#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wo8 s ALA 3 N 0.00 4.01 -0.23 7.82 0.00 -0.42 -4.44 121.76 128.51 1wo8 s ALA 3 Ca 0.00 -1.28 -0.06 0.00 0.00 0.00 0.00 51.96 50.62 1wo8 s ALA 3 Cb 0.00 -1.92 -0.02 0.00 0.00 0.00 0.00 23.12 21.18 1wo8 s ALA 3 CO 0.00 -0.27 0.03 -0.51 0.00 0.00 0.00 175.76 175.02 1wo8 s LEU 4 N -4.41 3.32 -0.08 0.00 1.43 -0.11 -0.10 118.68 118.74 1wo8 s LEU 4 Ca 0.48 -0.22 -0.14 0.00 -1.03 0.00 0.00 54.13 53.22 1wo8 s LEU 4 Cb -0.10 -1.87 -0.05 0.00 0.03 0.00 0.00 46.19 44.20 1wo8 s LEU 4 CO 0.35 0.01 0.36 0.00 0.23 0.00 0.00 176.35 177.30 1wo8 s ALA 5 N 1.33 3.64 -0.14 4.21 0.00 -0.62 -1.42 121.76 128.76 1wo8 s ALA 5 Ca 0.04 -0.32 0.00 0.00 0.00 0.00 0.00 51.96 51.69 1wo8 s ALA 5 Cb -0.15 -2.40 0.02 0.00 0.00 0.00 0.00 23.12 20.60 1wo8 s ALA 5 CO 0.02 0.30 -0.13 -0.51 0.00 0.00 0.00 175.76 175.43 1wo8 s LEU 6 N -0.33 1.61 -0.00 0.00 1.43 0.10 -0.87 118.68 120.62 1wo8 s LEU 6 Ca 0.21 -0.45 0.01 0.00 -1.03 0.00 0.00 54.13 52.87 1wo8 s LEU 6 Cb -0.15 -1.12 -0.00 0.00 0.03 0.00 0.00 46.19 44.95 1wo8 s LEU 6 CO 0.09 -0.06 -0.04 -0.63 0.23 0.00 0.00 176.35 175.94 1wo8 s ILE 7 N 1.49 0.33 -0.07 -0.59 1.01 0.05 -3.50 121.20 119.93 1wo8 s ILE 7 Ca 0.04 -0.17 -0.04 0.00 0.00 0.00 0.00 60.65 60.49 1wo8 s ILE 7 Cb -0.13 -0.29 0.04 0.00 0.01 0.00 0.00 42.46 42.09 1wo8 s ILE 7 CO -0.10 0.10 0.17 0.00 0.00 0.00 0.00 174.94 175.11 1wo8 s ALA 8 N -0.06 -0.34 0.74 9.38 0.00 -1.26 -0.80 121.76 129.42 1wo8 s ALA 8 Ca 0.01 0.73 -0.12 0.00 0.00 0.00 0.00 51.96 52.59 1wo8 s ALA 8 Cb -0.02 -0.48 0.04 0.00 0.00 0.00 0.00 23.12 22.66 1wo8 s ALA 8 CO -0.00 -0.16 1.10 -1.01 0.00 0.00 0.00 175.76 175.69 1wo8 s HIS 9 N 1.12 2.55 0.26 0.00 3.76 -0.54 -4.72 115.29 117.72 1wo8 s HIS 9 Ca -0.09 1.56 -0.03 0.00 -0.15 0.00 0.00 55.06 56.36 1wo8 s HIS 9 Cb -0.11 -3.10 0.56 0.00 1.11 0.00 0.00 32.58 31.04 1wo8 s HIS 9 CO -0.06 -1.81 1.64 -0.44 -0.85 0.00 0.00 174.74 173.22 1wo8 h ASP 10 N -0.76 -0.16 0.26 1.40 3.32 -2.00 0.73 116.42 119.20 1wo8 h ASP 10 Ca -0.45 0.19 0.00 0.00 0.02 0.00 0.00 57.03 56.80 1wo8 h ASP 10 Cb 1.24 0.30 0.00 0.00 0.22 0.00 0.00 39.33 41.09 1wo8 h ASP 10 CO 0.52 -0.15 0.00 0.00 -1.72 0.00 0.00 179.24 177.88 1wo8 n ALA 11 N -2.82 1.55 -0.05 3.45 0.00 -1.26 -2.15 120.51 119.23 1wo8 n ALA 11 Ca 0.17 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.57 1wo8 n ALA 11 Cb 0.56 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 18.85 1wo8 n ALA 11 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1wo8 n LYS 12 N -1.39 2.54 -0.18 0.00 4.76 0.22 -4.76 118.16 119.36 1wo8 n LYS 12 Ca 0.04 -1.37 -0.07 0.00 -2.87 0.00 0.00 58.31 54.03 1wo8 n LYS 12 Cb 0.10 -0.98 0.07 0.00 -1.84 0.00 0.00 35.03 32.38 1wo8 n LYS 12 CO 0.00 0.00 0.00 0.87 -1.37 0.00 0.00 177.40 176.90 1wo8 h LYS 13 N 0.00 0.98 -0.49 1.97 1.57 -1.07 -0.06 116.57 119.46 1wo8 h LYS 13 Ca 0.00 -0.30 -0.08 0.00 -1.87 0.00 0.00 60.65 58.41 1wo8 h LYS 13 Cb 0.48 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.68 1wo8 h LYS 13 CO 0.00 0.97 -0.00 -0.44 -0.57 0.00 0.00 179.45 179.41 1wo8 h ASP 14 N 0.90 0.79 -0.65 0.86 3.32 -1.86 -0.25 116.42 119.54 1wo8 h ASP 14 Ca 0.16 -0.20 -0.06 0.00 0.02 0.00 0.00 57.03 56.96 1wo8 h ASP 14 Cb 0.53 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.85 1wo8 h ASP 14 CO 0.03 0.86 0.17 -0.08 -1.72 0.00 0.00 179.24 178.50 1wo8 h GLU 15 N 0.77 1.03 -0.38 3.56 4.81 -1.80 -1.31 114.58 121.26 1wo8 h GLU 15 Ca 0.15 -0.24 -0.04 0.00 -0.13 0.00 0.00 59.36 59.10 1wo8 h GLU 15 Cb 0.46 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.69 1wo8 h GLU 15 CO 0.02 0.92 0.09 1.98 -0.73 0.00 0.00 179.01 181.29 1wo8 h MET 16 N 0.95 0.61 -0.37 1.92 4.05 -0.48 -1.11 114.93 120.50 1wo8 h MET 16 Ca 0.21 -0.15 0.00 0.00 -0.28 0.00 0.00 59.70 59.48 1wo8 h MET 16 Cb 0.34 -0.08 -0.02 0.00 -0.80 0.00 0.00 31.60 31.04 1wo8 h MET 16 CO -0.00 0.64 0.23 0.28 0.23 0.00 0.00 176.91 178.30 1wo8 h VAL 17 N 0.47 1.11 -0.86 -5.77 2.07 -0.83 -0.19 116.25 112.25 1wo8 h VAL 17 Ca 0.12 -0.23 -0.03 0.00 0.82 0.00 0.00 66.70 67.38 1wo8 h VAL 17 Cb 0.31 0.60 -0.04 0.00 -1.52 0.00 0.00 31.29 30.64 1wo8 h VAL 17 CO 0.00 0.11 0.43 0.00 0.02 0.00 0.00 177.57 178.13 1wo8 h ALA 18 N 1.12 1.10 -0.27 1.67 0.00 -1.15 -0.60 119.26 121.14 1wo8 h ALA 18 Ca 0.13 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1wo8 h ALA 18 Cb -0.03 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.41 1wo8 h ALA 18 CO -0.03 0.65 0.17 0.35 0.00 0.00 0.00 179.25 180.39 1wo8 h PHE 19 N 1.21 0.34 -0.24 0.00 3.57 -0.76 -0.97 116.94 120.09 1wo8 h PHE 19 Ca 0.30 0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.73 1wo8 h PHE 19 Cb 0.09 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 38.71 1wo8 h PHE 19 CO 0.01 0.24 -0.17 0.00 -2.23 0.00 0.00 178.31 176.16 1wo8 h LEU 21 N 0.38 0.29 -0.55 0.00 3.38 -0.75 0.47 115.31 118.53 1wo8 h LEU 21 Ca 0.07 -0.33 0.08 0.00 0.09 0.00 0.00 57.88 57.79 1wo8 h LEU 21 Cb 0.51 -0.08 -0.06 0.00 0.09 0.00 0.00 40.66 41.12 1wo8 h LEU 21 CO 0.03 0.55 0.19 -0.09 0.09 0.00 0.00 178.44 179.22 1wo8 h ARG 22 N 0.02 0.36 -0.48 1.13 2.43 -0.96 -2.95 114.38 113.94 1wo8 h ARG 22 Ca 0.04 -0.02 -0.14 0.00 -0.81 0.00 0.00 59.98 59.05 1wo8 h ARG 22 Cb 0.41 -0.08 -0.08 0.00 -0.42 0.00 0.00 29.97 29.80 1wo8 h ARG 22 CO 0.01 0.24 0.10 0.72 -1.51 0.00 0.00 179.97 179.53 1wo8 n HIS 23 N -5.01 1.58 -0.23 2.20 8.25 -0.68 -4.73 115.22 116.60 1wo8 n HIS 23 Ca 0.07 -1.22 0.04 0.00 -0.26 0.00 0.00 57.72 56.34 1wo8 n HIS 23 Cb 0.24 -0.51 0.15 0.00 1.12 0.00 0.00 29.99 30.98 1wo8 n HIS 23 CO 0.00 0.00 0.00 -0.22 0.64 0.00 0.00 176.34 176.76 1wo8 h LYS 24 N 1.85 0.24 -0.76 -0.41 3.64 -0.71 -0.58 116.57 119.83 1wo8 h LYS 24 Ca 0.17 -0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.59 1wo8 h LYS 24 Cb 1.86 -0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 33.57 1wo8 h LYS 24 CO 0.48 0.16 0.46 -0.44 -2.27 0.00 0.00 179.45 177.84 1wo8 h ASP 25 N 0.24 0.73 -0.04 4.20 3.32 -1.86 -0.64 116.42 122.38 1wo8 h ASP 25 Ca 0.38 0.01 -0.19 0.00 0.02 0.00 0.00 57.03 57.25 1wo8 h ASP 25 Cb 0.62 -0.14 0.01 0.00 0.22 0.00 0.00 39.33 40.05 1wo8 h ASP 25 CO -0.49 0.48 -0.72 0.58 -1.72 0.00 0.00 179.24 177.37 1wo8 h VAL 26 N 0.87 1.36 -0.79 -1.35 2.07 -1.72 -3.31 116.25 113.37 1wo8 h VAL 26 Ca 0.32 -2.06 -0.05 0.00 0.82 0.00 0.00 66.70 65.74 1wo8 h VAL 26 Cb 0.12 2.38 -0.03 0.00 -1.52 0.00 0.00 31.29 32.24 1wo8 h VAL 26 CO -0.15 0.62 0.31 -0.07 0.02 0.00 0.00 177.57 178.30 1wo8 h LEU 27 N 0.15 1.09 -2.09 2.57 3.38 -0.96 -2.54 115.31 116.92 1wo8 h LEU 27 Ca -0.08 -0.17 0.04 0.00 0.09 0.00 0.00 57.88 57.76 1wo8 h LEU 27 Cb 1.40 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.86 1wo8 h LEU 27 CO 0.14 0.97 0.32 0.00 0.09 0.00 0.00 178.44 179.97 1wo8 h ALA 28 N 1.18 1.59 0.00 1.53 0.00 -1.20 -0.43 119.26 121.94 1wo8 h ALA 28 Ca 0.26 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1wo8 h ALA 28 Cb 0.22 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1wo8 h ALA 28 CO -0.02 -0.39 0.00 0.54 0.00 0.00 0.00 179.25 179.37 1wo8 n ARG 29 N -3.26 0.25 -4.36 0.00 1.74 -0.96 -4.86 116.66 105.22 1wo8 n ARG 29 Ca 0.01 0.01 -0.22 0.00 -0.77 0.00 0.00 57.85 56.88 1wo8 n ARG 29 Cb 0.42 -1.50 -0.11 0.00 -1.02 0.00 0.00 32.46 30.25 1wo8 n ARG 29 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 1wo8 s TYR 30 N -2.74 1.90 0.10 -1.55 1.51 -0.17 -5.10 117.35 111.31 1wo8 s TYR 30 Ca 0.22 -0.46 -0.31 0.00 -1.01 0.00 0.00 57.07 55.51 1wo8 s TYR 30 Cb 0.19 -0.92 -0.08 0.00 -0.11 0.00 0.00 41.96 41.05 1wo8 s TYR 30 CO 0.48 0.40 1.36 -2.14 -1.11 0.00 0.00 175.55 174.54 1wo8 s PRO 31 N -3.01 4.33 -0.12 -1.71 0.02 -1.26 -4.88 135.00 128.38 1wo8 s PRO 31 Ca 0.19 2.03 -0.05 0.00 0.02 0.00 0.00 61.00 63.19 1wo8 s PRO 31 Cb -0.05 -3.27 -0.04 0.00 0.02 0.00 0.00 34.50 31.16 1wo8 s PRO 31 CO 0.08 -0.42 0.07 -0.51 -0.33 0.00 0.00 177.00 175.89 1wo8 s LEU 32 N 1.14 3.93 -0.06 -5.54 1.43 -1.26 -0.93 118.68 117.39 1wo8 s LEU 32 Ca 0.64 0.25 0.02 0.00 -1.03 0.00 0.00 54.13 54.00 1wo8 s LEU 32 Cb -0.36 -1.94 0.02 0.00 0.03 0.00 0.00 46.19 43.94 1wo8 s LEU 32 CO 0.30 0.34 -0.10 -0.22 0.23 0.00 0.00 176.35 176.91 1wo8 s LEU 33 N -0.65 1.52 0.06 1.79 2.96 -0.51 -0.54 118.68 123.30 1wo8 s LEU 33 Ca 0.12 -0.25 -0.10 0.00 -0.22 0.00 0.00 54.13 53.68 1wo8 s LEU 33 Cb -0.12 -0.71 0.00 0.00 0.50 0.00 0.00 46.19 45.87 1wo8 s LEU 33 CO 0.02 -0.00 0.21 0.00 -1.32 0.00 0.00 176.35 175.26 1wo8 s ALA 34 N 0.81 -0.38 0.71 5.97 0.00 -0.36 0.02 121.76 128.55 1wo8 s ALA 34 Ca -0.12 -0.33 -0.15 0.00 0.00 0.00 0.00 51.96 51.36 1wo8 s ALA 34 Cb -0.15 0.35 0.03 0.00 0.00 0.00 0.00 23.12 23.35 1wo8 s ALA 34 CO 0.02 -0.42 1.16 0.95 0.00 0.00 0.00 175.76 177.47 1wo8 s THR 35 N -2.96 2.71 0.10 0.00 -4.23 -1.23 -1.19 115.64 108.85 1wo8 s THR 35 Ca -0.02 0.33 -0.20 0.00 -1.18 0.00 0.00 61.69 60.62 1wo8 s THR 35 Cb 0.01 -2.85 -0.05 0.00 1.34 0.00 0.00 72.50 70.96 1wo8 s THR 35 CO -0.06 -0.20 1.28 0.61 -0.54 0.00 0.00 174.62 175.71 1wo8 n GLY 36 N -0.04 -2.57 0.23 3.99 0.00 -0.27 -1.05 105.19 105.48 1wo8 n GLY 36 Ca 0.12 0.94 -0.14 0.00 0.00 0.00 0.00 46.02 46.94 1wo8 n GLY 36 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1wo8 h THR 37 N 0.00 1.29 -0.62 2.61 2.02 -1.88 -1.98 112.91 114.35 1wo8 h THR 37 Ca 0.10 -1.64 0.03 0.00 0.77 0.00 0.00 66.41 65.68 1wo8 h THR 37 Cb 0.27 1.65 -0.04 0.00 -1.74 0.00 0.00 68.15 68.29 1wo8 h THR 37 CO -0.61 0.53 0.37 0.74 0.37 0.00 0.00 175.52 176.92 1wo8 h THR 38 N 0.55 1.06 -0.70 3.16 2.02 -1.84 -1.24 112.91 115.92 1wo8 h THR 38 Ca 0.02 -0.25 -0.02 0.00 0.77 0.00 0.00 66.41 66.93 1wo8 h THR 38 Cb 1.05 0.26 -0.03 0.00 -1.74 0.00 0.00 68.15 67.69 1wo8 h THR 38 CO 0.10 0.13 0.35 1.23 0.37 0.00 0.00 175.52 177.70 1wo8 h GLY 39 N 0.73 1.08 0.98 2.16 0.00 -1.00 -1.60 103.07 105.42 1wo8 h GLY 39 Ca 0.25 -0.53 -0.01 0.00 0.00 0.00 0.00 47.33 47.05 1wo8 h GLY 39 CO -0.11 0.50 0.28 0.00 0.00 0.00 0.00 176.54 177.21 1wo8 h ALA 40 N 1.17 0.63 -0.63 3.60 0.00 -0.75 -1.01 119.26 122.27 1wo8 h ALA 40 Ca 0.24 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.99 1wo8 h ALA 40 Cb 0.10 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 1wo8 h ALA 40 CO -0.03 0.14 0.10 0.00 0.00 0.00 0.00 179.25 179.46 1wo8 h ARG 41 N 0.65 1.04 -0.03 0.00 2.47 -1.02 -2.08 114.38 115.41 1wo8 h ARG 41 Ca 0.17 -0.27 -0.00 0.00 -1.26 0.00 0.00 59.98 58.62 1wo8 h ARG 41 Cb 0.03 -0.13 -0.00 0.00 -1.65 0.00 0.00 29.97 28.23 1wo8 h ARG 41 CO -0.03 0.95 0.01 0.82 0.56 0.00 0.00 179.97 182.28 1wo8 h ILE 42 N 0.97 1.18 -0.44 2.04 2.04 -0.98 -2.61 117.51 119.71 1wo8 h ILE 42 Ca 0.19 -0.53 0.02 0.00 1.00 0.00 0.00 64.86 65.55 1wo8 h ILE 42 Cb 0.43 1.48 -0.03 0.00 -0.74 0.00 0.00 36.82 37.95 1wo8 h ILE 42 CO 0.01 0.14 0.25 1.56 0.00 0.00 0.00 178.15 180.11 1wo8 h GLN 43 N -0.16 0.48 -0.11 2.37 4.20 -1.10 0.02 115.11 120.81 1wo8 h GLN 43 Ca 0.01 -0.03 -0.06 0.00 0.06 0.00 0.00 58.65 58.63 1wo8 h GLN 43 Cb 0.22 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.88 1wo8 h GLN 43 CO -0.00 0.32 -0.23 0.93 -0.67 0.00 0.00 178.83 179.18 1wo8 h GLU 44 N 0.50 0.18 0.00 1.46 5.08 -1.37 0.17 114.58 120.60 1wo8 h GLU 44 Ca 0.18 -0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 58.41 1wo8 h GLU 44 Cb 0.04 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 1wo8 h GLU 44 CO -0.10 0.41 -1.41 0.00 -1.00 0.00 0.00 179.01 176.92 1wo8 n ALA 45 N -2.48 2.34 -0.00 3.43 0.00 -0.99 -4.62 120.51 118.19 1wo8 n ALA 45 Ca -0.01 -0.45 0.00 0.00 0.00 0.00 0.00 53.44 52.98 1wo8 n ALA 45 Cb 0.33 -0.94 -0.02 0.00 0.00 0.00 0.00 19.45 18.82 1wo8 n ALA 45 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1wo8 n THR 46 N -2.66 0.06 -0.21 0.00 -2.24 -0.03 -4.99 114.28 104.20 1wo8 n THR 46 Ca -0.06 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 1wo8 n THR 46 Cb 0.68 -0.12 0.00 0.00 -2.10 0.00 0.00 70.33 68.79 1wo8 n THR 46 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wo8 n GLY 47 N 2.57 1.43 3.76 3.38 0.00 0.04 -5.02 105.19 111.36 1wo8 n GLY 47 Ca -0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.61 1wo8 n GLY 47 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wo8 s LEU 48 N 0.00 4.07 -0.13 0.99 1.43 -1.26 -4.97 118.68 118.81 1wo8 s LEU 48 Ca 0.00 2.78 -0.26 0.00 -1.03 0.00 0.00 54.13 55.62 1wo8 s LEU 48 Cb 0.00 -4.02 -0.02 0.00 0.03 0.00 0.00 46.19 42.18 1wo8 s LEU 48 CO 0.00 -1.16 0.85 0.00 0.23 0.00 0.00 176.35 176.27 1wo8 s ALA 49 N -1.26 3.45 -0.05 4.21 0.00 -1.26 -4.44 121.76 122.41 1wo8 s ALA 49 Ca 0.62 0.14 0.02 0.00 0.00 0.00 0.00 51.96 52.74 1wo8 s ALA 49 Cb -0.41 -3.24 0.02 0.00 0.00 0.00 0.00 23.12 19.49 1wo8 s ALA 49 CO 0.51 -0.55 -0.08 0.08 0.00 0.00 0.00 175.76 175.72 1wo8 s VAL 50 N 1.88 0.82 -0.32 0.00 1.01 -1.26 -4.37 120.40 118.16 1wo8 s VAL 50 Ca 0.41 -0.30 -0.28 0.00 0.00 0.00 0.00 61.98 61.80 1wo8 s VAL 50 Cb -0.17 -0.78 0.02 0.00 0.00 0.00 0.00 36.38 35.44 1wo8 s VAL 50 CO 0.15 0.28 1.04 -0.70 0.00 0.00 0.00 175.10 175.87 1wo8 s GLU 51 N 0.73 4.06 -0.21 2.72 2.12 0.30 -4.94 118.70 123.49 1wo8 s GLU 51 Ca -0.12 1.02 -0.10 0.00 0.36 0.00 0.00 54.97 56.13 1wo8 s GLU 51 Cb -0.15 -3.73 -0.05 0.00 0.26 0.00 0.00 34.13 30.46 1wo8 s GLU 51 CO 0.02 -0.87 0.14 1.03 -0.54 0.00 0.00 175.26 175.04 1wo8 s ARG 52 N 3.56 4.17 0.00 4.30 0.52 -1.26 -1.22 118.95 129.02 1wo8 s ARG 52 Ca 0.44 -0.22 0.00 0.00 -0.52 0.00 0.00 55.73 55.43 1wo8 s ARG 52 Cb -0.12 -3.44 0.00 0.00 0.52 0.00 0.00 34.95 31.91 1wo8 s ARG 52 CO 0.15 0.26 0.00 1.33 0.02 0.00 0.00 175.30 177.06 1wo8 n VAL 53 N 3.64 0.00 -1.10 3.52 0.24 -0.33 -4.88 118.33 119.42 1wo8 n VAL 53 Ca -0.16 0.00 -0.29 0.00 -2.04 0.00 0.00 64.34 61.85 1wo8 n VAL 53 Cb 0.52 -0.81 0.16 0.00 -1.47 0.00 0.00 33.84 32.24 1wo8 n VAL 53 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1wo8 s LEU 54 N 0.00 2.03 0.85 1.34 1.43 -1.26 -1.11 118.68 121.95 1wo8 s LEU 54 Ca 0.00 1.48 -0.11 0.00 -1.03 0.00 0.00 54.13 54.47 1wo8 s LEU 54 Cb 0.00 -3.80 0.10 0.00 0.03 0.00 0.00 46.19 42.52 1wo8 s LEU 54 CO 0.00 -2.92 1.10 -0.94 0.23 0.00 0.00 176.35 173.82 1wo8 s SER 55 N -3.29 3.82 0.14 2.29 1.04 -1.26 -2.07 113.70 114.37 1wo8 s SER 55 Ca 0.64 1.77 -0.19 0.00 0.48 0.00 0.00 55.95 58.66 1wo8 s SER 55 Cb -0.19 -2.42 0.02 0.00 0.10 0.00 0.00 66.02 63.53 1wo8 s SER 55 CO 0.58 -2.46 1.70 1.23 0.98 0.00 0.00 173.24 175.27 1wo8 h GLY 56 N -1.43 0.24 0.79 7.32 0.00 -1.93 -0.23 103.07 107.82 1wo8 h GLY 56 Ca -0.46 0.05 0.13 0.00 0.00 0.00 0.00 47.33 47.06 1wo8 h GLY 56 CO 0.51 -0.08 0.48 -2.55 0.00 0.00 0.00 176.54 174.90 1wo8 h PRO 57 N 0.05 0.44 -0.01 4.80 0.11 -1.97 -1.54 132.00 133.88 1wo8 h PRO 57 Ca 0.13 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.21 1wo8 h PRO 57 Cb 0.18 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.19 1wo8 h PRO 57 CO -0.24 0.29 -0.12 1.28 -0.21 0.00 0.00 178.00 179.00 1wo8 n LEU 58 N -4.48 0.74 0.00 2.35 4.77 -0.78 -4.91 117.00 114.69 1wo8 n LEU 58 Ca 0.13 -0.15 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 1wo8 n LEU 58 Cb 0.47 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.44 1wo8 n LEU 58 CO 0.33 0.13 0.00 0.61 -1.33 0.00 0.00 177.39 177.13 1wo8 n GLY 59 N 1.25 1.26 0.32 -0.72 0.00 -0.58 -4.89 105.19 101.83 1wo8 n GLY 59 Ca 0.16 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.29 1wo8 n GLY 59 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1wo8 h GLY 60 N 0.00 0.20 1.61 -0.02 0.00 -1.12 -1.51 103.07 102.23 1wo8 h GLY 60 Ca 0.00 -0.07 -0.06 0.00 0.00 0.00 0.00 47.33 47.20 1wo8 h GLY 60 CO 0.00 0.05 -0.10 -0.55 0.00 0.00 0.00 176.54 175.94 1wo8 h ASP 61 N 0.16 0.45 0.29 0.19 3.32 -1.81 -1.67 116.42 117.36 1wo8 h ASP 61 Ca 0.15 -0.11 -0.18 0.00 0.02 0.00 0.00 57.03 56.91 1wo8 h ASP 61 Cb 0.40 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 1wo8 h ASP 61 CO -0.02 0.59 -0.73 -0.07 -1.72 0.00 0.00 179.24 177.29 1wo8 h LEU 62 N 0.44 0.45 -0.50 1.55 3.38 -1.60 0.75 115.31 119.78 1wo8 h LEU 62 Ca 0.09 -0.30 -0.04 0.00 0.09 0.00 0.00 57.88 57.72 1wo8 h LEU 62 Cb 0.44 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 1wo8 h LEU 62 CO 0.02 1.03 0.15 1.56 0.09 0.00 0.00 178.44 181.30 1wo8 h GLN 63 N 0.25 0.79 -0.30 1.13 4.20 -1.12 0.14 115.11 120.20 1wo8 h GLN 63 Ca -0.03 -0.17 -0.17 0.00 0.06 0.00 0.00 58.65 58.34 1wo8 h GLN 63 Cb 1.30 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 28.97 1wo8 h GLN 63 CO 0.12 0.74 -0.47 0.82 -0.67 0.00 0.00 178.83 179.37 1wo8 h ILE 64 N 0.69 1.28 -0.48 2.54 2.04 -1.24 -2.50 117.51 119.84 1wo8 h ILE 64 Ca 0.16 -1.66 -0.01 0.00 1.00 0.00 0.00 64.86 64.35 1wo8 h ILE 64 Cb 0.28 1.55 -0.02 0.00 -0.74 0.00 0.00 36.82 37.88 1wo8 h ILE 64 CO -0.00 0.54 0.25 1.23 0.00 0.00 0.00 178.15 180.16 1wo8 h GLY 65 N 0.83 0.70 0.97 5.37 0.00 -0.52 -0.03 103.07 110.38 1wo8 h GLY 65 Ca 0.03 -0.30 -0.05 0.00 0.00 0.00 0.00 47.33 47.01 1wo8 h GLY 65 CO 0.10 0.29 0.08 0.00 0.00 0.00 0.00 176.54 177.01 1wo8 h ALA 66 N 1.62 0.61 -0.22 3.60 0.00 -0.46 -0.76 119.26 123.65 1wo8 h ALA 66 Ca 0.17 -0.23 0.06 0.00 0.00 0.00 0.00 54.91 54.91 1wo8 h ALA 66 Cb 0.04 -0.17 -0.07 0.00 0.00 0.00 0.00 17.79 17.58 1wo8 h ALA 66 CO -0.03 0.33 -0.29 0.00 0.00 0.00 0.00 179.25 179.27 1wo8 h ARG 67 N 0.63 -0.30 -0.39 0.00 2.47 -0.89 -0.94 114.38 114.96 1wo8 h ARG 67 Ca 0.14 0.02 0.07 0.00 -1.26 0.00 0.00 59.98 58.95 1wo8 h ARG 67 Cb 0.38 0.07 -0.06 0.00 -1.65 0.00 0.00 29.97 28.71 1wo8 h ARG 67 CO 0.01 -0.20 0.01 0.28 0.56 0.00 0.00 179.97 180.63 1wo8 h VAL 68 N -0.31 0.72 -0.24 2.04 2.07 -0.78 -1.56 116.25 118.18 1wo8 h VAL 68 Ca 0.12 -0.04 -0.01 0.00 0.82 0.00 0.00 66.70 67.59 1wo8 h VAL 68 Cb 0.51 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 1wo8 h VAL 68 CO -0.39 0.02 0.09 0.00 0.02 0.00 0.00 177.57 177.31 1wo8 h ALA 69 N 1.33 1.71 -0.01 1.67 0.00 -0.68 -1.20 119.26 122.08 1wo8 h ALA 69 Ca 0.19 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1wo8 h ALA 69 Cb 0.26 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1wo8 h ALA 69 CO -0.31 0.24 0.00 0.39 0.00 0.00 0.00 179.25 179.57 1wo8 n GLU 70 N -4.43 1.07 -1.58 0.00 1.02 -0.40 -4.89 120.64 111.44 1wo8 n GLU 70 Ca 0.01 -0.11 -0.07 0.00 -0.02 0.00 0.00 57.16 56.97 1wo8 n GLU 70 Cb 0.13 -1.45 -0.02 0.00 -0.02 0.00 0.00 31.44 30.08 1wo8 n GLU 70 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1wo8 n GLY 71 N 0.97 0.56 1.34 0.62 0.00 -0.45 -4.93 105.19 103.30 1wo8 n GLY 71 Ca 0.21 -0.69 0.10 0.00 0.00 0.00 0.00 46.02 45.63 1wo8 n GLY 71 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1wo8 n LYS 72 N -2.33 3.21 -4.56 1.61 5.02 -0.66 -4.91 118.16 115.55 1wo8 n LYS 72 Ca -0.07 -2.69 -0.27 0.00 -2.02 0.00 0.00 58.31 53.25 1wo8 n LYS 72 Cb 0.36 -1.69 -0.17 0.00 -0.02 0.00 0.00 35.03 33.52 1wo8 n LYS 72 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1wo8 s VAL 73 N -1.46 1.40 -0.02 -0.18 1.01 -1.26 -1.30 120.40 118.60 1wo8 s VAL 73 Ca 0.46 -0.61 -0.19 0.00 0.00 0.00 0.00 61.98 61.64 1wo8 s VAL 73 Cb 0.27 -1.28 -0.33 0.00 0.00 0.00 0.00 36.38 35.04 1wo8 s VAL 73 CO 0.26 0.42 0.93 0.25 0.00 0.00 0.00 175.10 176.96 1wo8 h LEU 74 N 7.22 0.63 -7.00 3.92 5.85 -0.76 -3.46 115.31 121.71 1wo8 h LEU 74 Ca -0.30 -0.94 -0.02 0.00 0.84 0.00 0.00 57.88 57.47 1wo8 h LEU 74 Cb 1.18 -0.20 -0.13 0.00 0.37 0.00 0.00 40.66 41.88 1wo8 h LEU 74 CO 0.48 1.53 0.23 0.00 -0.34 0.00 0.00 178.44 180.34 1wo8 s ALA 75 N -2.50 -1.64 -0.07 1.25 0.00 -1.24 -4.24 121.76 113.32 1wo8 s ALA 75 Ca -0.12 0.66 0.03 0.00 0.00 0.00 0.00 51.96 52.53 1wo8 s ALA 75 Cb 0.02 0.71 0.01 0.00 0.00 0.00 0.00 23.12 23.86 1wo8 s ALA 75 CO 0.88 -0.70 -0.15 0.08 0.00 0.00 0.00 175.76 175.87 1wo8 s VAL 76 N -3.29 1.32 -0.33 0.00 1.01 -0.16 -1.58 120.40 117.36 1wo8 s VAL 76 Ca -0.01 -0.59 -0.03 0.00 0.00 0.00 0.00 61.98 61.36 1wo8 s VAL 76 Cb -0.01 -1.18 0.06 0.00 0.00 0.00 0.00 36.38 35.25 1wo8 s VAL 76 CO -0.09 0.39 0.06 -0.69 0.00 0.00 0.00 175.10 174.78 1wo8 s VAL 77 N 0.57 3.19 -0.44 2.92 1.01 -0.04 -0.83 120.40 126.78 1wo8 s VAL 77 Ca -0.15 -1.48 0.04 0.00 0.00 0.00 0.00 61.98 60.38 1wo8 s VAL 77 Cb -0.16 -2.91 0.12 0.00 0.00 0.00 0.00 36.38 33.43 1wo8 s VAL 77 CO 0.05 -0.25 0.18 0.12 0.00 0.00 0.00 175.10 175.20 1wo8 s PHE 78 N 1.25 3.17 -0.74 5.22 2.19 0.27 -0.77 117.98 128.58 1wo8 s PHE 78 Ca -0.02 -2.96 -0.27 0.00 0.33 0.00 0.00 56.93 54.02 1wo8 s PHE 78 Cb -0.20 -2.69 0.03 0.00 -1.31 0.00 0.00 43.02 38.84 1wo8 s PHE 78 CO -0.01 -0.82 1.32 -0.51 1.83 0.00 0.00 175.22 177.02 1wo8 s LEU 79 N 0.29 3.17 0.35 6.12 1.43 0.02 -4.03 118.68 126.03 1wo8 s LEU 79 Ca 0.15 -0.41 -0.08 0.00 -1.03 0.00 0.00 54.13 52.75 1wo8 s LEU 79 Cb -0.23 -2.56 -0.06 0.00 0.03 0.00 0.00 46.19 43.37 1wo8 s LEU 79 CO -0.04 -1.87 0.68 -1.10 0.23 0.00 0.00 176.35 174.25 1wo8 s GLN 80 N 5.81 3.73 -0.48 1.70 -0.21 -1.09 -1.47 119.66 127.65 1wo8 s GLN 80 Ca 0.37 0.29 -0.13 0.00 0.02 0.00 0.00 55.36 55.92 1wo8 s GLN 80 Cb -0.08 -2.49 0.10 0.00 1.00 0.00 0.00 33.01 31.53 1wo8 s GLN 80 CO 0.15 0.07 0.38 0.34 -2.12 0.00 0.00 175.29 174.12 1wo8 s ASP 81 N -3.12 5.95 0.00 5.90 2.15 -1.26 -4.91 116.67 121.38 1wo8 s ASP 81 Ca 0.48 -1.63 0.26 0.00 0.43 0.00 0.00 52.55 52.10 1wo8 s ASP 81 Cb -0.10 -2.11 1.57 0.00 -0.30 0.00 0.00 42.92 41.97 1wo8 s ASP 81 CO 0.30 -0.69 1.94 -0.81 -0.17 0.00 0.00 175.17 175.73 1wo8 n PRO 82 N 5.09 0.86 -0.09 4.34 -0.04 -1.26 -3.39 135.00 140.52 1wo8 n PRO 82 Ca -0.11 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.44 1wo8 n PRO 82 Cb 0.42 -1.47 0.13 0.00 -0.04 0.00 0.00 33.50 32.54 1wo8 n PRO 82 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1wo8 n LEU 83 N -0.97 2.89 -4.01 1.53 4.77 -1.26 -4.96 117.00 114.98 1wo8 n LEU 83 Ca 0.20 -1.29 -0.14 0.00 -0.03 0.00 0.00 56.01 54.75 1wo8 n LEU 83 Cb 0.09 -0.11 -0.13 0.00 -2.33 0.00 0.00 43.42 40.94 1wo8 n LEU 83 CO 0.15 0.58 -0.40 0.42 -1.33 0.00 0.00 177.39 176.81 1wo8 s THR 84 N -1.43 0.44 -0.05 -5.08 -4.23 -1.22 -5.14 115.64 98.93 1wo8 s THR 84 Ca 0.28 -0.71 -0.12 0.00 -1.18 0.00 0.00 61.69 59.96 1wo8 s THR 84 Cb 0.17 -0.47 -0.05 0.00 1.34 0.00 0.00 72.50 73.50 1wo8 s THR 84 CO 0.25 -0.19 0.32 0.00 -0.54 0.00 0.00 174.62 174.46 1wo8 s ALA 85 N -0.86 3.74 0.09 3.99 0.00 -1.26 -4.93 121.76 122.53 1wo8 s ALA 85 Ca -0.05 -0.36 0.05 0.00 0.00 0.00 0.00 51.96 51.59 1wo8 s ALA 85 Cb -0.07 -2.26 -0.03 0.00 0.00 0.00 0.00 23.12 20.76 1wo8 s ALA 85 CO 0.00 0.49 -0.13 -1.59 0.00 0.00 0.00 175.76 174.53 1wo8 s LYS 86 N -0.93 0.87 0.54 0.00 -2.85 -1.26 -5.03 119.74 111.07 1wo8 s LYS 86 Ca 0.21 -1.07 0.31 0.00 -1.00 0.00 0.00 55.97 54.41 1wo8 s LYS 86 Cb -0.15 -0.75 1.49 0.00 -2.06 0.00 0.00 37.83 36.36 1wo8 s LYS 86 CO 0.10 0.15 2.06 -1.00 0.10 0.00 0.00 175.35 176.75 1wo8 h PRO 87 N 3.91 0.00 -0.85 1.78 0.13 -2.01 -2.66 132.00 132.30 1wo8 h PRO 87 Ca -0.39 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.55 1wo8 h PRO 87 Cb 1.19 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.21 1wo8 h PRO 87 CO 0.46 0.09 0.23 -2.39 -0.23 0.00 0.00 178.00 176.17 1wo8 n HIS 88 N -3.39 1.85 -0.38 1.56 1.44 -1.26 -4.43 115.22 110.61 1wo8 n HIS 88 Ca -0.01 -0.99 -0.02 0.00 -2.01 0.00 0.00 57.72 54.69 1wo8 n HIS 88 Cb 0.26 -0.57 0.11 0.00 0.12 0.00 0.00 29.99 29.91 1wo8 n HIS 88 CO 0.00 0.00 0.00 1.49 -2.81 0.00 0.00 176.34 175.02 1wo8 h GLU 89 N 1.80 1.32 -0.97 -1.40 4.57 -1.90 -1.68 114.58 116.32 1wo8 h GLU 89 Ca 0.23 -0.08 0.00 0.00 -1.18 0.00 0.00 59.36 58.33 1wo8 h GLU 89 Cb 1.95 -0.30 -0.05 0.00 -0.16 0.00 0.00 28.75 30.20 1wo8 h GLU 89 CO 0.57 0.88 0.62 -1.00 -1.18 0.00 0.00 179.01 178.90 1wo8 h PRO 90 N 1.36 1.29 -0.81 0.92 0.13 -1.87 -0.44 132.00 132.59 1wo8 h PRO 90 Ca 0.37 -0.10 0.01 0.00 -0.87 0.00 0.00 66.00 65.41 1wo8 h PRO 90 Cb -0.15 -0.28 -0.04 0.00 0.13 0.00 0.00 31.00 30.65 1wo8 h PRO 90 CO -0.08 0.88 0.53 -0.44 -0.23 0.00 0.00 178.00 178.65 1wo8 h ASP 91 N 1.32 0.94 0.02 1.44 5.19 -1.70 0.17 116.42 123.80 1wo8 h ASP 91 Ca 0.35 -0.03 -0.00 0.00 -0.62 0.00 0.00 57.03 56.73 1wo8 h ASP 91 Cb -0.11 -0.24 0.00 0.00 0.18 0.00 0.00 39.33 39.16 1wo8 h ASP 91 CO -0.07 0.69 -0.01 0.58 -3.12 0.00 0.00 179.24 177.31 1wo8 h VAL 92 N 1.10 1.06 -0.67 -1.35 2.07 -0.43 -0.56 116.25 117.47 1wo8 h VAL 92 Ca 0.30 -0.26 -0.03 0.00 0.82 0.00 0.00 66.70 67.53 1wo8 h VAL 92 Cb -0.11 1.24 -0.03 0.00 -1.52 0.00 0.00 31.29 30.86 1wo8 h VAL 92 CO -0.06 0.07 0.30 1.56 0.02 0.00 0.00 177.57 179.46 1wo8 h GLN 93 N -0.14 0.96 -0.46 1.57 1.08 -0.83 -1.86 115.11 115.43 1wo8 h GLN 93 Ca -0.00 -0.14 -0.09 0.00 -1.45 0.00 0.00 58.65 56.97 1wo8 h GLN 93 Cb 0.13 -0.18 -0.01 0.00 -0.05 0.00 0.00 27.48 27.37 1wo8 h GLN 93 CO 0.00 0.76 -0.08 0.00 -0.95 0.00 0.00 178.83 178.56 1wo8 h ALA 94 N 1.38 0.63 -0.33 3.87 0.00 -0.76 -0.73 119.26 123.32 1wo8 h ALA 94 Ca 0.23 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1wo8 h ALA 94 Cb 0.13 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1wo8 h ALA 94 CO -0.03 0.50 0.21 1.25 0.00 0.00 0.00 179.25 181.18 1wo8 h LEU 95 N 0.71 0.39 -0.87 0.00 5.85 -0.78 -0.69 115.31 119.93 1wo8 h LEU 95 Ca 0.12 -0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.77 1wo8 h LEU 95 Cb 0.62 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.51 1wo8 h LEU 95 CO 0.04 0.31 0.38 0.24 -0.34 0.00 0.00 178.44 179.07 1wo8 h MET 96 N 0.44 1.20 -0.40 1.25 2.86 -1.21 -1.45 114.93 117.62 1wo8 h MET 96 Ca 0.12 -0.19 -0.03 0.00 -2.06 0.00 0.00 59.70 57.55 1wo8 h MET 96 Cb -0.02 -0.21 -0.02 0.00 0.06 0.00 0.00 31.60 31.42 1wo8 h MET 96 CO -0.02 0.93 0.14 -0.09 1.06 0.00 0.00 176.91 178.93 1wo8 h ARG 97 N 1.18 0.61 -0.02 1.72 2.43 -0.72 -2.09 114.38 117.49 1wo8 h ARG 97 Ca 0.28 -0.12 -0.08 0.00 -0.81 0.00 0.00 59.98 59.25 1wo8 h ARG 97 Cb 0.14 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.59 1wo8 h ARG 97 CO -0.03 0.59 -0.38 0.28 -1.51 0.00 0.00 179.97 178.92 1wo8 h VAL 98 N 0.50 1.28 -0.57 0.20 2.07 -0.90 -0.67 116.25 118.16 1wo8 h VAL 98 Ca 0.13 -1.33 -0.05 0.00 0.82 0.00 0.00 66.70 66.28 1wo8 h VAL 98 Cb 0.22 1.69 -0.02 0.00 -1.52 0.00 0.00 31.29 31.65 1wo8 h VAL 98 CO -0.01 0.38 0.18 0.00 0.02 0.00 0.00 177.57 178.14 1wo8 h ASN 100 N 0.79 0.93 -0.79 0.00 2.35 -0.70 0.54 115.58 118.70 1wo8 h ASN 100 Ca 0.18 -0.26 -0.01 0.00 -0.55 0.00 0.00 56.30 55.66 1wo8 h ASN 100 Cb 0.28 -0.25 -0.04 0.00 0.05 0.00 0.00 38.32 38.37 1wo8 h ASN 100 CO -0.01 1.00 0.46 0.58 -1.65 0.00 0.00 177.43 177.81 1wo8 h VAL 101 N 0.86 1.23 -0.62 2.81 2.07 -0.80 -2.91 116.25 118.90 1wo8 h VAL 101 Ca 0.15 -0.53 0.00 0.00 0.82 0.00 0.00 66.70 67.14 1wo8 h VAL 101 Cb 0.55 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 30.48 1wo8 h VAL 101 CO 0.03 0.24 0.00 1.41 0.02 0.00 0.00 177.57 179.28 1wo8 n HIS 102 N -4.46 1.20 -2.99 1.57 8.25 -0.74 -4.96 115.22 113.10 1wo8 n HIS 102 Ca 0.07 -0.51 -0.22 0.00 -0.26 0.00 0.00 57.72 56.80 1wo8 n HIS 102 Cb 0.07 -0.15 0.03 0.00 1.12 0.00 0.00 29.99 31.06 1wo8 n HIS 102 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1wo8 n GLY 103 N 1.23 -0.52 3.58 -1.41 0.00 -0.56 -4.97 105.19 102.53 1wo8 n GLY 103 Ca 0.23 0.13 -0.40 0.00 0.00 0.00 0.00 46.02 45.98 1wo8 n GLY 103 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wo8 s VAL 104 N -3.18 5.16 0.27 1.61 1.01 0.07 -5.03 120.40 120.32 1wo8 s VAL 104 Ca 0.29 0.32 -0.31 0.00 0.00 0.00 0.00 61.98 62.28 1wo8 s VAL 104 Cb -0.13 -3.76 -0.12 0.00 0.00 0.00 0.00 36.38 32.37 1wo8 s VAL 104 CO 0.36 0.03 1.64 -2.16 0.00 0.00 0.00 175.10 174.97 1wo8 s PRO 105 N 2.06 4.11 -0.07 2.72 0.04 -1.26 -4.54 135.00 138.08 1wo8 s PRO 105 Ca 0.14 2.60 0.02 0.00 0.04 0.00 0.00 61.00 63.80 1wo8 s PRO 105 Cb -0.16 -3.04 0.01 0.00 0.04 0.00 0.00 34.50 31.36 1wo8 s PRO 105 CO 0.11 -0.68 -0.12 -1.17 0.04 0.00 0.00 177.00 175.17 1wo8 s LEU 106 N 0.04 1.65 -0.18 -3.56 0.20 -1.26 -0.99 118.68 114.57 1wo8 s LEU 106 Ca 0.67 -0.30 -0.05 0.00 0.69 0.00 0.00 54.13 55.13 1wo8 s LEU 106 Cb -0.49 -0.84 -0.03 0.00 -0.43 0.00 0.00 46.19 44.41 1wo8 s LEU 106 CO 0.43 0.03 0.01 0.00 -0.29 0.00 0.00 176.35 176.54 1wo8 s ALA 107 N 0.67 3.15 -1.07 5.97 0.00 -0.01 -4.99 121.76 125.48 1wo8 s ALA 107 Ca -0.14 -0.86 0.19 0.00 0.00 0.00 0.00 51.96 51.14 1wo8 s ALA 107 Cb -0.16 -1.76 -0.16 0.00 0.00 0.00 0.00 23.12 21.04 1wo8 s ALA 107 CO 0.04 0.06 0.83 0.25 0.00 0.00 0.00 175.76 176.93 1wo8 n THR 108 N 3.81 0.00 -4.12 0.00 -2.24 -1.26 -0.56 114.28 109.91 1wo8 n THR 108 Ca -0.17 -0.11 -0.11 0.00 -2.27 0.00 0.00 64.05 61.39 1wo8 n THR 108 Cb 0.52 1.05 -0.09 0.00 -2.10 0.00 0.00 70.33 69.72 1wo8 n THR 108 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1wo8 s ASN 109 N -2.63 0.10 0.16 3.42 2.20 -1.26 -2.67 114.94 114.25 1wo8 s ASN 109 Ca 0.09 -1.21 -0.17 0.00 -0.94 0.00 0.00 52.86 50.62 1wo8 s ASN 109 Cb 0.14 0.43 0.07 0.00 -2.00 0.00 0.00 41.25 39.89 1wo8 s ASN 109 CO 0.70 -0.91 1.69 0.25 -2.94 0.00 0.00 177.10 175.90 1wo8 h LEU 110 N 2.55 -0.22 -0.60 3.54 5.85 -1.96 -0.67 115.31 123.80 1wo8 h LEU 110 Ca -0.33 0.09 0.01 0.00 0.84 0.00 0.00 57.88 58.49 1wo8 h LEU 110 Cb 1.24 0.17 -0.03 0.00 0.37 0.00 0.00 40.66 42.42 1wo8 h LEU 110 CO 0.49 -0.07 0.39 0.58 -0.34 0.00 0.00 178.44 179.49 1wo8 h VAL 111 N 0.06 1.13 -0.27 1.05 2.07 -1.99 0.46 116.25 118.76 1wo8 h VAL 111 Ca 0.17 -0.27 -0.05 0.00 0.82 0.00 0.00 66.70 67.37 1wo8 h VAL 111 Cb 0.25 0.28 -0.02 0.00 -1.52 0.00 0.00 31.29 30.28 1wo8 h VAL 111 CO -0.32 0.14 -0.06 0.00 0.02 0.00 0.00 177.57 177.35 1wo8 h ALA 112 N 1.23 1.40 -0.57 1.67 0.00 -1.90 -1.80 119.26 119.30 1wo8 h ALA 112 Ca 0.23 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 1wo8 h ALA 112 Cb -0.06 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1wo8 h ALA 112 CO -0.06 0.42 0.11 0.00 0.00 0.00 0.00 179.25 179.71 1wo8 h ALA 113 N 1.54 0.75 -0.76 0.00 0.00 0.21 -0.31 119.26 120.68 1wo8 h ALA 113 Ca 0.08 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 1wo8 h ALA 113 Cb 0.36 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 1wo8 h ALA 113 CO 0.02 0.48 0.27 0.93 0.00 0.00 0.00 179.25 180.95 1wo8 h GLU 114 N 0.82 1.16 -0.37 0.00 4.39 -0.45 -0.16 114.58 119.97 1wo8 h GLU 114 Ca 0.17 -0.23 -0.11 0.00 0.34 0.00 0.00 59.36 59.53 1wo8 h GLU 114 Cb 0.39 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 28.85 1wo8 h GLU 114 CO 0.01 0.96 -0.22 0.00 -1.16 0.00 0.00 179.01 178.60 1wo8 h ALA 115 N 1.17 0.91 -0.22 3.43 0.00 -1.04 -2.77 119.26 120.72 1wo8 h ALA 115 Ca 0.25 -0.37 -0.12 0.00 0.00 0.00 0.00 54.91 54.68 1wo8 h ALA 115 Cb 0.26 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 1wo8 h ALA 115 CO -0.01 0.62 -0.31 1.25 0.00 0.00 0.00 179.25 180.79 1wo8 h LEU 116 N 0.65 0.66 -1.41 0.00 5.85 -0.65 -2.55 115.31 117.86 1wo8 h LEU 116 Ca 0.09 -0.51 -0.04 0.00 0.84 0.00 0.00 57.88 58.26 1wo8 h LEU 116 Cb 0.72 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.55 1wo8 h LEU 116 CO 0.06 1.04 0.00 -0.29 -0.34 0.00 0.00 178.44 178.91 1wo8 h ILE 117 N 0.30 1.16 -0.44 4.05 6.09 -1.02 0.62 117.51 128.26 1wo8 h ILE 117 Ca 0.02 -0.62 -0.13 0.00 -1.37 0.00 0.00 64.86 62.77 1wo8 h ILE 117 Cb 0.89 0.96 -0.01 0.00 0.47 0.00 0.00 36.82 39.13 1wo8 h ILE 117 CO 0.07 0.21 -0.23 0.00 -3.07 0.00 0.00 178.15 175.13 1wo8 h ALA 118 N 1.63 0.76 -0.43 0.18 0.00 -1.43 0.17 119.26 120.14 1wo8 h ALA 118 Ca 0.09 -0.39 -0.07 0.00 0.00 0.00 0.00 54.91 54.53 1wo8 h ALA 118 Cb 0.25 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1wo8 h ALA 118 CO 0.01 0.66 -0.02 2.35 0.00 0.00 0.00 179.25 182.24 1wo8 h TRP 119 N 0.78 0.85 -0.01 0.00 7.01 -0.87 -1.41 115.95 122.30 1wo8 h TRP 119 Ca 0.10 -0.16 -0.00 0.00 2.11 0.00 0.00 58.89 60.94 1wo8 h TRP 119 Cb 0.78 -0.22 -0.00 0.00 -2.10 0.00 0.00 29.16 27.62 1wo8 h TRP 119 CO 0.05 0.85 0.01 0.82 -2.79 0.00 0.00 178.44 177.37 1wo8 h ILE 120 N 0.61 1.15 -0.69 2.65 2.04 -0.74 -2.48 117.51 120.04 1wo8 h ILE 120 Ca 0.12 -0.43 0.08 0.00 1.00 0.00 0.00 64.86 65.63 1wo8 h ILE 120 Cb 0.52 1.41 -0.11 0.00 -0.74 0.00 0.00 36.82 37.91 1wo8 h ILE 120 CO 0.03 0.11 -0.54 -0.09 0.00 0.00 0.00 178.15 177.66 1wo8 h ARG 121 N -0.16 -0.19 -0.34 2.37 2.43 -0.58 -0.34 114.38 117.58 1wo8 h ARG 121 Ca 0.00 0.01 0.10 0.00 -0.81 0.00 0.00 59.98 59.29 1wo8 h ARG 121 Cb 0.18 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.76 1wo8 h ARG 121 CO -0.00 -0.13 0.29 -0.22 -1.51 0.00 0.00 179.97 178.40 1wo8 h LYS 122 N -0.20 0.00 -0.02 0.20 1.63 -1.06 -3.51 116.57 113.61 1wo8 h LYS 122 Ca 0.14 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.94 1wo8 h LYS 122 Cb 0.52 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.15 1wo8 h LYS 122 CO -0.76 0.00 0.00 0.41 -3.45 0.00 0.00 179.45 175.65