#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wo8 s LYS 2 N 0.00 2.95 0.37 3.17 1.02 -1.26 -4.85 119.74 121.15 1wo8 s LYS 2 Ca 0.00 1.73 0.02 0.00 0.02 0.00 0.00 55.97 57.74 1wo8 s LYS 2 Cb 0.00 -1.94 -0.02 0.00 -0.52 0.00 0.00 37.83 35.36 1wo8 s LYS 2 CO 0.00 -1.20 0.56 0.00 -0.92 0.00 0.00 175.35 173.80 1wo8 s ALA 3 N -1.75 3.85 -0.25 5.17 0.00 -0.75 -4.44 121.76 123.60 1wo8 s ALA 3 Ca 0.75 -1.11 -0.08 0.00 0.00 0.00 0.00 51.96 51.52 1wo8 s ALA 3 Cb -0.28 -1.99 -0.03 0.00 0.00 0.00 0.00 23.12 20.81 1wo8 s ALA 3 CO 0.34 -0.14 0.08 -0.51 0.00 0.00 0.00 175.76 175.53 1wo8 s LEU 4 N -4.35 3.53 -0.06 0.00 1.43 -0.17 -0.30 118.68 118.77 1wo8 s LEU 4 Ca 0.44 -0.17 -0.16 0.00 -1.03 0.00 0.00 54.13 53.21 1wo8 s LEU 4 Cb -0.10 -1.95 -0.05 0.00 0.03 0.00 0.00 46.19 44.12 1wo8 s LEU 4 CO 0.35 -0.03 0.44 0.00 0.23 0.00 0.00 176.35 177.34 1wo8 s ALA 5 N 1.57 3.59 -0.11 4.21 0.00 -0.31 -1.32 121.76 129.39 1wo8 s ALA 5 Ca 0.06 -0.21 0.01 0.00 0.00 0.00 0.00 51.96 51.83 1wo8 s ALA 5 Cb -0.15 -2.51 0.02 0.00 0.00 0.00 0.00 23.12 20.48 1wo8 s ALA 5 CO 0.05 0.25 -0.14 -0.51 0.00 0.00 0.00 175.76 175.41 1wo8 s LEU 6 N -0.27 1.64 -0.01 0.00 1.43 0.12 -0.80 118.68 120.78 1wo8 s LEU 6 Ca 0.24 -0.41 -0.01 0.00 -1.03 0.00 0.00 54.13 52.93 1wo8 s LEU 6 Cb -0.16 -1.04 0.00 0.00 0.03 0.00 0.00 46.19 45.02 1wo8 s LEU 6 CO 0.12 -0.01 0.04 -0.63 0.23 0.00 0.00 176.35 176.09 1wo8 s ILE 7 N 1.12 -0.00 -0.06 -0.59 1.01 -0.05 -3.37 121.20 119.26 1wo8 s ILE 7 Ca -0.04 0.01 -0.03 0.00 0.00 0.00 0.00 60.65 60.59 1wo8 s ILE 7 Cb -0.14 -0.06 0.03 0.00 0.01 0.00 0.00 42.46 42.30 1wo8 s ILE 7 CO -0.03 0.00 0.15 0.00 0.00 0.00 0.00 174.94 175.06 1wo8 s ALA 8 N 0.08 -0.28 0.69 9.38 0.00 -1.26 -0.87 121.76 129.49 1wo8 s ALA 8 Ca -0.00 0.63 -0.13 0.00 0.00 0.00 0.00 51.96 52.46 1wo8 s ALA 8 Cb -0.01 -0.41 0.01 0.00 0.00 0.00 0.00 23.12 22.71 1wo8 s ALA 8 CO -0.00 -0.14 1.08 -1.01 0.00 0.00 0.00 175.76 175.69 1wo8 s HIS 9 N 0.95 2.78 0.25 0.00 3.76 -0.52 -4.72 115.29 117.80 1wo8 s HIS 9 Ca -0.07 1.52 -0.08 0.00 -0.15 0.00 0.00 55.06 56.28 1wo8 s HIS 9 Cb -0.09 -3.04 0.43 0.00 1.11 0.00 0.00 32.58 30.99 1wo8 s HIS 9 CO -0.05 -1.52 1.61 -0.44 -0.85 0.00 0.00 174.74 173.49 1wo8 h ASP 10 N -0.45 -0.52 0.40 1.40 3.32 -2.00 0.17 116.42 118.73 1wo8 h ASP 10 Ca -0.45 0.22 0.00 0.00 0.02 0.00 0.00 57.03 56.82 1wo8 h ASP 10 Cb 1.23 0.42 0.00 0.00 0.22 0.00 0.00 39.33 41.20 1wo8 h ASP 10 CO 0.54 -0.23 0.00 0.00 -1.72 0.00 0.00 179.24 177.83 1wo8 n ALA 11 N -3.12 1.44 0.06 3.45 0.00 -1.26 -2.32 120.51 118.76 1wo8 n ALA 11 Ca 0.14 0.03 0.04 0.00 0.00 0.00 0.00 53.44 53.65 1wo8 n ALA 11 Cb 0.48 -1.24 0.08 0.00 0.00 0.00 0.00 19.45 18.76 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 -1.82 1.78 -0.05 0.00 4.76 0.54 -4.67 118.16 118.70 1wo8 n LYS 12 Ca 0.02 -1.52 -0.04 0.00 -2.87 0.00 0.00 58.31 53.90 1wo8 n LYS 12 Cb 0.13 -1.17 0.19 0.00 -1.84 0.00 0.00 35.03 32.34 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 1.47 0.64 -0.59 1.97 1.57 -1.01 -0.63 116.57 119.99 1wo8 h LYS 13 Ca 0.00 -0.20 -0.09 0.00 -1.87 0.00 0.00 60.65 58.49 1wo8 h LYS 13 Cb 0.53 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.75 1wo8 h LYS 13 CO 0.00 0.74 0.02 -0.44 -0.57 0.00 0.00 179.45 179.20 1wo8 h ASP 14 N 0.59 0.99 -0.71 0.86 3.32 -1.83 -0.50 116.42 119.14 1wo8 h ASP 14 Ca 0.11 -0.27 -0.03 0.00 0.02 0.00 0.00 57.03 56.86 1wo8 h ASP 14 Cb 0.54 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.79 1wo8 h ASP 14 CO 0.03 1.03 0.31 -0.08 -1.72 0.00 0.00 179.24 178.81 1wo8 h GLU 15 N 0.93 1.05 -0.36 3.56 4.81 -1.77 -1.00 114.58 121.80 1wo8 h GLU 15 Ca 0.17 -0.18 -0.04 0.00 -0.13 0.00 0.00 59.36 59.19 1wo8 h GLU 15 Cb 0.52 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.71 1wo8 h GLU 15 CO 0.03 0.85 0.07 1.98 -0.73 0.00 0.00 179.01 181.20 1wo8 h MET 16 N 1.01 0.59 -0.28 1.92 4.05 -0.68 -0.70 114.93 120.84 1wo8 h MET 16 Ca 0.24 -0.15 0.00 0.00 -0.28 0.00 0.00 59.70 59.51 1wo8 h MET 16 Cb 0.17 -0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 30.89 1wo8 h MET 16 CO -0.02 0.65 0.18 0.28 0.23 0.00 0.00 176.91 178.23 1wo8 h VAL 17 N 0.44 1.07 -0.66 -5.77 2.07 -0.81 -0.30 116.25 112.29 1wo8 h VAL 17 Ca 0.11 -0.14 -0.03 0.00 0.82 0.00 0.00 66.70 67.47 1wo8 h VAL 17 Cb 0.34 0.66 -0.03 0.00 -1.52 0.00 0.00 31.29 30.74 1wo8 h VAL 17 CO 0.01 0.07 0.30 0.00 0.02 0.00 0.00 177.57 177.97 1wo8 h ALA 18 N 1.10 1.29 -0.50 1.67 0.00 -1.08 -1.73 119.26 120.01 1wo8 h ALA 18 Ca 0.10 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1wo8 h ALA 18 Cb -0.04 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 1wo8 h ALA 18 CO -0.02 0.55 0.22 0.35 0.00 0.00 0.00 179.25 180.35 1wo8 h PHE 19 N 0.94 0.74 -0.12 0.00 3.57 -0.52 -1.22 116.94 120.34 1wo8 h PHE 19 Ca 0.23 -0.05 -0.12 0.00 3.53 0.00 0.00 57.97 61.56 1wo8 h PHE 19 Cb 0.12 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 38.62 1wo8 h PHE 19 CO 0.01 0.60 -0.45 0.00 -2.23 0.00 0.00 178.31 176.24 1wo8 h LEU 21 N 0.24 0.88 -1.15 0.00 3.38 -1.11 0.10 115.31 117.65 1wo8 h LEU 21 Ca 0.02 -0.39 -0.05 0.00 0.09 0.00 0.00 57.88 57.55 1wo8 h LEU 21 Cb 0.90 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.38 1wo8 h LEU 21 CO 0.07 1.08 0.09 -0.09 0.09 0.00 0.00 178.44 179.68 1wo8 h ARG 22 N 0.68 0.68 -0.24 1.13 2.43 -0.98 -3.07 114.38 115.02 1wo8 h ARG 22 Ca 0.10 -0.14 -0.12 0.00 -0.81 0.00 0.00 59.98 59.01 1wo8 h ARG 22 Cb 0.73 -0.11 -0.07 0.00 -0.42 0.00 0.00 29.97 30.10 1wo8 h ARG 22 CO 0.06 0.64 -0.22 0.72 -1.51 0.00 0.00 179.97 179.66 1wo8 n HIS 23 N -4.29 0.73 -0.21 2.20 8.25 -0.69 -4.82 115.22 116.39 1wo8 n HIS 23 Ca 0.03 -1.57 0.01 0.00 -0.26 0.00 0.00 57.72 55.94 1wo8 n HIS 23 Cb 0.22 -0.41 0.12 0.00 1.12 0.00 0.00 29.99 31.04 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 1.00 0.23 -0.66 -0.41 3.64 -0.70 -1.74 116.57 117.93 1wo8 h LYS 24 Ca 0.15 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.49 1wo8 h LYS 24 Cb 1.44 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 33.18 1wo8 h LYS 24 CO 0.26 0.15 0.34 -0.44 -2.27 0.00 0.00 179.45 177.49 1wo8 h ASP 25 N 0.24 0.85 -0.34 4.20 3.32 -1.87 -1.46 116.42 121.36 1wo8 h ASP 25 Ca 0.33 -0.12 -0.17 0.00 0.02 0.00 0.00 57.03 57.10 1wo8 h ASP 25 Cb 0.51 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.84 1wo8 h ASP 25 CO -0.44 0.73 -0.44 0.58 -1.72 0.00 0.00 179.24 177.95 1wo8 h VAL 26 N 0.91 1.27 0.00 -1.35 2.07 -1.87 -3.08 116.25 114.21 1wo8 h VAL 26 Ca 0.23 -1.61 -0.07 0.00 0.82 0.00 0.00 66.70 66.07 1wo8 h VAL 26 Cb 0.08 1.46 -0.01 0.00 -1.52 0.00 0.00 31.29 31.30 1wo8 h VAL 26 CO -0.03 0.54 -0.31 -0.07 0.02 0.00 0.00 177.57 177.71 1wo8 h LEU 27 N 0.73 0.00 -1.02 2.57 3.38 -1.17 -2.24 115.31 117.56 1wo8 h LEU 27 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1wo8 h LEU 27 Cb 1.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.78 1wo8 h LEU 27 CO 0.10 0.31 0.00 0.00 0.09 0.00 0.00 178.44 178.95 1wo8 h ALA 28 N 1.69 1.00 -0.00 1.53 0.00 -1.17 -2.41 119.26 119.89 1wo8 h ALA 28 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1wo8 h ALA 28 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1wo8 h ALA 28 CO 0.04 0.00 -0.30 0.54 0.00 0.00 0.00 179.25 179.53 1wo8 n ARG 29 N -2.33 0.31 -4.36 0.00 1.74 -0.84 -4.92 116.66 106.25 1wo8 n ARG 29 Ca 0.01 -0.15 -0.21 0.00 -0.77 0.00 0.00 57.85 56.72 1wo8 n ARG 29 Cb 0.18 -1.50 -0.11 0.00 -1.02 0.00 0.00 32.46 30.02 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 -2.79 1.88 0.14 -1.55 1.51 -0.91 -5.10 117.35 110.53 1wo8 s TYR 30 Ca 0.18 -0.47 -0.30 0.00 -1.01 0.00 0.00 57.07 55.46 1wo8 s TYR 30 Cb 0.19 -0.90 -0.07 0.00 -0.11 0.00 0.00 41.96 41.06 1wo8 s TYR 30 CO 0.60 0.41 1.24 -2.14 -1.11 0.00 0.00 175.55 174.54 1wo8 s PRO 31 N -3.16 4.44 -0.10 -1.71 0.02 -1.26 -4.91 135.00 128.31 1wo8 s PRO 31 Ca 0.20 1.90 -0.02 0.00 0.02 0.00 0.00 61.00 63.10 1wo8 s PRO 31 Cb -0.04 -3.27 -0.03 0.00 0.02 0.00 0.00 34.50 31.18 1wo8 s PRO 31 CO 0.08 -0.21 -0.03 -0.51 -0.33 0.00 0.00 177.00 176.00 1wo8 s LEU 32 N 0.35 3.37 -0.05 -5.54 1.43 -1.26 -1.00 118.68 115.98 1wo8 s LEU 32 Ca 0.57 0.01 0.03 0.00 -1.03 0.00 0.00 54.13 53.71 1wo8 s LEU 32 Cb -0.33 -1.77 0.00 0.00 0.03 0.00 0.00 46.19 44.12 1wo8 s LEU 32 CO 0.34 0.31 -0.14 -0.22 0.23 0.00 0.00 176.35 176.86 1wo8 s LEU 33 N -0.45 1.80 0.09 1.79 2.96 -0.43 -0.51 118.68 123.92 1wo8 s LEU 33 Ca 0.07 -0.31 -0.13 0.00 -0.22 0.00 0.00 54.13 53.55 1wo8 s LEU 33 Cb -0.12 -0.85 0.02 0.00 0.50 0.00 0.00 46.19 45.74 1wo8 s LEU 33 CO 0.02 0.09 0.31 0.00 -1.32 0.00 0.00 176.35 175.45 1wo8 s ALA 34 N 0.30 -0.64 0.72 5.97 0.00 -0.17 0.12 121.76 128.07 1wo8 s ALA 34 Ca -0.08 -0.21 -0.13 0.00 0.00 0.00 0.00 51.96 51.54 1wo8 s ALA 34 Cb -0.13 0.51 0.03 0.00 0.00 0.00 0.00 23.12 23.54 1wo8 s ALA 34 CO 0.03 -0.53 1.11 0.95 0.00 0.00 0.00 175.76 177.32 1wo8 s THR 35 N -3.44 3.13 0.08 0.00 -4.23 -1.22 -1.22 115.64 108.74 1wo8 s THR 35 Ca 0.01 0.46 -0.15 0.00 -1.18 0.00 0.00 61.69 60.84 1wo8 s THR 35 Cb 0.02 -2.95 -0.03 0.00 1.34 0.00 0.00 72.50 70.88 1wo8 s THR 35 CO -0.09 -0.39 1.12 0.61 -0.54 0.00 0.00 174.62 175.33 1wo8 n GLY 36 N -0.65 -2.46 0.22 3.99 0.00 -0.33 -0.62 105.19 105.34 1wo8 n GLY 36 Ca 0.10 0.80 -0.14 0.00 0.00 0.00 0.00 46.02 46.77 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 1.30 -0.55 2.61 2.02 -1.87 -1.78 112.91 114.64 1wo8 h THR 37 Ca 0.08 -1.64 0.02 0.00 0.77 0.00 0.00 66.41 65.64 1wo8 h THR 37 Cb 0.20 1.72 -0.03 0.00 -1.74 0.00 0.00 68.15 68.29 1wo8 h THR 37 CO -0.45 0.52 0.34 0.74 0.37 0.00 0.00 175.52 177.04 1wo8 h THR 38 N 0.48 1.07 -0.53 3.16 2.02 -1.84 -0.78 112.91 116.49 1wo8 h THR 38 Ca 0.02 -0.23 -0.00 0.00 0.77 0.00 0.00 66.41 66.97 1wo8 h THR 38 Cb 1.04 0.34 -0.03 0.00 -1.74 0.00 0.00 68.15 67.76 1wo8 h THR 38 CO 0.10 0.12 0.32 1.23 0.37 0.00 0.00 175.52 177.66 1wo8 h GLY 39 N 0.67 0.76 0.99 2.16 0.00 -0.78 -1.19 103.07 105.67 1wo8 h GLY 39 Ca 0.22 -0.31 -0.01 0.00 0.00 0.00 0.00 47.33 47.23 1wo8 h GLY 39 CO -0.09 0.30 0.34 0.00 0.00 0.00 0.00 176.54 177.09 1wo8 h ALA 40 N 1.16 0.74 -0.62 3.60 0.00 -0.85 -0.02 119.26 123.27 1wo8 h ALA 40 Ca 0.19 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 1wo8 h ALA 40 Cb -0.03 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 1wo8 h ALA 40 CO -0.04 0.23 0.18 0.00 0.00 0.00 0.00 179.25 179.62 1wo8 h ARG 41 N 0.78 0.96 -0.07 0.00 2.47 -0.86 -1.37 114.38 116.28 1wo8 h ARG 41 Ca 0.21 -0.19 -0.02 0.00 -1.26 0.00 0.00 59.98 58.71 1wo8 h ARG 41 Cb 0.00 -0.14 -0.00 0.00 -1.65 0.00 0.00 29.97 28.18 1wo8 h ARG 41 CO -0.04 0.83 -0.04 0.82 0.56 0.00 0.00 179.97 182.10 1wo8 h ILE 42 N 0.92 1.34 -0.26 2.04 2.04 -0.85 -2.57 117.51 120.17 1wo8 h ILE 42 Ca 0.20 -1.10 0.04 0.00 1.00 0.00 0.00 64.86 65.00 1wo8 h ILE 42 Cb 0.29 1.94 -0.04 0.00 -0.74 0.00 0.00 36.82 38.27 1wo8 h ILE 42 CO -0.01 0.30 0.00 1.56 0.00 0.00 0.00 178.15 180.01 1wo8 h GLN 43 N -0.25 0.08 0.00 2.37 4.20 -0.85 -0.53 115.11 120.13 1wo8 h GLN 43 Ca 0.01 -0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.65 1wo8 h GLN 43 Cb 0.51 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.26 1wo8 h GLN 43 CO 0.01 0.05 -0.33 1.05 -0.67 0.00 0.00 178.83 178.94 1wo8 h GLU 44 N 0.08 0.00 0.00 1.46 4.11 -1.30 0.22 114.58 119.14 1wo8 h GLU 44 Ca 0.12 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.55 1wo8 h GLU 44 Cb 0.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.41 1wo8 h GLU 44 CO -0.21 0.33 -1.09 0.00 0.07 0.00 0.00 179.01 178.11 1wo8 n ALA 45 N -2.30 2.90 0.00 1.06 0.00 -0.97 -4.60 120.51 116.60 1wo8 n ALA 45 Ca -0.00 -0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.11 1wo8 n ALA 45 Cb 0.46 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.89 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 -2.32 0.00 -0.97 0.00 -2.24 -0.23 -5.00 114.28 103.52 1wo8 n THR 46 Ca 0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 1wo8 n THR 46 Cb 0.50 0.04 0.00 0.00 -2.10 0.00 0.00 70.33 68.77 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 1.86 0.83 3.77 3.38 0.00 0.76 -5.00 105.19 110.78 1wo8 n GLY 47 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 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 4.18 -0.10 0.99 1.43 -1.26 -4.96 118.68 118.96 1wo8 s LEU 48 Ca 0.00 2.48 -0.30 0.00 -1.03 0.00 0.00 54.13 55.28 1wo8 s LEU 48 Cb 0.00 -4.00 -0.02 0.00 0.03 0.00 0.00 46.19 42.20 1wo8 s LEU 48 CO 0.00 -0.79 1.21 0.00 0.23 0.00 0.00 176.35 177.00 1wo8 s ALA 49 N -1.35 3.55 -0.06 4.21 0.00 -1.26 -4.51 121.76 122.34 1wo8 s ALA 49 Ca 0.58 0.55 -0.00 0.00 0.00 0.00 0.00 51.96 53.09 1wo8 s ALA 49 Cb -0.34 -3.55 0.02 0.00 0.00 0.00 0.00 23.12 19.26 1wo8 s ALA 49 CO 0.43 -0.90 -0.02 0.08 0.00 0.00 0.00 175.76 175.34 1wo8 s VAL 50 N 2.65 0.48 -0.15 0.00 1.01 -1.26 -4.28 120.40 118.86 1wo8 s VAL 50 Ca 0.55 -0.02 -0.28 0.00 0.00 0.00 0.00 61.98 62.23 1wo8 s VAL 50 Cb -0.23 -0.56 -0.01 0.00 0.00 0.00 0.00 36.38 35.58 1wo8 s VAL 50 CO 0.19 0.24 0.97 -0.70 0.00 0.00 0.00 175.10 175.80 1wo8 s GLU 51 N 1.40 4.36 -0.14 2.72 2.12 0.33 -4.94 118.70 124.54 1wo8 s GLU 51 Ca -0.03 1.29 -0.05 0.00 0.36 0.00 0.00 54.97 56.54 1wo8 s GLU 51 Cb -0.13 -3.57 -0.03 0.00 0.26 0.00 0.00 34.13 30.65 1wo8 s GLU 51 CO -0.03 -0.38 0.02 1.03 -0.54 0.00 0.00 175.26 175.36 1wo8 s ARG 52 N 2.30 3.57 0.00 4.30 0.52 -1.26 -1.00 118.95 127.38 1wo8 s ARG 52 Ca 0.45 -0.40 0.00 0.00 -0.52 0.00 0.00 55.73 55.25 1wo8 s ARG 52 Cb -0.17 -3.00 0.00 0.00 0.52 0.00 0.00 34.95 32.30 1wo8 s ARG 52 CO 0.14 0.42 0.00 1.33 0.02 0.00 0.00 175.30 177.21 1wo8 n VAL 53 N 3.05 0.00 -1.07 3.52 0.24 -0.36 -4.90 118.33 118.81 1wo8 n VAL 53 Ca -0.18 0.00 -0.29 0.00 -2.04 0.00 0.00 64.34 61.83 1wo8 n VAL 53 Cb 0.53 -0.71 0.18 0.00 -1.47 0.00 0.00 33.84 32.36 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 1.73 0.80 1.34 1.43 -1.26 -1.19 118.68 121.52 1wo8 s LEU 54 Ca 0.00 1.37 -0.11 0.00 -1.03 0.00 0.00 54.13 54.36 1wo8 s LEU 54 Cb 0.00 -3.59 0.07 0.00 0.03 0.00 0.00 46.19 42.70 1wo8 s LEU 54 CO 0.00 -3.15 1.09 -0.94 0.23 0.00 0.00 176.35 173.59 1wo8 s SER 55 N -3.27 4.29 0.13 2.29 1.04 -1.26 -1.53 113.70 115.39 1wo8 s SER 55 Ca 0.65 1.80 -0.22 0.00 0.48 0.00 0.00 55.95 58.67 1wo8 s SER 55 Cb -0.19 -2.48 -0.03 0.00 0.10 0.00 0.00 66.02 63.42 1wo8 s SER 55 CO 0.58 -2.17 1.68 1.23 0.98 0.00 0.00 173.24 175.54 1wo8 h GLY 56 N -1.22 -0.01 0.98 7.32 0.00 -1.93 0.41 103.07 108.61 1wo8 h GLY 56 Ca -0.44 0.14 0.14 0.00 0.00 0.00 0.00 47.33 47.16 1wo8 h GLY 56 CO 0.51 -0.13 0.38 -2.55 0.00 0.00 0.00 176.54 174.76 1wo8 h PRO 57 N -0.13 0.12 -0.04 4.80 0.11 -1.97 -0.74 132.00 134.15 1wo8 h PRO 57 Ca 0.09 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.19 1wo8 h PRO 57 Cb 0.26 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.34 1wo8 h PRO 57 CO -0.22 0.08 0.00 1.28 -0.21 0.00 0.00 178.00 178.93 1wo8 n LEU 58 N -4.42 1.38 0.00 2.35 4.77 -0.71 -4.91 117.00 115.46 1wo8 n LEU 58 Ca 0.10 -0.49 0.00 0.00 -0.03 0.00 0.00 56.01 55.59 1wo8 n LEU 58 Cb 0.53 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 1wo8 n LEU 58 CO 0.36 0.24 0.00 0.61 -1.33 0.00 0.00 177.39 177.27 1wo8 n GLY 59 N 1.15 1.15 0.31 -0.72 0.00 -0.29 -4.86 105.19 101.93 1wo8 n GLY 59 Ca 0.19 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.30 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 0.29 1.60 -0.02 0.00 -1.02 -1.28 103.07 102.63 1wo8 h GLY 60 Ca 0.00 -0.10 -0.04 0.00 0.00 0.00 0.00 47.33 47.19 1wo8 h GLY 60 CO 0.00 0.08 0.05 -0.55 0.00 0.00 0.00 176.54 176.12 1wo8 h ASP 61 N 0.25 0.47 0.44 0.19 5.19 -1.80 -1.88 116.42 119.27 1wo8 h ASP 61 Ca 0.14 -0.07 -0.18 0.00 -0.62 0.00 0.00 57.03 56.30 1wo8 h ASP 61 Cb 0.26 -0.12 -0.01 0.00 0.18 0.00 0.00 39.33 39.64 1wo8 h ASP 61 CO -0.03 0.51 -0.77 -0.07 -3.12 0.00 0.00 179.24 175.77 1wo8 h LEU 62 N 0.50 0.32 -0.54 1.55 3.38 -1.55 -0.06 115.31 118.91 1wo8 h LEU 62 Ca 0.11 -0.23 -0.09 0.00 0.09 0.00 0.00 57.88 57.77 1wo8 h LEU 62 Cb 0.25 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 1wo8 h LEU 62 CO 0.00 0.97 0.00 1.56 0.09 0.00 0.00 178.44 181.06 1wo8 h GLN 63 N 0.17 0.96 -0.36 1.13 4.20 -1.15 0.13 115.11 120.19 1wo8 h GLN 63 Ca -0.03 -0.30 -0.16 0.00 0.06 0.00 0.00 58.65 58.21 1wo8 h GLN 63 Cb 1.34 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 29.03 1wo8 h GLN 63 CO 0.12 0.97 -0.42 0.82 -0.67 0.00 0.00 178.83 179.65 1wo8 h ILE 64 N 0.84 1.27 -0.63 2.54 2.04 -1.30 -2.43 117.51 119.85 1wo8 h ILE 64 Ca 0.15 -1.59 -0.01 0.00 1.00 0.00 0.00 64.86 64.41 1wo8 h ILE 64 Cb 0.53 1.44 -0.03 0.00 -0.74 0.00 0.00 36.82 38.02 1wo8 h ILE 64 CO 0.03 0.53 0.35 1.23 0.00 0.00 0.00 178.15 180.28 1wo8 h GLY 65 N 0.80 0.92 1.01 5.37 0.00 -0.69 -0.10 103.07 110.38 1wo8 h GLY 65 Ca 0.05 -0.40 -0.06 0.00 0.00 0.00 0.00 47.33 46.92 1wo8 h GLY 65 CO 0.10 0.38 0.11 0.00 0.00 0.00 0.00 176.54 177.13 1wo8 h ALA 66 N 1.51 0.74 -0.75 3.60 0.00 -0.55 -0.54 119.26 123.27 1wo8 h ALA 66 Ca 0.22 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 1wo8 h ALA 66 Cb 0.02 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 1wo8 h ALA 66 CO -0.04 0.47 0.31 0.00 0.00 0.00 0.00 179.25 180.00 1wo8 h ARG 67 N 0.81 1.11 -0.29 0.00 2.47 -0.85 -1.81 114.38 115.82 1wo8 h ARG 67 Ca 0.17 -0.19 -0.02 0.00 -1.26 0.00 0.00 59.98 58.69 1wo8 h ARG 67 Cb 0.39 -0.19 -0.01 0.00 -1.65 0.00 0.00 29.97 28.51 1wo8 h ARG 67 CO 0.01 0.89 0.12 0.28 0.56 0.00 0.00 179.97 181.83 1wo8 h VAL 68 N 1.09 1.18 0.00 2.04 2.07 -0.65 -1.79 116.25 120.18 1wo8 h VAL 68 Ca 0.25 -0.53 -0.02 0.00 0.82 0.00 0.00 66.70 67.23 1wo8 h VAL 68 Cb 0.18 0.99 -0.00 0.00 -1.52 0.00 0.00 31.29 30.94 1wo8 h VAL 68 CO -0.02 0.18 -0.07 0.00 0.02 0.00 0.00 177.57 177.68 1wo8 h ALA 69 N 0.96 1.82 -0.11 1.67 0.00 -0.75 -1.46 119.26 121.39 1wo8 h ALA 69 Ca 0.10 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1wo8 h ALA 69 Cb 0.18 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1wo8 h ALA 69 CO -0.01 0.09 0.00 0.39 0.00 0.00 0.00 179.25 179.72 1wo8 n GLU 70 N -4.36 1.50 -1.84 0.00 1.02 -0.71 -4.92 120.64 111.33 1wo8 n GLU 70 Ca -0.03 -0.75 -0.08 0.00 -0.02 0.00 0.00 57.16 56.27 1wo8 n GLU 70 Cb 0.15 -1.36 -0.02 0.00 -0.02 0.00 0.00 31.44 30.19 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 1.03 0.37 1.11 0.62 0.00 -0.55 -4.93 105.19 102.84 1wo8 n GLY 71 Ca 0.16 -0.57 0.09 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.14 2.97 -4.51 1.61 5.02 -0.70 -4.92 118.16 115.48 1wo8 n LYS 72 Ca -0.10 -2.49 -0.27 0.00 -2.02 0.00 0.00 58.31 53.43 1wo8 n LYS 72 Cb 0.47 -1.53 -0.17 0.00 -0.02 0.00 0.00 35.03 33.78 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 -1.25 1.39 0.03 -0.18 1.01 -1.25 -1.80 120.40 118.34 1wo8 s VAL 73 Ca 0.40 -0.59 -0.16 0.00 0.00 0.00 0.00 61.98 61.63 1wo8 s VAL 73 Cb 0.22 -1.27 -0.36 0.00 0.00 0.00 0.00 36.38 34.98 1wo8 s VAL 73 CO 0.24 0.42 0.98 0.25 0.00 0.00 0.00 175.10 176.99 1wo8 h LEU 74 N 7.28 0.85 -7.00 3.92 5.85 -0.91 -3.46 115.31 121.83 1wo8 h LEU 74 Ca -0.30 -0.92 0.01 0.00 0.84 0.00 0.00 57.88 57.50 1wo8 h LEU 74 Cb 1.18 -0.28 -0.14 0.00 0.37 0.00 0.00 40.66 41.79 1wo8 h LEU 74 CO 0.48 1.72 0.28 0.00 -0.34 0.00 0.00 178.44 180.58 1wo8 s ALA 75 N -2.60 -1.69 -0.09 1.25 0.00 -1.24 -4.28 121.76 113.11 1wo8 s ALA 75 Ca -0.09 0.78 0.02 0.00 0.00 0.00 0.00 51.96 52.67 1wo8 s ALA 75 Cb 0.04 0.58 0.02 0.00 0.00 0.00 0.00 23.12 23.75 1wo8 s ALA 75 CO 0.94 -0.67 -0.12 0.08 0.00 0.00 0.00 175.76 176.00 1wo8 s VAL 76 N -3.09 1.22 -0.35 0.00 1.01 -0.38 -1.16 120.40 117.66 1wo8 s VAL 76 Ca -0.00 -0.49 -0.06 0.00 0.00 0.00 0.00 61.98 61.43 1wo8 s VAL 76 Cb -0.01 -1.14 0.05 0.00 0.00 0.00 0.00 36.38 35.28 1wo8 s VAL 76 CO -0.08 0.38 0.11 -0.69 0.00 0.00 0.00 175.10 174.83 1wo8 s VAL 77 N 0.98 3.73 -0.44 2.92 1.01 0.02 -1.01 120.40 127.61 1wo8 s VAL 77 Ca -0.08 -1.21 0.04 0.00 0.00 0.00 0.00 61.98 60.72 1wo8 s VAL 77 Cb -0.15 -3.15 0.12 0.00 0.00 0.00 0.00 36.38 33.20 1wo8 s VAL 77 CO -0.00 -0.22 0.18 0.12 0.00 0.00 0.00 175.10 175.18 1wo8 s PHE 78 N 1.38 3.16 -0.70 5.22 2.19 0.36 -0.87 117.98 128.72 1wo8 s PHE 78 Ca -0.01 -2.96 -0.27 0.00 0.33 0.00 0.00 56.93 54.01 1wo8 s PHE 78 Cb -0.20 -2.69 0.02 0.00 -1.31 0.00 0.00 43.02 38.84 1wo8 s PHE 78 CO 0.02 -0.82 1.35 -0.51 1.83 0.00 0.00 175.22 177.09 1wo8 s LEU 79 N 0.26 3.22 0.34 6.12 1.43 -0.05 -4.03 118.68 125.98 1wo8 s LEU 79 Ca 0.15 -0.25 -0.08 0.00 -1.03 0.00 0.00 54.13 52.92 1wo8 s LEU 79 Cb -0.23 -2.65 -0.06 0.00 0.03 0.00 0.00 46.19 43.28 1wo8 s LEU 79 CO -0.04 -1.86 0.66 -1.10 0.23 0.00 0.00 176.35 174.24 1wo8 s GLN 80 N 5.81 3.73 -0.47 1.70 -0.21 -1.07 -1.44 119.66 127.71 1wo8 s GLN 80 Ca 0.41 0.27 -0.12 0.00 0.02 0.00 0.00 55.36 55.94 1wo8 s GLN 80 Cb -0.09 -2.52 0.10 0.00 1.00 0.00 0.00 33.01 31.50 1wo8 s GLN 80 CO 0.17 0.11 0.37 0.34 -2.12 0.00 0.00 175.29 174.16 1wo8 s ASP 81 N -3.05 5.87 0.00 5.90 2.15 -1.26 -4.91 116.67 121.37 1wo8 s ASP 81 Ca 0.48 -1.67 0.23 0.00 0.43 0.00 0.00 52.55 52.02 1wo8 s ASP 81 Cb -0.11 -2.08 1.20 0.00 -0.30 0.00 0.00 42.92 41.63 1wo8 s ASP 81 CO 0.29 -0.68 1.76 -0.81 -0.17 0.00 0.00 175.17 175.56 1wo8 n PRO 82 N 5.04 0.38 -0.20 4.34 -0.04 -1.26 -3.35 135.00 139.91 1wo8 n PRO 82 Ca -0.11 0.06 0.09 0.00 -0.04 0.00 0.00 63.50 63.51 1wo8 n PRO 82 Cb 0.42 -1.50 0.20 0.00 -0.04 0.00 0.00 33.50 32.57 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 -1.25 3.23 -3.95 1.53 4.77 -1.26 -4.94 117.00 115.13 1wo8 n LEU 83 Ca 0.12 -1.67 -0.17 0.00 -0.03 0.00 0.00 56.01 54.25 1wo8 n LEU 83 Cb 0.17 -0.26 -0.15 0.00 -2.33 0.00 0.00 43.42 40.85 1wo8 n LEU 83 CO 0.17 0.74 -0.41 -0.89 -1.33 0.00 0.00 177.39 175.68 1wo8 s THR 84 N -1.18 0.49 -0.02 -5.08 2.01 -1.21 -5.14 115.64 105.51 1wo8 s THR 84 Ca 0.33 -0.22 -0.18 0.00 0.31 0.00 0.00 61.69 61.94 1wo8 s THR 84 Cb 0.19 -0.45 -0.05 0.00 0.01 0.00 0.00 72.50 72.20 1wo8 s THR 84 CO 0.25 0.16 0.50 0.00 -0.69 0.00 0.00 174.62 174.85 1wo8 s ALA 85 N 0.16 3.57 0.06 7.40 0.00 -1.26 -4.93 121.76 126.77 1wo8 s ALA 85 Ca -0.02 -0.10 0.05 0.00 0.00 0.00 0.00 51.96 51.89 1wo8 s ALA 85 Cb -0.06 -2.59 -0.03 0.00 0.00 0.00 0.00 23.12 20.45 1wo8 s ALA 85 CO -0.00 0.27 -0.14 -1.59 0.00 0.00 0.00 175.76 174.30 1wo8 s LYS 86 N -0.44 0.85 0.54 0.00 -2.85 -1.26 -5.03 119.74 111.54 1wo8 s LYS 86 Ca 0.27 -0.90 0.32 0.00 -1.00 0.00 0.00 55.97 54.66 1wo8 s LYS 86 Cb -0.17 -0.85 1.50 0.00 -2.06 0.00 0.00 37.83 36.24 1wo8 s LYS 86 CO 0.15 0.20 2.05 -1.00 0.10 0.00 0.00 175.35 176.85 1wo8 h PRO 87 N 4.48 0.00 -0.79 1.78 0.13 -2.02 -2.57 132.00 133.01 1wo8 h PRO 87 Ca -0.40 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.67 1wo8 h PRO 87 Cb 1.19 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.28 1wo8 h PRO 87 CO 0.41 0.08 0.08 -2.39 -0.23 0.00 0.00 178.00 175.95 1wo8 n HIS 88 N -3.34 1.43 -0.30 1.56 1.44 -1.26 -4.37 115.22 110.39 1wo8 n HIS 88 Ca -0.01 -0.62 0.01 0.00 -2.01 0.00 0.00 57.72 55.09 1wo8 n HIS 88 Cb 0.26 -0.42 0.20 0.00 0.12 0.00 0.00 29.99 30.15 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 2.16 1.10 -0.87 -1.40 4.57 -1.89 -1.44 114.58 116.81 1wo8 h GLU 89 Ca 0.08 -0.07 -0.02 0.00 -1.18 0.00 0.00 59.36 58.17 1wo8 h GLU 89 Cb 1.58 -0.25 -0.04 0.00 -0.16 0.00 0.00 28.75 29.88 1wo8 h GLU 89 CO 0.38 0.73 0.47 -1.00 -1.18 0.00 0.00 179.01 178.41 1wo8 h PRO 90 N 1.13 1.21 -0.90 0.92 0.13 -1.86 -1.00 132.00 131.62 1wo8 h PRO 90 Ca 0.34 -0.14 0.05 0.00 -0.87 0.00 0.00 66.00 65.38 1wo8 h PRO 90 Cb -0.02 -0.24 -0.06 0.00 0.13 0.00 0.00 31.00 30.81 1wo8 h PRO 90 CO -0.10 0.89 0.57 -0.44 -0.23 0.00 0.00 178.00 178.70 1wo8 h ASP 91 N 1.21 0.93 -0.05 1.44 5.19 -1.61 0.25 116.42 123.77 1wo8 h ASP 91 Ca 0.30 0.01 -0.00 0.00 -0.62 0.00 0.00 57.03 56.72 1wo8 h ASP 91 Cb 0.04 -0.19 -0.00 0.00 0.18 0.00 0.00 39.33 39.36 1wo8 h ASP 91 CO -0.05 0.61 0.02 0.58 -3.12 0.00 0.00 179.24 177.28 1wo8 h VAL 92 N 1.07 1.16 -0.57 -1.35 2.07 -0.64 -1.17 116.25 116.81 1wo8 h VAL 92 Ca 0.38 -0.49 -0.05 0.00 0.82 0.00 0.00 66.70 67.36 1wo8 h VAL 92 Cb 0.11 1.40 -0.03 0.00 -1.52 0.00 0.00 31.29 31.25 1wo8 h VAL 92 CO -0.15 0.14 0.15 1.56 0.02 0.00 0.00 177.57 179.28 1wo8 h GLN 93 N -0.10 0.88 -0.43 1.57 1.08 -0.83 -1.51 115.11 115.76 1wo8 h GLN 93 Ca 0.02 -0.18 -0.07 0.00 -1.45 0.00 0.00 58.65 56.97 1wo8 h GLN 93 Cb 0.20 -0.13 -0.02 0.00 -0.05 0.00 0.00 27.48 27.48 1wo8 h GLN 93 CO -0.00 0.78 0.02 0.00 -0.95 0.00 0.00 178.83 178.68 1wo8 h ALA 94 N 1.31 0.58 -0.40 3.87 0.00 -0.83 0.14 119.26 123.94 1wo8 h ALA 94 Ca 0.19 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1wo8 h ALA 94 Cb 0.29 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1wo8 h ALA 94 CO -0.00 0.36 0.23 1.25 0.00 0.00 0.00 179.25 181.08 1wo8 h LEU 95 N 0.60 0.49 -0.87 0.00 5.85 -0.92 -0.47 115.31 119.99 1wo8 h LEU 95 Ca 0.13 -0.08 -0.05 0.00 0.84 0.00 0.00 57.88 58.72 1wo8 h LEU 95 Cb 0.46 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.34 1wo8 h LEU 95 CO 0.02 0.43 0.25 0.24 -0.34 0.00 0.00 178.44 179.04 1wo8 h MET 96 N 0.52 1.08 -0.27 1.25 2.86 -1.12 -1.70 114.93 117.55 1wo8 h MET 96 Ca 0.14 -0.21 -0.02 0.00 -2.06 0.00 0.00 59.70 57.56 1wo8 h MET 96 Cb 0.04 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 31.52 1wo8 h MET 96 CO -0.02 0.90 0.10 -0.09 1.06 0.00 0.00 176.91 178.86 1wo8 h ARG 97 N 1.05 0.41 -0.10 1.72 2.43 -0.53 -2.32 114.38 117.03 1wo8 h ARG 97 Ca 0.24 -0.08 -0.05 0.00 -0.81 0.00 0.00 59.98 59.28 1wo8 h ARG 97 Cb 0.25 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.73 1wo8 h ARG 97 CO -0.01 0.45 -0.17 0.28 -1.51 0.00 0.00 179.97 179.00 1wo8 h VAL 98 N 0.29 1.18 -0.62 0.20 2.07 -0.89 -0.67 116.25 117.81 1wo8 h VAL 98 Ca 0.09 -0.82 -0.05 0.00 0.82 0.00 0.00 66.70 66.74 1wo8 h VAL 98 Cb 0.19 1.30 -0.03 0.00 -1.52 0.00 0.00 31.29 31.24 1wo8 h VAL 98 CO -0.01 0.25 0.19 0.00 0.02 0.00 0.00 177.57 178.03 1wo8 h ASN 100 N 0.89 1.00 -0.72 0.00 2.35 -0.80 0.72 115.58 119.02 1wo8 h ASN 100 Ca 0.20 -0.35 0.02 0.00 -0.55 0.00 0.00 56.30 55.62 1wo8 h ASN 100 Cb 0.29 -0.27 -0.04 0.00 0.05 0.00 0.00 38.32 38.35 1wo8 h ASN 100 CO -0.01 1.14 0.47 0.58 -1.65 0.00 0.00 177.43 177.96 1wo8 h VAL 101 N 0.87 1.14 -0.61 2.81 2.07 -0.84 -2.76 116.25 118.93 1wo8 h VAL 101 Ca 0.13 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.33 1wo8 h VAL 101 Cb 0.72 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.62 1wo8 h VAL 101 CO 0.06 0.17 0.00 1.41 0.02 0.00 0.00 177.57 179.22 1wo8 n HIS 102 N -4.62 1.01 -2.08 1.57 8.25 -0.60 -4.95 115.22 113.80 1wo8 n HIS 102 Ca 0.07 -0.46 -0.18 0.00 -0.26 0.00 0.00 57.72 56.89 1wo8 n HIS 102 Cb 0.06 -0.08 -0.03 0.00 1.12 0.00 0.00 29.99 31.05 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 1.32 0.33 3.63 -1.41 0.00 -0.33 -4.98 105.19 103.75 1wo8 n GLY 103 Ca 0.22 -0.13 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.83 4.94 0.30 1.61 1.01 0.10 -5.02 120.40 120.51 1wo8 s VAL 104 Ca 0.00 1.20 -0.30 0.00 0.00 0.00 0.00 61.98 62.89 1wo8 s VAL 104 Cb 0.00 -3.99 -0.11 0.00 0.00 0.00 0.00 36.38 32.28 1wo8 s VAL 104 CO 0.00 -0.02 1.54 -2.16 0.00 0.00 0.00 175.10 174.46 1wo8 s PRO 105 N 2.60 4.15 -0.07 2.72 0.04 -1.26 -4.53 135.00 138.65 1wo8 s PRO 105 Ca 0.28 2.52 0.02 0.00 0.04 0.00 0.00 61.00 63.86 1wo8 s PRO 105 Cb -0.15 -3.03 0.01 0.00 0.04 0.00 0.00 34.50 31.37 1wo8 s PRO 105 CO 0.09 -0.56 -0.13 -1.17 0.04 0.00 0.00 177.00 175.26 1wo8 s LEU 106 N -0.80 1.67 -0.17 -3.56 2.96 -1.26 -1.25 118.68 116.27 1wo8 s LEU 106 Ca 0.60 -0.32 -0.04 0.00 -0.22 0.00 0.00 54.13 54.16 1wo8 s LEU 106 Cb -0.46 -0.87 -0.02 0.00 0.50 0.00 0.00 46.19 45.33 1wo8 s LEU 106 CO 0.50 0.04 -0.04 0.00 -1.32 0.00 0.00 176.35 175.53 1wo8 s ALA 107 N 0.65 2.97 -1.55 5.97 0.00 -0.18 -5.00 121.76 124.63 1wo8 s ALA 107 Ca -0.15 -0.88 0.18 0.00 0.00 0.00 0.00 51.96 51.11 1wo8 s ALA 107 Cb -0.16 -1.59 -0.03 0.00 0.00 0.00 0.00 23.12 21.35 1wo8 s ALA 107 CO 0.04 0.10 0.90 0.25 0.00 0.00 0.00 175.76 177.05 1wo8 n THR 108 N 3.75 0.00 -4.08 0.00 -2.24 -1.26 -0.49 114.28 109.97 1wo8 n THR 108 Ca -0.17 -0.29 -0.11 0.00 -2.27 0.00 0.00 64.05 61.21 1wo8 n THR 108 Cb 0.52 1.19 -0.07 0.00 -2.10 0.00 0.00 70.33 69.87 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 -2.13 0.07 0.17 3.42 2.20 -1.26 -2.59 114.94 114.82 1wo8 s ASN 109 Ca 0.14 -1.14 -0.16 0.00 -0.94 0.00 0.00 52.86 50.76 1wo8 s ASN 109 Cb 0.14 0.51 0.11 0.00 -2.00 0.00 0.00 41.25 40.01 1wo8 s ASN 109 CO 0.48 -1.04 1.71 0.25 -2.94 0.00 0.00 177.10 175.57 1wo8 h LEU 110 N 2.38 -0.06 -0.66 3.54 5.85 -1.95 -0.74 115.31 123.67 1wo8 h LEU 110 Ca -0.30 0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.49 1wo8 h LEU 110 Cb 1.25 0.12 -0.03 0.00 0.37 0.00 0.00 40.66 42.37 1wo8 h LEU 110 CO 0.42 0.00 0.38 0.58 -0.34 0.00 0.00 178.44 179.48 1wo8 h VAL 111 N 0.16 1.20 -0.33 1.05 2.07 -1.99 0.05 116.25 118.45 1wo8 h VAL 111 Ca 0.19 -0.47 -0.05 0.00 0.82 0.00 0.00 66.70 67.19 1wo8 h VAL 111 Cb 0.25 0.32 -0.02 0.00 -1.52 0.00 0.00 31.29 30.32 1wo8 h VAL 111 CO -0.28 0.21 -0.00 0.00 0.02 0.00 0.00 177.57 177.52 1wo8 h ALA 112 N 1.19 1.38 -0.50 1.67 0.00 -1.89 -1.86 119.26 119.25 1wo8 h ALA 112 Ca 0.23 -0.20 -0.11 0.00 0.00 0.00 0.00 54.91 54.83 1wo8 h ALA 112 Cb 0.01 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1wo8 h ALA 112 CO -0.04 0.43 -0.13 0.00 0.00 0.00 0.00 179.25 179.51 1wo8 h ALA 113 N 1.51 0.83 -0.64 0.00 0.00 -0.12 -1.01 119.26 119.82 1wo8 h ALA 113 Ca 0.11 -0.35 -0.04 0.00 0.00 0.00 0.00 54.91 54.63 1wo8 h ALA 113 Cb 0.33 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 1wo8 h ALA 113 CO 0.01 0.65 0.26 0.93 0.00 0.00 0.00 179.25 181.10 1wo8 h GLU 114 N 0.83 0.96 -0.60 0.00 4.39 -0.44 -0.12 114.58 119.60 1wo8 h GLU 114 Ca 0.13 -0.17 -0.09 0.00 0.34 0.00 0.00 59.36 59.56 1wo8 h GLU 114 Cb 0.67 -0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 29.14 1wo8 h GLU 114 CO 0.05 0.81 0.01 0.00 -1.16 0.00 0.00 179.01 178.71 1wo8 h ALA 115 N 1.11 0.88 -0.26 3.43 0.00 -1.11 -2.65 119.26 120.66 1wo8 h ALA 115 Ca 0.21 -0.30 -0.10 0.00 0.00 0.00 0.00 54.91 54.72 1wo8 h ALA 115 Cb 0.20 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1wo8 h ALA 115 CO -0.02 0.66 -0.23 1.25 0.00 0.00 0.00 179.25 180.92 1wo8 h LEU 116 N 0.95 0.65 -1.42 0.00 5.85 -0.84 -2.22 115.31 118.28 1wo8 h LEU 116 Ca 0.17 -0.46 -0.05 0.00 0.84 0.00 0.00 57.88 58.38 1wo8 h LEU 116 Cb 0.54 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.38 1wo8 h LEU 116 CO 0.03 0.97 -0.14 -0.29 -0.34 0.00 0.00 178.44 178.67 1wo8 h ILE 117 N 0.33 1.17 -0.42 4.05 6.09 -1.02 0.66 117.51 128.37 1wo8 h ILE 117 Ca 0.04 -0.77 -0.11 0.00 -1.37 0.00 0.00 64.86 62.65 1wo8 h ILE 117 Cb 0.78 1.23 -0.01 0.00 0.47 0.00 0.00 36.82 39.29 1wo8 h ILE 117 CO 0.06 0.24 -0.19 0.00 -3.07 0.00 0.00 178.15 175.19 1wo8 h ALA 118 N 1.66 0.58 -0.65 0.18 0.00 -1.35 0.14 119.26 119.82 1wo8 h ALA 118 Ca 0.04 -0.37 -0.04 0.00 0.00 0.00 0.00 54.91 54.54 1wo8 h ALA 118 Cb 0.37 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 1wo8 h ALA 118 CO 0.02 0.54 0.25 2.35 0.00 0.00 0.00 179.25 182.41 1wo8 h TRP 119 N 0.68 1.00 -0.38 0.00 7.01 -0.72 -1.39 115.95 122.15 1wo8 h TRP 119 Ca 0.09 -0.08 -0.05 0.00 2.11 0.00 0.00 58.89 60.96 1wo8 h TRP 119 Cb 0.75 -0.30 -0.01 0.00 -2.10 0.00 0.00 29.16 27.49 1wo8 h TRP 119 CO 0.06 0.79 0.04 0.82 -2.79 0.00 0.00 178.44 177.36 1wo8 h ILE 120 N 0.92 1.25 0.00 2.65 2.04 -0.66 -3.08 117.51 120.63 1wo8 h ILE 120 Ca 0.22 -0.91 0.01 0.00 1.00 0.00 0.00 64.86 65.17 1wo8 h ILE 120 Cb 0.22 1.10 -0.01 0.00 -0.74 0.00 0.00 36.82 37.39 1wo8 h ILE 120 CO -0.02 0.31 -0.06 -0.09 0.00 0.00 0.00 178.15 178.29 1wo8 h ARG 121 N 0.48 -0.10 0.00 2.37 2.43 -0.43 -1.15 114.38 117.98 1wo8 h ARG 121 Ca 0.11 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.29 1wo8 h ARG 121 Cb 0.41 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.98 1wo8 h ARG 121 CO 0.01 -0.07 0.10 -0.22 -1.51 0.00 0.00 179.97 178.28 1wo8 h LYS 122 N -0.11 0.00 -0.03 0.20 3.64 -1.23 -3.51 116.57 115.53 1wo8 h LYS 122 Ca 0.02 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1wo8 h LYS 122 Cb 0.14 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 1wo8 h LYS 122 CO -0.06 0.00 0.00 0.41 -2.27 0.00 0.00 179.45 177.53