12 0.66 -2.23 0.00 0.00 178.31 176.32 1u8w h SER 59 N -0.36 0.00 -0.13 0.41 4.64 -1.84 -2.21 113.55 114.06 1u8w h SER 59 Ca 0.04 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.33 1u8w h SER 59 Cb 0.41 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.50 1u8w h SER 59 CO -0.16 0.12 -0.06 1.23 -0.87 0.00 0.00 176.83 177.09 1u8w h GLY 60 N 0.44 0.30 1.62 -0.77 0.00 -1.71 0.52 103.07 103.47 1u8w h GLY 60 Ca -0.00 -0.27 -0.04 0.00 0.00 0.00 0.00 47.33 47.02 1u8w h GLY 60 CO 0.02 0.24 0.02 1.41 0.00 0.00 0.00 176.54 178.23 1u8w h LEU 61 N -0.06 0.45 -0.05 3.11 4.07 -1.06 -2.00 115.31 119.77 1u8w h LEU 61 Ca 0.03 -0.07 -0.17 0.00 0.08 0.00 0.00 57.88 57.75 1u8w h LEU 61 Cb 0.53 -0.12 0.01 0.00 1.08 0.00 0.00 40.66 42.16 1u8w h LEU 61 CO 0.02 0.50 -0.62 0.58 -1.08 0.00 0.00 178.44 177.84 1u8w h VAL 62 N 0.47 1.38 -0.64 1.22 2.07 -1.28 -2.53 116.25 116.93 1u8w h VAL 62 Ca 0.11 -1.99 -0.04 0.00 0.82 0.00 0.00 66.70 65.60 1u8w h VAL 62 Cb 0.27 2.39 -0.03 0.00 -1.52 0.00 0.00 31.29 32.40 1u8w h VAL 62 CO 0.01 0.59 0.26 0.44 0.02 0.00 0.00 177.57 178.89 1u8w h ASP 63 N 0.06 0.86 -0.01 0.57 3.32 -0.75 -3.14 116.42 117.34 1u8w h ASP 63 Ca -0.06 -0.12 -0.00 0.00 0.02 0.00 0.00 57.03 56.87 1u8w h ASP 63 Cb 1.29 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 40.62 1u8w h ASP 63 CO 0.12 0.77 -0.00 0.22 -1.72 0.00 0.00 179.24 178.63 1u8w h TYR 64 N 0.93 0.02 0.00 4.55 3.20 -1.37 -2.31 116.97 121.98 1u8w h TYR 64 Ca 0.22 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.08 1u8w h TYR 64 Cb 0.18 -0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.44 1u8w h TYR 64 CO 0.01 0.46 0.00 1.51 -1.64 0.00 0.00 178.16 178.51 1u8w n ILE 65 N -4.86 1.24 -0.01 1.81 3.06 -0.96 -1.11 119.36 118.53 1u8w n ILE 65 Ca -0.08 0.38 -0.04 0.00 -2.50 0.00 0.00 62.75 60.51 1u8w n ILE 65 Cb 0.24 -1.27 -0.12 0.00 0.54 0.00 0.00 39.64 39.03 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 -1.76 1.32 0.24 9.51 0.31 -1.18 -4.35 118.33 122.42 1u8w n VAL 66 Ca 0.02 -0.75 0.18 0.00 -0.01 0.00 0.00 64.34 63.78 1u8w n VAL 66 Cb 0.12 -0.77 0.85 0.00 -0.91 0.00 0.00 33.84 33.13 1u8w n VAL 66 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 1u8w h SER 67 N 0.00 0.00 -5.05 4.52 4.64 -0.53 -3.44 113.55 113.69 1u8w h SER 67 Ca -0.26 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.02 1u8w h SER 67 Cb 1.82 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 63.78 1u8w h SER 67 CO 0.05 0.00 0.03 -0.83 -0.87 0.00 0.00 176.83 175.21 1u8w s GLY 68 N -3.91 -0.40 0.59 -0.77 0.00 -1.26 -5.12 107.32 96.45 1u8w s GLY 68 Ca -0.04 0.18 -0.19 0.00 0.00 0.00 0.00 44.72 44.66 1u8w s GLY 68 CO 0.44 -0.11 1.25 2.56 0.00 0.00 0.00 173.10 177.25 1u8w s PRO 69 N -3.69 2.93 0.33 2.90 0.04 -1.26 -4.59 135.00 131.66 1u8w s PRO 69 Ca 0.02 1.96 0.06 0.00 0.04 0.00 0.00 61.00 63.07 1u8w s PRO 69 Cb 0.01 -1.99 -0.07 0.00 0.04 0.00 0.00 34.50 32.49 1u8w s PRO 69 CO -0.12 -1.27 -0.00 0.14 0.04 0.00 0.00 177.00 175.79 1u8w s VAL 70 N -1.48 1.60 -0.24 -0.36 -7.23 0.35 -4.22 120.40 108.82 1u8w s VAL 70 Ca 0.77 -2.06 -0.00 0.00 -1.81 0.00 0.00 61.98 58.88 1u8w s VAL 70 Cb -0.34 -2.71 0.03 0.00 0.56 0.00 0.00 36.38 33.92 1u8w s VAL 70 CO 0.37 -0.12 -0.10 -0.69 -0.31 0.00 0.00 175.10 174.26 1u8w s VAL 71 N -3.02 2.56 0.06 1.32 1.01 -0.92 -0.48 120.40 120.93 1u8w s VAL 71 Ca 0.33 -1.18 -0.10 0.00 0.00 0.00 0.00 61.98 61.03 1u8w s VAL 71 Cb 0.07 -2.32 -0.06 0.00 0.00 0.00 0.00 36.38 34.07 1u8w s VAL 71 CO 0.15 0.19 0.39 0.00 0.00 0.00 0.00 175.10 175.82 1u8w s ALA 72 N 1.26 3.73 0.06 5.51 0.00 -0.47 -0.14 121.76 131.71 1u8w s ALA 72 Ca -0.02 -0.38 -0.08 0.00 0.00 0.00 0.00 51.96 51.49 1u8w s ALA 72 Cb -0.17 -2.27 -0.00 0.00 0.00 0.00 0.00 23.12 20.68 1u8w s ALA 72 CO -0.06 0.56 0.16 -1.64 0.00 0.00 0.00 175.76 174.78 1u8w s MET 73 N -1.76 0.72 -0.11 0.00 -1.94 0.52 -2.14 119.30 114.59 1u8w s MET 73 Ca 0.31 -0.83 0.00 0.00 -1.71 0.00 0.00 55.69 53.46 1u8w s MET 73 Cb -0.14 0.29 0.02 0.00 2.01 0.00 0.00 34.83 37.01 1u8w s MET 73 CO 0.17 -0.21 -0.09 0.42 -0.01 0.00 0.00 175.02 175.30 1u8w s ILE 74 N -3.17 1.15 0.00 2.53 1.01 -0.64 -2.06 121.20 120.02 1u8w s ILE 74 Ca -0.00 -0.38 0.08 0.00 0.00 0.00 0.00 60.65 60.35 1u8w s ILE 74 Cb 0.02 -1.13 -0.02 0.00 0.01 0.00 0.00 42.46 41.34 1u8w s ILE 74 CO -0.07 0.39 -0.25 0.26 0.00 0.00 0.00 174.94 175.26 1u8w s TRP 75 N 1.54 2.26 0.07 3.97 0.52 -0.74 0.07 118.94 126.64 1u8w s TRP 75 Ca 0.03 -0.42 0.09 0.00 0.02 0.00 0.00 56.10 55.82 1u8w s TRP 75 Cb -0.13 -1.42 -0.03 0.00 -1.15 0.00 0.00 33.47 30.74 1u8w s TRP 75 CO -0.07 0.02 -0.23 -2.00 0.02 0.00 0.00 176.95 174.69 1u8w s GLU 76 N -0.83 1.80 0.00 4.98 2.12 0.78 -1.13 118.70 126.41 1u8w s GLU 76 Ca 0.10 -1.13 0.00 0.00 0.36 0.00 0.00 54.97 54.30 1u8w s GLU 76 Cb -0.10 -2.05 0.00 0.00 0.26 0.00 0.00 34.13 32.24 1u8w s GLU 76 CO 0.00 0.50 0.00 0.41 -0.54 0.00 0.00 175.26 175.64 1u8w n GLY 77 N 1.39 0.85 3.68 -1.50 0.00 -0.03 -1.93 105.19 107.66 1u8w n GLY 77 Ca -0.17 -1.34 -0.42 0.00 0.00 0.00 0.00 46.02 44.08 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 -1.90 4.31 -1.84 1.61 1.02 -1.26 -2.88 119.74 118.80 1u8w s LYS 78 Ca 0.00 1.76 0.00 0.00 0.02 0.00 0.00 55.97 57.75 1u8w s LYS 78 Cb 0.00 -3.60 0.00 0.00 -0.52 0.00 0.00 37.83 33.71 1u8w s LYS 78 CO 0.00 -0.53 0.00 0.09 -0.92 0.00 0.00 175.35 173.99 1u8w n ASN 79 N 5.50 -5.57 0.26 2.83 3.02 -1.26 -4.85 115.26 115.19 1u8w n ASN 79 Ca 0.12 0.17 0.10 0.00 -0.03 0.00 0.00 54.58 54.94 1u8w n ASN 79 Cb 0.45 -4.68 0.71 0.00 -0.61 0.00 0.00 39.78 35.66 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 0.87 0.25 2.41 3.04 -1.85 0.48 116.25 121.45 1u8w h VAL 80 Ca -0.45 0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 65.23 1u8w h VAL 80 Cb 1.33 0.99 0.00 0.00 -2.01 0.00 0.00 31.29 31.60 1u8w h VAL 80 CO 0.57 0.00 -0.12 0.58 -1.01 0.00 0.00 177.57 177.59 1u8w h VAL 81 N 0.00 0.59 -0.61 1.51 2.07 -1.86 0.12 116.25 118.08 1u8w h VAL 81 Ca 0.01 -0.91 -0.10 0.00 0.82 0.00 0.00 66.70 66.51 1u8w h VAL 81 Cb 0.02 0.97 -0.02 0.00 -1.52 0.00 0.00 31.29 30.75 1u8w h VAL 81 CO -0.00 0.15 -0.01 -0.07 0.02 0.00 0.00 177.57 177.65 1u8w h LEU 82 N -0.93 1.06 -0.69 2.57 3.38 -1.82 -1.80 115.31 117.08 1u8w h LEU 82 Ca -0.03 -0.31 -0.08 0.00 0.09 0.00 0.00 57.88 57.54 1u8w h LEU 82 Cb 0.49 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 1u8w h LEU 82 CO 0.06 1.11 0.08 0.74 0.09 0.00 0.00 178.44 180.52 1u8w h THR 83 N 0.98 1.26 -0.27 0.22 2.02 -0.15 -0.74 112.91 116.23 1u8w h THR 83 Ca 0.17 -1.07 0.06 0.00 0.77 0.00 0.00 66.41 66.34 1u8w h THR 83 Cb 0.58 0.68 -0.06 0.00 -1.74 0.00 0.00 68.15 67.60 1u8w h THR 83 CO 0.03 0.40 -0.14 1.23 0.37 0.00 0.00 175.52 177.41 1u8w h GLY 84 N 1.04 0.08 1.87 2.16 0.00 -0.19 0.77 103.07 108.80 1u8w h GLY 84 Ca 0.19 0.17 -0.12 0.00 0.00 0.00 0.00 47.33 47.58 1u8w h GLY 84 CO 0.02 -0.15 -0.52 0.07 0.00 0.00 0.00 176.54 175.96 1u8w h ARG 85 N -0.10 0.14 -0.24 4.80 0.11 -1.20 -1.40 114.38 116.48 1u8w h ARG 85 Ca 0.14 -0.08 -0.03 0.00 0.10 0.00 0.00 59.98 60.11 1u8w h ARG 85 Cb 0.32 0.01 -0.01 0.00 1.11 0.00 0.00 29.97 31.40 1u8w h ARG 85 CO -0.34 0.63 0.05 -0.22 0.10 0.00 0.00 179.97 180.19 1u8w h LYS 86 N 0.11 0.40 -0.43 0.08 3.64 0.08 -0.45 116.57 120.00 1u8w h LYS 86 Ca 0.00 -0.10 0.01 0.00 -1.27 0.00 0.00 60.65 59.29 1u8w h LYS 86 Cb 0.96 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.70 1u8w h LYS 86 CO 0.07 0.52 0.29 0.82 -2.27 0.00 0.00 179.45 178.88 1u8w h ILE 87 N 0.21 1.09 -0.03 2.00 2.04 0.73 -3.01 117.51 120.55 1u8w h ILE 87 Ca 0.07 -0.19 -0.17 0.00 1.00 0.00 0.00 64.86 65.57 1u8w h ILE 87 Cb 0.31 0.49 0.01 0.00 -0.74 0.00 0.00 36.82 36.89 1u8w h ILE 87 CO 0.00 0.10 -0.64 0.40 0.00 0.00 0.00 178.15 178.01 1u8w h ILE 88 N 0.56 1.39 0.00 -0.67 2.04 -0.72 -1.92 117.51 118.19 1u8w h ILE 88 Ca 0.16 -2.04 0.00 0.00 1.00 0.00 0.00 64.86 63.98 1u8w h ILE 88 Cb -0.03 2.47 0.00 0.00 -0.74 0.00 0.00 36.82 38.52 1u8w h ILE 88 CO -0.04 0.60 0.00 0.61 0.00 0.00 0.00 178.15 179.33 1u8w n GLY 89 N 0.99 2.14 3.43 5.37 0.00 -0.23 -0.99 105.19 115.90 1u8w n GLY 89 Ca -0.10 -1.93 -0.48 0.00 0.00 0.00 0.00 46.02 43.51 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 1.70 -2.56 -0.36 4.61 0.00 -1.26 -4.85 120.51 117.79 1u8w n ALA 90 Ca 0.00 0.44 0.07 0.00 0.00 0.00 0.00 53.44 53.95 1u8w n ALA 90 Cb 0.00 -1.67 0.24 0.00 0.00 0.00 0.00 19.45 18.02 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 1.23 0.95 -3.57 0.00 2.02 -1.97 -3.37 112.91 108.20 1u8w h THR 91 Ca -0.31 -0.35 -0.67 0.00 0.77 0.00 0.00 66.41 65.85 1u8w h THR 91 Cb 1.43 -0.15 -0.17 0.00 -1.74 0.00 0.00 68.15 67.51 1u8w h THR 91 CO 0.58 0.18 -0.12 0.21 0.37 0.00 0.00 175.52 176.75 1u8w s ASN 92 N -5.74 6.24 0.64 4.18 3.04 -1.26 -4.83 114.94 117.20 1u8w s ASN 92 Ca -0.12 -0.46 0.19 0.00 0.04 0.00 0.00 52.86 52.52 1u8w s ASN 92 Cb 0.22 -2.25 0.95 0.00 -1.54 0.00 0.00 41.25 38.63 1u8w s ASN 92 CO 0.81 -0.59 1.51 -0.65 -3.04 0.00 0.00 177.10 175.14 1u8w h PRO 93 N 8.69 0.00 0.00 0.43 0.11 -1.80 0.43 132.00 139.87 1u8w h PRO 93 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1u8w h PRO 93 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1u8w h PRO 93 CO 0.80 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.59 1u8w h ALA 94 N 0.78 1.00 0.00 -0.75 0.00 -1.90 -3.16 119.26 115.23 1u8w h ALA 94 Ca 0.12 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.90 1u8w h ALA 94 Cb 1.57 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.34 1u8w h ALA 94 CO -0.00 0.00 -1.50 0.00 0.00 0.00 0.00 179.25 177.75 1u8w n ALA 95 N -1.88 1.84 -1.68 0.00 0.00 0.15 -5.03 120.51 113.90 1u8w n ALA 95 Ca 0.01 -0.48 -0.56 0.00 0.00 0.00 0.00 53.44 52.41 1u8w n ALA 95 Cb 0.20 0.07 -0.07 0.00 0.00 0.00 0.00 19.45 19.65 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 -2.25 2.29 -4.76 0.00 3.41 -1.12 -4.80 113.62 106.39 1u8w n SER 96 Ca -0.12 1.08 -0.39 0.00 -0.26 0.00 0.00 58.87 59.18 1u8w n SER 96 Cb 0.71 -1.17 -0.05 0.00 -0.26 0.00 0.00 64.21 63.45 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 2.86 4.59 0.35 4.33 0.41 -1.26 -4.39 118.70 125.59 1u8w s GLU 97 Ca 0.95 1.68 -0.28 0.00 -0.41 0.00 0.00 54.97 56.90 1u8w s GLU 97 Cb -1.02 -3.07 -0.12 0.00 -1.78 0.00 0.00 34.13 28.14 1u8w s GLU 97 CO 0.60 0.21 1.40 -2.30 -0.49 0.00 0.00 175.26 174.68 1u8w n PRO 98 N 0.99 2.42 0.00 0.39 -0.02 -1.26 -1.85 135.00 135.67 1u8w n PRO 98 Ca -0.00 0.85 0.00 0.00 -2.02 0.00 0.00 63.50 62.33 1u8w n PRO 98 Cb 0.46 -2.51 0.00 0.00 -0.02 0.00 0.00 33.50 31.43 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 0.72 2.60 3.95 -1.23 0.00 -1.26 -4.97 105.19 104.99 1u8w n GLY 99 Ca 0.03 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.35 5.20 0.13 2.61 -4.23 -0.77 -4.97 115.64 111.25 1u8w s THR 100 Ca 0.00 -0.94 -0.23 0.00 -1.18 0.00 0.00 61.69 59.34 1u8w s THR 100 Cb 0.00 -3.78 -0.02 0.00 1.34 0.00 0.00 72.50 70.04 1u8w s THR 100 CO 0.00 -0.26 1.65 0.40 -0.54 0.00 0.00 174.62 175.87 1u8w h ILE 101 N 1.35 0.52 -0.16 2.99 2.04 -1.31 -0.90 117.51 122.04 1u8w h ILE 101 Ca -0.51 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.28 1u8w h ILE 101 Cb 1.22 0.52 -0.01 0.00 -0.74 0.00 0.00 36.82 37.81 1u8w h ILE 101 CO 0.63 0.00 -0.21 0.03 0.00 0.00 0.00 178.15 178.60 1u8w h ARG 102 N -0.24 0.28 -0.51 2.37 3.08 -1.33 -2.00 114.38 116.02 1u8w h ARG 102 Ca 0.10 -0.08 -0.05 0.00 0.07 0.00 0.00 59.98 60.01 1u8w h ARG 102 Cb 0.38 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.38 1u8w h ARG 102 CO -0.26 0.48 0.09 0.78 -1.07 0.00 0.00 179.97 180.00 1u8w h GLY 103 N 0.92 0.86 0.84 0.04 0.00 -1.46 0.06 103.07 104.33 1u8w h GLY 103 Ca 0.04 -0.51 0.00 0.00 0.00 0.00 0.00 47.33 46.87 1u8w h GLY 103 CO 0.04 0.48 -1.14 1.22 0.00 0.00 0.00 176.54 177.13 1u8w n ASP 104 N -4.26 0.71 0.00 0.19 8.00 -0.43 -4.53 116.55 116.22 1u8w n ASP 104 Ca 0.03 0.25 0.00 0.00 0.71 0.00 0.00 54.79 55.79 1u8w n ASP 104 Cb 0.24 0.67 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 -2.57 0.00 -3.52 1.24 3.01 -0.77 -5.09 117.46 109.75 1u8w n PHE 105 Ca -0.00 0.00 -0.32 0.00 1.01 0.00 0.00 57.45 58.13 1u8w n PHE 105 Cb 0.55 0.00 -0.05 0.00 -0.01 0.00 0.00 39.48 39.96 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 -1.51 3.67 0.00 4.37 0.00 0.00 -4.99 121.76 123.30 1u8w s ALA 106 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 51.96 51.58 1u8w s ALA 106 Cb 0.00 -2.31 0.00 0.00 0.00 0.00 0.00 23.12 20.81 1u8w s ALA 106 CO 0.00 0.57 0.00 -0.89 0.00 0.00 0.00 175.76 175.44 1u8w n ILE 107 N 0.14 0.00 -3.71 0.00 5.41 -1.26 -4.80 119.36 115.13 1u8w n ILE 107 Ca -0.02 0.00 -0.36 0.00 1.00 0.00 0.00 62.75 63.37 1u8w n ILE 107 Cb 0.52 -1.06 -0.07 0.00 -0.71 0.00 0.00 39.64 38.32 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 -5.00 6.37 0.58 4.38 3.68 -1.26 -4.51 116.67 120.91 1u8w s ASP 108 Ca 0.00 0.44 0.27 0.00 2.13 0.00 0.00 52.55 55.39 1u8w s ASP 108 Cb 0.00 -2.12 1.65 0.00 -1.45 0.00 0.00 42.92 41.00 1u8w s ASP 108 CO 0.00 0.24 2.15 0.40 0.13 0.00 0.00 175.17 178.09 1u8w h ILE 109 N 4.37 0.57 0.00 4.11 2.04 -1.97 0.76 117.51 127.39 1u8w h ILE 109 Ca -0.46 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.40 1u8w h ILE 109 Cb 1.18 0.90 0.00 0.00 -0.74 0.00 0.00 36.82 38.16 1u8w h ILE 109 CO 0.69 0.00 -0.05 0.61 0.00 0.00 0.00 178.15 179.40 1u8w n GLY 110 N -1.41 -1.58 2.53 5.37 0.00 -1.26 -3.78 105.19 105.06 1u8w n GLY 110 Ca 0.00 -0.08 -0.21 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.88 2.01 -0.37 1.61 5.12 0.25 -4.94 116.66 118.47 1u8w n ARG 111 Ca 0.06 -4.00 -0.01 0.00 -1.93 0.00 0.00 57.85 51.97 1u8w n ARG 111 Cb 0.39 -1.90 0.12 0.00 -1.16 0.00 0.00 32.46 29.90 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 2.91 0.00 0.55 0.23 -1.13 -4.46 115.26 113.36 1u8w n ASN 112 Ca 0.27 -2.42 0.00 0.00 -0.53 0.00 0.00 54.58 51.90 1u8w n ASN 112 Cb 0.58 -0.59 0.00 0.00 -2.08 0.00 0.00 39.78 37.69 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 0.12 0.00 -3.74 3.53 0.31 -1.26 -4.82 118.33 112.47 1u8w n VAL 113 Ca 0.14 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.37 1u8w n VAL 113 Cb 0.70 0.00 -0.05 0.00 -0.91 0.00 0.00 33.84 33.59 1u8w n VAL 113 CO 0.00 0.00 0.00 -0.51 -1.32 0.00 0.00 176.83 175.00 1u8w s ILE 114 N 0.00 0.05 0.03 2.52 2.07 -1.26 -1.82 121.20 122.80 1u8w s ILE 114 Ca 0.00 -0.82 0.06 0.00 -1.41 0.00 0.00 60.65 58.47 1u8w s ILE 114 Cb 0.00 -1.46 -0.02 0.00 0.13 0.00 0.00 42.46 41.11 1u8w s ILE 114 CO 0.00 -0.25 -0.16 -2.28 -1.91 0.00 0.00 174.94 170.34 1u8w s HIS 115 N -3.86 1.43 -0.01 3.50 5.65 0.14 -4.90 115.29 117.25 1u8w s HIS 115 Ca 0.08 -0.35 -0.05 0.00 0.25 0.00 0.00 55.06 55.00 1u8w s HIS 115 Cb 0.01 -0.86 -0.00 0.00 -1.18 0.00 0.00 32.58 30.55 1u8w s HIS 115 CO -0.06 0.05 0.10 0.20 -0.65 0.00 0.00 174.74 174.37 1u8w s GLY 116 N -1.04 0.05 0.33 1.59 0.00 -1.26 -0.99 107.32 106.00 1u8w s GLY 116 Ca 0.04 -0.11 -0.29 0.00 0.00 0.00 0.00 44.72 44.36 1u8w s GLY 116 CO 0.01 -0.21 1.47 1.44 0.00 0.00 0.00 173.10 175.82 1u8w n SER 117 N 1.91 3.47 0.17 1.64 7.64 -0.98 -4.90 113.62 122.56 1u8w n SER 117 Ca -0.20 1.19 0.11 0.00 1.01 0.00 0.00 58.87 60.98 1u8w n SER 117 Cb 0.56 -1.56 0.09 0.00 -1.01 0.00 0.00 64.21 62.30 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 3.62 0.00 -5.33 6.43 3.04 -1.93 -3.44 116.42 118.82 1u8w h ASP 118 Ca -0.48 0.00 -0.11 0.00 -3.24 0.00 0.00 57.03 53.20 1u8w h ASP 118 Cb 1.25 0.00 -0.10 0.00 -1.04 0.00 0.00 39.33 39.44 1u8w h ASP 118 CO 0.70 0.04 -0.22 -0.94 -2.04 0.00 0.00 179.24 176.78 1u8w s SER 119 N -5.89 0.02 0.04 4.15 1.04 -1.26 -4.93 113.70 106.86 1u8w s SER 119 Ca 0.04 -1.06 -0.22 0.00 0.48 0.00 0.00 55.95 55.19 1u8w s SER 119 Cb 0.07 0.55 -0.14 0.00 0.10 0.00 0.00 66.02 66.59 1u8w s SER 119 CO 0.72 -1.09 1.47 0.58 0.98 0.00 0.00 173.24 175.90 1u8w h VAL 120 N 2.32 1.25 -0.30 5.02 2.07 -1.92 -2.19 116.25 122.50 1u8w h VAL 120 Ca -0.28 -0.80 0.04 0.00 0.82 0.00 0.00 66.70 66.48 1u8w h VAL 120 Cb 1.25 1.59 -0.04 0.00 -1.52 0.00 0.00 31.29 32.57 1u8w h VAL 120 CO 0.39 0.23 0.06 -0.08 0.02 0.00 0.00 177.57 178.19 1u8w h GLU 121 N -0.10 0.16 0.00 1.57 4.81 -1.97 -1.29 114.58 117.76 1u8w h GLU 121 Ca 0.03 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1u8w h GLU 121 Cb 0.35 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.69 1u8w h GLU 121 CO 0.01 0.11 0.00 0.66 -0.73 0.00 0.00 179.01 179.05 1u8w h SER 122 N 0.17 0.00 -0.09 1.04 4.64 -1.97 -2.58 113.55 114.76 1u8w h SER 122 Ca 0.14 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.37 1u8w h SER 122 Cb 0.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 1u8w h SER 122 CO -0.19 0.00 -0.32 0.00 -0.87 0.00 0.00 176.83 175.45 1u8w h ALA 123 N 2.03 0.16 -0.52 5.18 0.00 -0.60 -0.49 119.26 125.01 1u8w h ALA 123 Ca 0.00 -0.43 0.10 0.00 0.00 0.00 0.00 54.91 54.58 1u8w h ALA 123 Cb 0.47 -0.02 -0.09 0.00 0.00 0.00 0.00 17.79 18.15 1u8w h ALA 123 CO 0.00 0.21 0.00 0.00 0.00 0.00 0.00 179.25 179.46 1u8w h ARG 124 N -0.08 0.12 -0.45 0.00 2.47 -0.94 0.49 114.38 115.99 1u8w h ARG 124 Ca -0.01 -0.01 -0.04 0.00 -1.26 0.00 0.00 59.98 58.66 1u8w h ARG 124 Cb 0.95 -0.03 -0.02 0.00 -1.65 0.00 0.00 29.97 29.22 1u8w h ARG 124 CO 0.07 0.08 0.14 0.87 0.56 0.00 0.00 179.97 181.68 1u8w h LYS 125 N 0.12 0.69 -0.45 0.04 1.57 -1.46 -1.82 116.57 115.26 1u8w h LYS 125 Ca 0.27 -0.15 -0.03 0.00 -1.87 0.00 0.00 60.65 58.86 1u8w h LYS 125 Cb 0.40 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.59 1u8w h LYS 125 CO -0.43 0.67 0.15 0.93 -0.57 0.00 0.00 179.45 180.20 1u8w h GLU 126 N 0.58 0.69 -0.49 3.15 5.08 0.59 -1.52 114.58 122.66 1u8w h GLU 126 Ca 0.14 -0.14 -0.13 0.00 -1.00 0.00 0.00 59.36 58.24 1u8w h GLU 126 Cb 0.27 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 1u8w h GLU 126 CO -0.00 0.65 -0.19 -0.84 -1.00 0.00 0.00 179.01 177.63 1u8w h ILE 127 N 0.58 1.27 -0.17 3.13 3.07 -0.08 -0.72 117.51 124.59 1u8w h ILE 127 Ca 0.15 -1.35 -0.03 0.00 1.55 0.00 0.00 64.86 65.17 1u8w h ILE 127 Cb 0.24 1.09 -0.01 0.00 -0.27 0.00 0.00 36.82 37.87 1u8w h ILE 127 CO -0.01 0.47 -0.05 0.00 -1.05 0.00 0.00 178.15 177.51 1u8w h ALA 128 N 0.91 1.60 0.14 0.16 0.00 -1.15 0.52 119.26 121.45 1u8w h ALA 128 Ca 0.12 -0.15 -0.21 0.00 0.00 0.00 0.00 54.91 54.67 1u8w h ALA 128 Cb 0.76 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 18.48 1u8w h ALA 128 CO 0.06 0.29 -0.96 1.25 0.00 0.00 0.00 179.25 179.90 1u8w h LEU 129 N 0.25 0.47 0.00 0.00 5.85 -1.05 -3.25 115.31 117.57 1u8w h LEU 129 Ca 0.06 -0.93 -0.19 0.00 0.84 0.00 0.00 57.88 57.65 1u8w h LEU 129 Cb 0.25 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.10 1u8w h LEU 129 CO 0.01 1.45 -1.13 -0.50 -0.34 0.00 0.00 178.44 177.93 1u8w h TRP 130 N -0.34 0.00 -2.18 1.25 4.06 -1.06 -3.38 115.95 114.30 1u8w h TRP 130 Ca -0.18 0.00 -0.56 0.00 2.06 0.00 0.00 58.89 60.21 1u8w h TRP 130 Cb 1.69 0.00 -0.42 0.00 -1.00 0.00 0.00 29.16 29.43 1u8w h TRP 130 CO 0.18 0.79 -0.77 1.19 -3.56 0.00 0.00 178.44 176.28 1u8w n PHE 131 N -3.16 3.19 -0.34 0.49 3.01 0.18 -4.93 117.46 115.90 1u8w n PHE 131 Ca -0.05 -3.90 0.29 0.00 1.01 0.00 0.00 57.45 54.79 1u8w n PHE 131 Cb 0.90 -0.45 0.54 0.00 -0.01 0.00 0.00 39.48 40.45 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 2.97 0.16 -0.67 -1.08 0.11 -1.69 0.09 132.00 131.89 1u8w h PRO 132 Ca 0.13 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.23 1u8w h PRO 132 Cb 0.63 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.70 1u8w h PRO 132 CO 0.75 0.11 0.00 -0.25 -0.21 0.00 0.00 178.00 178.40 1u8w n ASP 133 N -5.09 1.77 -0.25 -2.05 10.43 -1.26 -5.02 116.55 115.07 1u8w n ASP 133 Ca 0.35 -2.15 0.03 0.00 2.57 0.00 0.00 54.79 55.59 1u8w n ASP 133 Cb 1.16 -0.41 -0.01 0.00 1.84 0.00 0.00 41.12 43.70 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 0.35 -1.65 3.94 0.44 0.00 0.02 -4.98 105.19 103.31 1u8w n GLY 134 Ca 0.06 -1.46 -0.24 0.00 0.00 0.00 0.00 46.02 44.39 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 -1.62 3.35 -0.39 1.61 0.04 -1.26 -4.98 135.00 131.75 1u8w s PRO 135 Ca 0.00 -0.35 -0.19 0.00 0.04 0.00 0.00 61.00 60.50 1u8w s PRO 135 Cb 0.00 -2.61 0.01 0.00 0.04 0.00 0.00 34.50 31.94 1u8w s PRO 135 CO 0.00 -0.02 0.55 0.08 0.04 0.00 0.00 177.00 177.65 1u8w s VAL 136 N -2.43 4.96 0.14 -0.36 1.01 0.14 -5.04 120.40 118.81 1u8w s VAL 136 Ca 0.43 0.16 -0.12 0.00 0.00 0.00 0.00 61.98 62.45 1u8w s VAL 136 Cb -0.10 -4.06 -0.07 0.00 0.00 0.00 0.00 36.38 32.16 1u8w s VAL 136 CO 0.37 -0.38 0.51 0.20 0.00 0.00 0.00 175.10 175.80 1u8w s ASN 137 N 1.85 6.74 0.02 3.32 0.01 -1.26 -4.55 114.94 121.06 1u8w s ASN 137 Ca 0.19 0.97 -0.28 0.00 -0.71 0.00 0.00 52.86 53.03 1u8w s ASN 137 Cb -0.15 -2.25 0.10 0.00 0.41 0.00 0.00 41.25 39.36 1u8w s ASN 137 CO 0.15 0.10 0.93 -1.66 -1.51 0.00 0.00 177.10 175.11 1u8w s TRP 138 N -1.50 -0.28 -0.13 2.20 1.48 -1.26 -5.16 118.94 114.29 1u8w s TRP 138 Ca 0.38 0.11 0.01 0.00 -1.06 0.00 0.00 56.10 55.54 1u8w s TRP 138 Cb -0.14 0.56 -0.01 0.00 -1.16 0.00 0.00 33.47 32.72 1u8w s TRP 138 CO 0.19 -0.58 -0.17 -0.65 -4.06 0.00 0.00 176.95 171.69 1u8w s GLN 139 N -3.10 3.25 0.31 3.25 -0.21 -1.26 -5.10 119.66 116.81 1u8w s GLN 139 Ca 0.07 -0.76 -0.29 0.00 0.02 0.00 0.00 55.36 54.41 1u8w s GLN 139 Cb -0.01 -2.54 -0.10 0.00 1.00 0.00 0.00 33.01 31.36 1u8w s GLN 139 CO -0.06 0.15 1.24 0.45 -2.12 0.00 0.00 175.29 174.94 1u8w s SER 140 N 0.48 6.94 0.32 5.90 0.15 -1.26 -4.92 113.70 121.31 1u8w s SER 140 Ca -0.12 2.55 0.25 0.00 0.70 0.00 0.00 55.95 59.33 1u8w s SER 140 Cb -0.16 -2.64 0.69 0.00 -1.71 0.00 0.00 66.02 62.19 1u8w s SER 140 CO 0.05 -0.40 1.72 0.77 1.20 0.00 0.00 173.24 176.58 1u8w h SER 141 N 3.52 0.00 0.45 5.45 4.64 -2.04 -3.07 113.55 122.50 1u8w h SER 141 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1u8w h SER 141 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 1u8w h SER 141 CO 0.66 0.00 -0.47 1.33 -0.87 0.00 0.00 176.83 177.48 1u8w n VAL 142 N -2.63 0.00 -0.27 0.95 0.24 -1.26 -4.44 118.33 110.92 1u8w n VAL 142 Ca 0.04 -0.02 0.04 0.00 -2.04 0.00 0.00 64.34 62.36 1u8w n VAL 142 Cb 0.44 0.28 0.09 0.00 -1.47 0.00 0.00 33.84 33.19 1u8w n VAL 142 CO 0.00 0.00 0.00 1.57 -2.14 0.00 0.00 176.83 176.26 1u8w n HIS 143 N -1.37 0.23 0.38 6.34 -0.00 -1.16 0.17 115.22 119.80 1u8w n HIS 143 Ca 0.06 0.91 0.03 0.00 -0.00 0.00 0.00 57.72 58.72 1u8w n HIS 143 Cb 0.34 -0.91 0.17 0.00 -0.00 0.00 0.00 29.99 29.58 1u8w n HIS 143 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 1u8w n PRO 144 N -5.20 0.19 0.00 1.57 -0.04 -1.26 -0.69 135.00 129.57 1u8w n PRO 144 Ca 0.11 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.58 1u8w n PRO 144 Cb 0.36 -1.47 -0.00 0.00 -0.04 0.00 0.00 33.50 32.35 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 -0.97 0.00 -0.10 0.54 7.02 0.44 -4.58 117.44 119.79 1u8w n TRP 145 Ca 0.04 0.00 -0.16 0.00 -1.02 0.00 0.00 57.50 56.37 1u8w n TRP 145 Cb 0.02 0.00 -0.13 0.00 -2.42 0.00 0.00 31.31 28.78 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 -0.82 1.50 -4.44 -0.99 0.31 -0.10 -4.98 118.33 108.81 1u8w n VAL 146 Ca 0.00 -0.67 -0.25 0.00 -0.01 0.00 0.00 64.34 63.41 1u8w n VAL 146 Cb 0.02 -1.17 -0.13 0.00 -0.91 0.00 0.00 33.84 31.65 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 -2.52 1.84 -0.01 3.52 1.51 0.13 -5.10 117.35 116.72 1u8w s TYR 147 Ca -0.26 -0.40 -0.20 0.00 -1.01 0.00 0.00 57.07 55.20 1u8w s TYR 147 Cb 0.08 -1.04 -0.05 0.00 -0.11 0.00 0.00 41.96 40.84 1u8w s TYR 147 CO 0.69 0.17 0.58 -1.83 -1.11 0.00 0.00 175.55 174.05 1u8w s GLU 148 N -1.62 4.30 0.00 -0.62 -1.05 -1.26 -4.45 118.70 113.99 1u8w s GLU 148 Ca 0.07 0.70 0.00 0.00 -0.15 0.00 0.00 54.97 55.59 1u8w s GLU 148 Cb -0.10 -3.35 0.00 0.00 -0.44 0.00 0.00 34.13 30.25 1u8w s GLU 148 CO 0.03 0.36 0.00 2.41 0.95 0.00 0.00 175.26 179.01