#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 3.41 0.21 2.12 1.02 -1.26 -4.86 119.74 120.38 1wo8 s LYS 2 Ca 0.00 -0.29 0.05 0.00 0.02 0.00 0.00 55.97 55.75 1wo8 s LYS 2 Cb 0.00 -3.10 -0.03 0.00 -0.52 0.00 0.00 37.83 34.18 1wo8 s LYS 2 CO 0.00 0.70 0.24 0.00 -0.92 0.00 0.00 175.35 175.37 1wo8 s ALA 3 N -1.25 3.74 -0.34 5.17 0.00 -0.44 -4.52 121.76 124.12 1wo8 s ALA 3 Ca 0.24 -1.26 -0.12 0.00 0.00 0.00 0.00 51.96 50.82 1wo8 s ALA 3 Cb -0.12 -1.51 -0.01 0.00 0.00 0.00 0.00 23.12 21.48 1wo8 s ALA 3 CO 0.15 0.35 0.22 -1.17 0.00 0.00 0.00 175.76 175.31 1wo8 s LEU 4 N -3.62 4.50 0.01 0.00 2.96 0.33 -0.34 118.68 122.52 1wo8 s LEU 4 Ca 0.33 -0.55 -0.23 0.00 -0.22 0.00 0.00 54.13 53.46 1wo8 s LEU 4 Cb -0.09 -2.10 -0.05 0.00 0.50 0.00 0.00 46.19 44.45 1wo8 s LEU 4 CO 0.26 -0.26 0.70 0.00 -1.32 0.00 0.00 176.35 175.73 1wo8 s ALA 5 N 1.68 3.40 -0.13 5.97 0.00 -0.54 -1.14 121.76 131.00 1wo8 s ALA 5 Ca 0.05 0.18 0.00 0.00 0.00 0.00 0.00 51.96 52.19 1wo8 s ALA 5 Cb -0.18 -2.91 0.02 0.00 0.00 0.00 0.00 23.12 20.05 1wo8 s ALA 5 CO 0.09 0.06 -0.12 -0.51 0.00 0.00 0.00 175.76 175.28 1wo8 s LEU 6 N 0.09 1.49 -0.01 0.00 1.43 0.14 -0.77 118.68 121.05 1wo8 s LEU 6 Ca 0.36 -0.40 0.01 0.00 -1.03 0.00 0.00 54.13 53.07 1wo8 s LEU 6 Cb -0.19 -1.03 0.00 0.00 0.03 0.00 0.00 46.19 45.00 1wo8 s LEU 6 CO 0.20 -0.07 -0.04 -0.63 0.23 0.00 0.00 176.35 176.04 1wo8 s ILE 7 N 1.51 0.33 -0.05 -0.59 1.01 -0.16 -3.50 121.20 119.75 1wo8 s ILE 7 Ca 0.03 -0.15 -0.02 0.00 0.00 0.00 0.00 60.65 60.51 1wo8 s ILE 7 Cb -0.13 -0.30 0.03 0.00 0.01 0.00 0.00 42.46 42.07 1wo8 s ILE 7 CO -0.09 0.11 0.12 0.00 0.00 0.00 0.00 174.94 175.08 1wo8 s ALA 8 N 0.07 -0.19 0.65 9.38 0.00 -1.26 -0.76 121.76 129.65 1wo8 s ALA 8 Ca -0.00 0.57 -0.15 0.00 0.00 0.00 0.00 51.96 52.37 1wo8 s ALA 8 Cb -0.04 -0.39 -0.01 0.00 0.00 0.00 0.00 23.12 22.69 1wo8 s ALA 8 CO -0.00 -0.14 1.09 -1.01 0.00 0.00 0.00 175.76 175.70 1wo8 s HIS 9 N 1.05 2.75 0.24 0.00 3.76 -0.67 -4.72 115.29 117.70 1wo8 s HIS 9 Ca -0.08 1.53 -0.14 0.00 -0.15 0.00 0.00 55.06 56.22 1wo8 s HIS 9 Cb -0.11 -3.10 0.30 0.00 1.11 0.00 0.00 32.58 30.78 1wo8 s HIS 9 CO -0.05 -1.50 1.57 -0.44 -0.85 0.00 0.00 174.74 173.47 1wo8 h ASP 10 N 0.07 -1.12 0.24 1.40 3.32 -2.00 0.35 116.42 118.67 1wo8 h ASP 10 Ca -0.47 0.28 0.00 0.00 0.02 0.00 0.00 57.03 56.87 1wo8 h ASP 10 Cb 1.24 0.64 0.00 0.00 0.22 0.00 0.00 39.33 41.43 1wo8 h ASP 10 CO 0.55 -0.30 0.00 0.00 -1.72 0.00 0.00 179.24 177.77 1wo8 n ALA 11 N -3.44 1.27 0.12 3.45 0.00 -1.26 -2.00 120.51 118.65 1wo8 n ALA 11 Ca 0.11 0.07 0.05 0.00 0.00 0.00 0.00 53.44 53.67 1wo8 n ALA 11 Cb 0.42 -1.22 0.09 0.00 0.00 0.00 0.00 19.45 18.75 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 -1.87 1.67 -0.24 0.00 4.76 0.12 -4.66 118.16 117.95 1wo8 n LYS 12 Ca 0.01 -1.56 -0.08 0.00 -2.87 0.00 0.00 58.31 53.81 1wo8 n LYS 12 Cb 0.09 -1.22 0.04 0.00 -1.84 0.00 0.00 35.03 32.10 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 1.87 1.11 -0.69 1.97 1.57 -0.94 -0.52 116.57 120.94 1wo8 h LYS 13 Ca 0.00 -0.30 -0.03 0.00 -1.87 0.00 0.00 60.65 58.45 1wo8 h LYS 13 Cb 0.56 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.71 1wo8 h LYS 13 CO 0.00 1.02 0.30 -0.44 -0.57 0.00 0.00 179.45 179.76 1wo8 h ASP 14 N 1.03 0.91 -0.58 0.86 3.32 -1.83 -1.09 116.42 119.05 1wo8 h ASP 14 Ca 0.20 -0.12 -0.04 0.00 0.02 0.00 0.00 57.03 57.09 1wo8 h ASP 14 Cb 0.44 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.73 1wo8 h ASP 14 CO 0.01 0.80 0.19 -0.08 -1.72 0.00 0.00 179.24 178.44 1wo8 h GLU 15 N 0.99 0.89 -0.45 3.56 4.81 -1.75 -1.78 114.58 120.84 1wo8 h GLU 15 Ca 0.24 -0.19 -0.03 0.00 -0.13 0.00 0.00 59.36 59.26 1wo8 h GLU 15 Cb 0.15 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.38 1wo8 h GLU 15 CO -0.03 0.79 0.18 1.98 -0.73 0.00 0.00 179.01 181.21 1wo8 h MET 16 N 0.81 0.67 -0.50 1.92 4.05 -0.52 -1.46 114.93 119.90 1wo8 h MET 16 Ca 0.19 -0.12 -0.01 0.00 -0.28 0.00 0.00 59.70 59.48 1wo8 h MET 16 Cb 0.27 -0.11 -0.02 0.00 -0.80 0.00 0.00 31.60 30.94 1wo8 h MET 16 CO -0.01 0.61 0.28 0.28 0.23 0.00 0.00 176.91 178.31 1wo8 h VAL 17 N 0.59 1.16 -0.84 -5.77 2.07 -1.03 -0.41 116.25 112.02 1wo8 h VAL 17 Ca 0.15 -0.40 -0.03 0.00 0.82 0.00 0.00 66.70 67.24 1wo8 h VAL 17 Cb 0.19 0.53 -0.04 0.00 -1.52 0.00 0.00 31.29 30.44 1wo8 h VAL 17 CO -0.01 0.17 0.40 0.00 0.02 0.00 0.00 177.57 178.15 1wo8 h ALA 18 N 1.13 1.13 -0.36 1.67 0.00 -1.17 -1.09 119.26 120.57 1wo8 h ALA 18 Ca 0.18 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1wo8 h ALA 18 Cb 0.03 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 1wo8 h ALA 18 CO -0.03 0.66 0.19 0.35 0.00 0.00 0.00 179.25 180.42 1wo8 h PHE 19 N 1.20 0.50 -0.27 0.00 3.57 -0.79 -1.29 116.94 119.86 1wo8 h PHE 19 Ca 0.29 -0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.70 1wo8 h PHE 19 Cb 0.12 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 38.68 1wo8 h PHE 19 CO 0.01 0.40 -0.17 0.00 -2.23 0.00 0.00 178.31 176.33 1wo8 h LEU 21 N 0.43 0.70 -1.15 0.00 3.38 -0.95 0.04 115.31 117.77 1wo8 h LEU 21 Ca 0.07 -0.38 -0.05 0.00 0.09 0.00 0.00 57.88 57.62 1wo8 h LEU 21 Cb 0.55 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 1wo8 h LEU 21 CO 0.04 0.92 0.10 0.03 0.09 0.00 0.00 178.44 179.62 1wo8 h ARG 22 N 0.48 0.70 -0.38 1.13 3.08 -0.95 -3.06 114.38 115.38 1wo8 h ARG 22 Ca 0.08 -0.13 -0.14 0.00 0.07 0.00 0.00 59.98 59.86 1wo8 h ARG 22 Cb 0.63 -0.11 -0.08 0.00 0.08 0.00 0.00 29.97 30.49 1wo8 h ARG 22 CO 0.04 0.64 0.02 0.72 -1.07 0.00 0.00 179.97 180.33 1wo8 n HIS 23 N -4.29 1.24 -0.34 3.04 8.25 -0.71 -4.74 115.22 117.68 1wo8 n HIS 23 Ca 0.03 -1.32 0.12 0.00 -0.26 0.00 0.00 57.72 56.29 1wo8 n HIS 23 Cb 0.22 -0.47 0.33 0.00 1.12 0.00 0.00 29.99 31.19 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 1.39 0.76 -0.60 -0.41 3.64 -0.87 -1.30 116.57 119.18 1wo8 h LYS 24 Ca 0.17 -0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 59.45 1wo8 h LYS 24 Cb 1.70 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 33.32 1wo8 h LYS 24 CO 0.39 0.50 0.18 -0.44 -2.27 0.00 0.00 179.45 177.82 1wo8 h ASP 25 N 0.79 0.84 0.01 4.20 3.32 -1.86 0.74 116.42 124.46 1wo8 h ASP 25 Ca 0.53 -0.14 -0.11 0.00 0.02 0.00 0.00 57.03 57.33 1wo8 h ASP 25 Cb 0.80 -0.22 0.01 0.00 0.22 0.00 0.00 39.33 40.14 1wo8 h ASP 25 CO -0.31 0.80 -0.45 0.58 -1.72 0.00 0.00 179.24 178.14 1wo8 h VAL 26 N 0.88 1.51 -0.01 -1.35 2.07 -1.78 -3.28 116.25 114.27 1wo8 h VAL 26 Ca 0.20 -2.09 -0.00 0.00 0.82 0.00 0.00 66.70 65.63 1wo8 h VAL 26 Cb 0.27 2.78 -0.00 0.00 -1.52 0.00 0.00 31.29 32.81 1wo8 h VAL 26 CO -0.01 0.59 -0.01 -0.07 0.02 0.00 0.00 177.57 178.09 1wo8 h LEU 27 N -0.35 0.02 -0.69 2.57 3.38 -1.09 -1.61 115.31 117.54 1wo8 h LEU 27 Ca -0.06 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1wo8 h LEU 27 Cb 1.21 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 1wo8 h LEU 27 CO 0.09 0.03 0.00 0.00 0.09 0.00 0.00 178.44 178.65 1wo8 n ALA 28 N -2.53 1.51 0.95 1.53 0.00 0.24 -2.32 120.51 119.89 1wo8 n ALA 28 Ca -0.03 0.08 0.11 0.00 0.00 0.00 0.00 53.44 53.60 1wo8 n ALA 28 Cb 0.10 -1.33 0.03 0.00 0.00 0.00 0.00 19.45 18.26 1wo8 n ALA 28 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1wo8 n ARG 29 N -2.08 1.64 -4.49 0.00 5.12 -0.61 -4.96 116.66 111.28 1wo8 n ARG 29 Ca 0.02 -1.32 -0.28 0.00 -1.93 0.00 0.00 57.85 54.33 1wo8 n ARG 29 Cb 0.17 -1.44 -0.13 0.00 -1.16 0.00 0.00 32.46 29.89 1wo8 n ARG 29 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 1wo8 s TYR 30 N -2.20 2.16 -0.05 -1.55 1.51 -0.98 -5.09 117.35 111.15 1wo8 s TYR 30 Ca 0.21 -0.39 -0.30 0.00 -1.01 0.00 0.00 57.07 55.58 1wo8 s TYR 30 Cb 0.18 -1.20 -0.04 0.00 -0.11 0.00 0.00 41.96 40.78 1wo8 s TYR 30 CO 0.44 0.25 1.38 -1.25 -1.11 0.00 0.00 175.55 175.26 1wo8 s PRO 31 N -1.79 4.27 -0.10 -1.71 0.04 -1.26 -4.91 135.00 129.54 1wo8 s PRO 31 Ca 0.11 1.90 -0.09 0.00 0.04 0.00 0.00 61.00 62.96 1wo8 s PRO 31 Cb -0.10 -3.66 -0.04 0.00 0.04 0.00 0.00 34.50 30.73 1wo8 s PRO 31 CO 0.04 -0.62 0.21 -0.51 0.04 0.00 0.00 177.00 176.16 1wo8 s LEU 32 N 2.81 4.39 -0.07 -3.56 1.43 -1.26 -0.51 118.68 121.91 1wo8 s LEU 32 Ca 0.62 0.57 0.02 0.00 -1.03 0.00 0.00 54.13 54.32 1wo8 s LEU 32 Cb -0.29 -2.20 0.01 0.00 0.03 0.00 0.00 46.19 43.74 1wo8 s LEU 32 CO 0.24 0.36 -0.12 -0.22 0.23 0.00 0.00 176.35 176.85 1wo8 s LEU 33 N -0.90 1.61 0.05 1.79 2.96 -0.29 -0.91 118.68 122.99 1wo8 s LEU 33 Ca 0.17 -0.30 -0.10 0.00 -0.22 0.00 0.00 54.13 53.68 1wo8 s LEU 33 Cb -0.13 -0.82 0.01 0.00 0.50 0.00 0.00 46.19 45.75 1wo8 s LEU 33 CO 0.06 0.02 0.22 0.00 -1.32 0.00 0.00 176.35 175.32 1wo8 s ALA 34 N 0.75 -0.41 0.66 5.97 0.00 -0.48 0.24 121.76 128.49 1wo8 s ALA 34 Ca -0.13 -0.27 -0.16 0.00 0.00 0.00 0.00 51.96 51.40 1wo8 s ALA 34 Cb -0.16 0.31 -0.00 0.00 0.00 0.00 0.00 23.12 23.28 1wo8 s ALA 34 CO 0.03 -0.39 1.15 0.95 0.00 0.00 0.00 175.76 177.50 1wo8 s THR 35 N -2.72 2.92 0.00 0.00 -4.23 -1.23 -1.77 115.64 108.61 1wo8 s THR 35 Ca -0.04 0.47 0.00 0.00 -1.18 0.00 0.00 61.69 60.94 1wo8 s THR 35 Cb -0.00 -3.03 0.00 0.00 1.34 0.00 0.00 72.50 70.81 1wo8 s THR 35 CO -0.05 -0.23 0.21 0.61 -0.54 0.00 0.00 174.62 174.63 1wo8 n GLY 36 N -0.08 -1.09 0.32 3.99 0.00 0.26 -1.44 105.19 107.15 1wo8 n GLY 36 Ca 0.12 0.22 -0.08 0.00 0.00 0.00 0.00 46.02 46.28 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 1.26 -0.66 2.61 2.02 -1.90 -2.71 112.91 113.54 1wo8 h THR 37 Ca 0.00 -1.05 0.05 0.00 0.77 0.00 0.00 66.41 66.18 1wo8 h THR 37 Cb 0.00 0.63 -0.05 0.00 -1.74 0.00 0.00 68.15 66.99 1wo8 h THR 37 CO 0.00 0.39 0.37 0.74 0.37 0.00 0.00 175.52 177.40 1wo8 h THR 38 N 1.04 0.99 -0.70 3.16 2.02 -1.80 -1.36 112.91 116.27 1wo8 h THR 38 Ca 0.20 -0.24 0.01 0.00 0.77 0.00 0.00 66.41 67.16 1wo8 h THR 38 Cb 0.45 0.23 -0.04 0.00 -1.74 0.00 0.00 68.15 67.05 1wo8 h THR 38 CO 0.01 0.13 0.45 1.23 0.37 0.00 0.00 175.52 177.72 1wo8 h GLY 39 N 0.70 0.99 0.91 2.16 0.00 -0.99 -1.60 103.07 105.24 1wo8 h GLY 39 Ca 0.29 -0.35 -0.02 0.00 0.00 0.00 0.00 47.33 47.25 1wo8 h GLY 39 CO -0.16 0.33 0.11 0.00 0.00 0.00 0.00 176.54 176.82 1wo8 h ALA 40 N 1.27 0.36 -0.86 3.60 0.00 -1.10 -1.66 119.26 120.86 1wo8 h ALA 40 Ca 0.26 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 55.09 1wo8 h ALA 40 Cb -0.07 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.56 1wo8 h ALA 40 CO -0.07 -0.05 0.55 0.00 0.00 0.00 0.00 179.25 179.68 1wo8 h ARG 41 N 0.29 1.04 -0.16 0.00 2.47 -1.00 0.08 114.38 117.10 1wo8 h ARG 41 Ca 0.09 -0.06 -0.02 0.00 -1.26 0.00 0.00 59.98 58.73 1wo8 h ARG 41 Cb 0.18 -0.23 -0.01 0.00 -1.65 0.00 0.00 29.97 28.26 1wo8 h ARG 41 CO -0.01 0.69 0.01 0.82 0.56 0.00 0.00 179.97 182.04 1wo8 h ILE 42 N 1.07 1.24 -0.43 2.04 2.04 -1.10 -2.65 117.51 119.72 1wo8 h ILE 42 Ca 0.35 -0.78 -0.00 0.00 1.00 0.00 0.00 64.86 65.43 1wo8 h ILE 42 Cb 0.03 1.44 -0.02 0.00 -0.74 0.00 0.00 36.82 37.53 1wo8 h ILE 42 CO -0.12 0.23 0.26 -0.61 0.00 0.00 0.00 178.15 177.90 1wo8 h GLN 43 N 0.04 0.58 -0.85 2.37 -0.00 -0.97 -0.50 115.11 115.77 1wo8 h GLN 43 Ca 0.05 -0.05 0.06 0.00 -0.00 0.00 0.00 58.65 58.70 1wo8 h GLN 43 Cb 0.34 -0.12 -0.05 0.00 0.00 0.00 0.00 27.48 27.64 1wo8 h GLN 43 CO 0.01 0.43 0.56 0.93 0.00 0.00 0.00 178.83 180.76 1wo8 h GLU 44 N 0.56 0.94 0.02 1.69 5.08 -0.95 0.13 114.58 122.06 1wo8 h GLU 44 Ca 0.15 -0.06 -0.31 0.00 -1.00 0.00 0.00 59.36 58.15 1wo8 h GLU 44 Cb 0.00 -0.21 -0.05 0.00 0.50 0.00 0.00 28.75 28.99 1wo8 h GLU 44 CO -0.03 0.62 -1.80 0.00 -1.00 0.00 0.00 179.01 176.81 1wo8 n ALA 45 N -2.41 1.39 0.09 3.43 0.00 -1.00 -4.53 120.51 117.49 1wo8 n ALA 45 Ca 0.13 -0.77 0.07 0.00 0.00 0.00 0.00 53.44 52.87 1wo8 n ALA 45 Cb 0.19 -0.78 -0.11 0.00 0.00 0.00 0.00 19.45 18.75 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 -3.10 0.00 -0.91 0.00 -2.24 -0.22 -4.99 114.28 102.82 1wo8 n THR 46 Ca -0.20 -0.31 0.00 0.00 -2.27 0.00 0.00 64.05 61.26 1wo8 n THR 46 Cb 1.06 0.29 0.00 0.00 -2.10 0.00 0.00 70.33 69.57 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 1.62 0.99 3.75 3.38 0.00 0.45 -5.01 105.19 110.37 1wo8 n GLY 47 Ca -0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.60 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 4.57 0.24 0.99 1.43 -1.26 -5.02 118.68 119.64 1wo8 s LEU 48 Ca 0.00 1.74 -0.30 0.00 -1.03 0.00 0.00 54.13 54.54 1wo8 s LEU 48 Cb 0.00 -3.44 -0.09 0.00 0.03 0.00 0.00 46.19 42.69 1wo8 s LEU 48 CO 0.00 0.11 1.12 0.00 0.23 0.00 0.00 176.35 177.81 1wo8 s ALA 49 N -0.76 3.41 -0.03 4.21 0.00 -1.26 -4.14 121.76 123.19 1wo8 s ALA 49 Ca 0.40 0.90 0.02 0.00 0.00 0.00 0.00 51.96 53.27 1wo8 s ALA 49 Cb -0.24 -3.35 0.01 0.00 0.00 0.00 0.00 23.12 19.54 1wo8 s ALA 49 CO 0.28 -0.21 -0.07 0.08 0.00 0.00 0.00 175.76 175.84 1wo8 s VAL 50 N -0.79 0.64 0.11 0.00 1.01 -1.26 -4.58 120.40 115.54 1wo8 s VAL 50 Ca 0.47 -0.27 -0.30 0.00 0.00 0.00 0.00 61.98 61.87 1wo8 s VAL 50 Cb -0.32 -0.59 -0.06 0.00 0.00 0.00 0.00 36.38 35.41 1wo8 s VAL 50 CO 0.39 0.21 1.14 -0.70 0.00 0.00 0.00 175.10 176.15 1wo8 s GLU 51 N 0.29 4.51 -0.20 2.72 2.12 -0.08 -4.93 118.70 123.14 1wo8 s GLU 51 Ca -0.04 1.73 -0.08 0.00 0.36 0.00 0.00 54.97 56.94 1wo8 s GLU 51 Cb -0.09 -3.32 -0.04 0.00 0.26 0.00 0.00 34.13 30.94 1wo8 s GLU 51 CO 0.00 -0.09 0.08 1.03 -0.54 0.00 0.00 175.26 175.74 1wo8 s ARG 52 N 0.37 3.97 0.22 4.30 1.81 -1.26 -1.38 118.95 126.98 1wo8 s ARG 52 Ca 0.54 -0.34 0.02 0.00 -1.72 0.00 0.00 55.73 54.23 1wo8 s ARG 52 Cb -0.29 -3.28 0.02 0.00 -0.45 0.00 0.00 34.95 30.95 1wo8 s ARG 52 CO 0.32 0.20 0.21 1.33 -0.68 0.00 0.00 175.30 176.68 1wo8 n VAL 53 N 3.78 0.00 -0.85 3.52 0.24 -0.73 -4.95 118.33 119.33 1wo8 n VAL 53 Ca -0.16 -0.81 -0.29 0.00 -2.04 0.00 0.00 64.34 61.03 1wo8 n VAL 53 Cb 0.52 -0.47 0.19 0.00 -1.47 0.00 0.00 33.84 32.61 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 1.72 0.86 1.34 1.43 -1.26 -0.57 118.68 122.19 1wo8 s LEU 54 Ca 0.16 1.58 -0.11 0.00 -1.03 0.00 0.00 54.13 54.73 1wo8 s LEU 54 Cb -0.01 -3.77 0.10 0.00 0.03 0.00 0.00 46.19 42.55 1wo8 s LEU 54 CO 0.10 -3.40 1.09 -0.94 0.23 0.00 0.00 176.35 173.43 1wo8 s SER 55 N -2.94 3.85 0.12 2.29 1.04 -1.26 -2.30 113.70 114.51 1wo8 s SER 55 Ca 0.66 1.50 -0.25 0.00 0.48 0.00 0.00 55.95 58.35 1wo8 s SER 55 Cb -0.22 -2.20 -0.05 0.00 0.10 0.00 0.00 66.02 63.66 1wo8 s SER 55 CO 0.60 -2.40 1.65 1.23 0.98 0.00 0.00 173.24 175.30 1wo8 h GLY 56 N -1.38 -0.30 0.79 7.32 0.00 -1.93 0.76 103.07 108.32 1wo8 h GLY 56 Ca -0.48 0.26 0.15 0.00 0.00 0.00 0.00 47.33 47.27 1wo8 h GLY 56 CO 0.55 -0.19 0.45 -2.55 0.00 0.00 0.00 176.54 174.80 1wo8 h PRO 57 N -0.34 0.21 -0.01 4.80 0.11 -1.97 -1.22 132.00 133.59 1wo8 h PRO 57 Ca 0.07 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.16 1wo8 h PRO 57 Cb 0.43 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.49 1wo8 h PRO 57 CO -0.21 0.14 -0.03 1.28 -0.21 0.00 0.00 178.00 178.96 1wo8 n LEU 58 N -4.43 1.14 0.00 2.35 4.77 -0.83 -4.91 117.00 115.09 1wo8 n LEU 58 Ca 0.12 -0.36 0.00 0.00 -0.03 0.00 0.00 56.01 55.74 1wo8 n LEU 58 Cb 0.57 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.64 1wo8 n LEU 58 CO 0.35 0.19 0.00 0.61 -1.33 0.00 0.00 177.39 177.21 1wo8 n GLY 59 N 1.17 1.12 0.38 -0.72 0.00 -0.46 -4.88 105.19 101.80 1wo8 n GLY 59 Ca 0.19 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.36 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 1.16 1.85 -0.02 0.00 -0.95 -0.29 103.07 104.83 1wo8 h GLY 60 Ca 0.00 -0.26 -0.04 0.00 0.00 0.00 0.00 47.33 47.03 1wo8 h GLY 60 CO 0.00 0.01 -0.11 -0.55 0.00 0.00 0.00 176.54 175.89 1wo8 h ASP 61 N 0.57 0.18 0.43 0.19 3.32 -1.80 -1.73 116.42 117.57 1wo8 h ASP 61 Ca 0.49 -0.03 -0.20 0.00 0.02 0.00 0.00 57.03 57.31 1wo8 h ASP 61 Cb 0.97 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.47 1wo8 h ASP 61 CO -0.23 0.32 -0.84 -0.07 -1.72 0.00 0.00 179.24 176.70 1wo8 h LEU 62 N 0.18 0.38 -0.64 1.55 3.38 -1.37 0.74 115.31 119.53 1wo8 h LEU 62 Ca 0.04 -0.29 -0.06 0.00 0.09 0.00 0.00 57.88 57.66 1wo8 h LEU 62 Cb 0.32 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 1wo8 h LEU 62 CO 0.02 1.06 0.16 1.56 0.09 0.00 0.00 178.44 181.33 1wo8 h GLN 63 N 0.18 1.02 -0.19 1.13 4.20 -1.10 0.29 115.11 120.64 1wo8 h GLN 63 Ca -0.05 -0.24 -0.19 0.00 0.06 0.00 0.00 58.65 58.23 1wo8 h GLN 63 Cb 1.45 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 29.09 1wo8 h GLN 63 CO 0.14 0.92 -0.64 0.82 -0.67 0.00 0.00 178.83 179.40 1wo8 h ILE 64 N 0.94 1.30 -0.90 2.54 2.04 -1.28 -2.90 117.51 119.26 1wo8 h ILE 64 Ca 0.20 -1.88 0.02 0.00 1.00 0.00 0.00 64.86 64.20 1wo8 h ILE 64 Cb 0.35 1.84 -0.05 0.00 -0.74 0.00 0.00 36.82 38.22 1wo8 h ILE 64 CO 0.00 0.59 0.59 1.23 0.00 0.00 0.00 178.15 180.56 1wo8 h GLY 65 N 0.86 1.28 0.28 5.37 0.00 -0.47 -1.55 103.07 108.83 1wo8 h GLY 65 Ca -0.01 -0.46 0.07 0.00 0.00 0.00 0.00 47.33 46.92 1wo8 h GLY 65 CO 0.13 0.43 -0.13 0.00 0.00 0.00 0.00 176.54 176.96 1wo8 h ALA 66 N 1.35 0.11 -0.38 3.60 0.00 -0.31 -1.44 119.26 122.19 1wo8 h ALA 66 Ca 0.34 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.35 1wo8 h ALA 66 Cb -0.08 0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1wo8 h ALA 66 CO -0.09 -0.53 0.17 0.00 0.00 0.00 0.00 179.25 178.81 1wo8 h ARG 67 N -0.09 0.55 -0.68 0.00 3.08 -1.23 -1.20 114.38 114.81 1wo8 h ARG 67 Ca 0.15 -0.09 0.12 0.00 0.07 0.00 0.00 59.98 60.24 1wo8 h ARG 67 Cb 0.32 -0.10 -0.09 0.00 0.08 0.00 0.00 29.97 30.18 1wo8 h ARG 67 CO -0.35 0.50 0.24 0.28 -1.07 0.00 0.00 179.97 179.56 1wo8 h VAL 68 N 0.47 0.68 0.00 2.04 2.07 -1.00 0.26 116.25 120.76 1wo8 h VAL 68 Ca 0.13 -0.13 -0.06 0.00 0.82 0.00 0.00 66.70 67.46 1wo8 h VAL 68 Cb 0.14 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 30.16 1wo8 h VAL 68 CO -0.01 0.07 -0.28 0.00 0.02 0.00 0.00 177.57 177.37 1wo8 h ALA 69 N 1.50 1.37 -0.03 1.67 0.00 -0.96 -2.56 119.26 120.25 1wo8 h ALA 69 Ca 0.36 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1wo8 h ALA 69 Cb 0.53 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1wo8 h ALA 69 CO -0.38 0.35 0.00 0.39 0.00 0.00 0.00 179.25 179.61 1wo8 n GLU 70 N -3.96 1.27 -1.51 0.00 1.02 0.78 -4.90 120.64 113.34 1wo8 n GLU 70 Ca -0.02 -0.40 -0.06 0.00 -0.02 0.00 0.00 57.16 56.67 1wo8 n GLU 70 Cb 0.35 -1.43 -0.02 0.00 -0.02 0.00 0.00 31.44 30.33 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 1.01 0.56 1.14 0.62 0.00 -0.40 -4.94 105.19 103.18 1wo8 n GLY 71 Ca 0.19 -0.75 0.08 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.36 3.30 -4.48 1.61 5.02 -0.74 -4.90 118.16 115.61 1wo8 n LYS 72 Ca -0.06 -2.65 -0.28 0.00 -2.02 0.00 0.00 58.31 53.31 1wo8 n LYS 72 Cb 0.32 -1.71 -0.17 0.00 -0.02 0.00 0.00 35.03 33.45 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 -1.88 1.41 0.02 -0.18 1.01 -1.26 -1.33 120.40 118.18 1wo8 s VAL 73 Ca 0.41 -0.60 -0.18 0.00 0.00 0.00 0.00 61.98 61.62 1wo8 s VAL 73 Cb 0.28 -1.29 -0.29 0.00 0.00 0.00 0.00 36.38 35.08 1wo8 s VAL 73 CO 0.18 0.42 1.05 0.25 0.00 0.00 0.00 175.10 177.00 1wo8 h LEU 74 N 7.34 0.72 -7.18 3.92 5.85 -0.95 -3.46 115.31 121.55 1wo8 h LEU 74 Ca -0.30 -0.84 0.06 0.00 0.84 0.00 0.00 57.88 57.64 1wo8 h LEU 74 Cb 1.18 -0.23 -0.12 0.00 0.37 0.00 0.00 40.66 41.86 1wo8 h LEU 74 CO 0.48 1.49 0.35 0.00 -0.34 0.00 0.00 178.44 180.42 1wo8 s ALA 75 N -2.91 -1.65 -0.08 1.25 0.00 -1.25 -4.36 121.76 112.77 1wo8 s ALA 75 Ca -0.11 0.56 0.01 0.00 0.00 0.00 0.00 51.96 52.42 1wo8 s ALA 75 Cb 0.04 0.67 0.02 0.00 0.00 0.00 0.00 23.12 23.85 1wo8 s ALA 75 CO 0.89 -0.80 -0.09 0.08 0.00 0.00 0.00 175.76 175.84 1wo8 s VAL 76 N -3.47 0.96 -0.39 0.00 1.01 -0.28 -1.46 120.40 116.77 1wo8 s VAL 76 Ca 0.05 -0.32 -0.06 0.00 0.00 0.00 0.00 61.98 61.65 1wo8 s VAL 76 Cb -0.02 -0.93 0.08 0.00 0.00 0.00 0.00 36.38 35.51 1wo8 s VAL 76 CO -0.08 0.33 0.19 -0.69 0.00 0.00 0.00 175.10 174.86 1wo8 s VAL 77 N 1.15 3.80 -0.57 2.92 1.01 0.05 -0.75 120.40 128.01 1wo8 s VAL 77 Ca -0.06 -1.50 -0.00 0.00 0.00 0.00 0.00 61.98 60.42 1wo8 s VAL 77 Cb -0.14 -3.34 0.15 0.00 0.00 0.00 0.00 36.38 33.04 1wo8 s VAL 77 CO -0.02 -0.45 0.35 0.12 0.00 0.00 0.00 175.10 175.10 1wo8 s PHE 78 N 1.34 3.35 -0.77 5.22 2.19 0.57 -0.99 117.98 128.88 1wo8 s PHE 78 Ca 0.02 -2.89 -0.26 0.00 0.33 0.00 0.00 56.93 54.14 1wo8 s PHE 78 Cb -0.22 -3.05 0.01 0.00 -1.31 0.00 0.00 43.02 38.45 1wo8 s PHE 78 CO 0.00 -0.81 1.52 -0.51 1.83 0.00 0.00 175.22 177.25 1wo8 s LEU 79 N -0.07 3.25 0.36 6.12 1.43 0.06 -4.11 118.68 125.72 1wo8 s LEU 79 Ca 0.16 -0.44 -0.10 0.00 -1.03 0.00 0.00 54.13 52.72 1wo8 s LEU 79 Cb -0.22 -2.55 -0.07 0.00 0.03 0.00 0.00 46.19 43.38 1wo8 s LEU 79 CO -0.02 -2.00 0.72 -1.10 0.23 0.00 0.00 176.35 174.17 1wo8 s GLN 80 N 6.06 3.79 -0.48 1.70 -0.21 -1.12 -1.67 119.66 127.72 1wo8 s GLN 80 Ca 0.48 0.41 -0.12 0.00 0.02 0.00 0.00 55.36 56.15 1wo8 s GLN 80 Cb -0.08 -2.45 0.10 0.00 1.00 0.00 0.00 33.01 31.58 1wo8 s GLN 80 CO 0.11 0.06 0.38 0.34 -2.12 0.00 0.00 175.29 174.05 1wo8 s ASP 81 N -2.98 5.92 0.00 5.90 2.15 -1.26 -4.91 116.67 121.49 1wo8 s ASP 81 Ca 0.50 -1.64 0.23 0.00 0.43 0.00 0.00 52.55 52.07 1wo8 s ASP 81 Cb -0.10 -2.10 1.30 0.00 -0.30 0.00 0.00 42.92 41.72 1wo8 s ASP 81 CO 0.28 -0.69 1.75 -0.81 -0.17 0.00 0.00 175.17 175.53 1wo8 n PRO 82 N 5.07 0.58 -0.19 4.34 -0.04 -1.26 -3.17 135.00 140.33 1wo8 n PRO 82 Ca -0.11 0.03 0.08 0.00 -0.04 0.00 0.00 63.50 63.45 1wo8 n PRO 82 Cb 0.42 -1.50 0.18 0.00 -0.04 0.00 0.00 33.50 32.56 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 -1.10 3.08 -3.94 1.53 4.77 -1.26 -4.95 117.00 115.13 1wo8 n LEU 83 Ca 0.15 -1.77 -0.18 0.00 -0.03 0.00 0.00 56.01 54.18 1wo8 n LEU 83 Cb 0.11 -0.25 -0.15 0.00 -2.33 0.00 0.00 43.42 40.80 1wo8 n LEU 83 CO 0.14 0.73 -0.41 -0.89 -1.33 0.00 0.00 177.39 175.64 1wo8 s THR 84 N -1.07 0.50 0.11 -5.08 2.01 -1.19 -5.14 115.64 105.77 1wo8 s THR 84 Ca 0.29 -0.20 -0.12 0.00 0.31 0.00 0.00 61.69 61.97 1wo8 s THR 84 Cb 0.16 -0.46 -0.06 0.00 0.01 0.00 0.00 72.50 72.14 1wo8 s THR 84 CO 0.22 0.17 0.48 0.00 -0.69 0.00 0.00 174.62 174.80 1wo8 s ALA 85 N 0.28 3.65 0.03 7.40 0.00 -1.26 -4.91 121.76 126.95 1wo8 s ALA 85 Ca -0.03 -0.24 -0.04 0.00 0.00 0.00 0.00 51.96 51.64 1wo8 s ALA 85 Cb -0.07 -2.41 -0.01 0.00 0.00 0.00 0.00 23.12 20.63 1wo8 s ALA 85 CO -0.00 0.50 0.06 -1.59 0.00 0.00 0.00 175.76 174.73 1wo8 s LYS 86 N -1.91 0.48 0.55 0.00 -2.85 -1.26 -5.04 119.74 109.70 1wo8 s LYS 86 Ca 0.35 -0.66 0.29 0.00 -1.00 0.00 0.00 55.97 54.94 1wo8 s LYS 86 Cb -0.15 0.19 1.58 0.00 -2.06 0.00 0.00 37.83 37.39 1wo8 s LYS 86 CO 0.18 -0.11 2.13 -1.00 0.10 0.00 0.00 175.35 176.66 1wo8 h PRO 87 N 4.06 0.00 -0.88 1.78 0.13 -2.01 -2.44 132.00 132.64 1wo8 h PRO 87 Ca -0.32 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.60 1wo8 h PRO 87 Cb 1.19 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.20 1wo8 h PRO 87 CO 0.46 0.08 0.27 -2.39 -0.23 0.00 0.00 178.00 176.19 1wo8 n HIS 88 N -3.68 1.83 -0.37 1.56 1.44 -1.26 -4.42 115.22 110.32 1wo8 n HIS 88 Ca -0.02 -1.04 -0.02 0.00 -2.01 0.00 0.00 57.72 54.62 1wo8 n HIS 88 Cb 0.19 -0.59 0.11 0.00 0.12 0.00 0.00 29.99 29.82 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 1.53 1.32 -0.83 -1.40 4.57 -1.87 -1.55 114.58 116.35 1wo8 h GLU 89 Ca 0.26 -0.09 -0.00 0.00 -1.18 0.00 0.00 59.36 58.34 1wo8 h GLU 89 Cb 1.97 -0.29 -0.04 0.00 -0.16 0.00 0.00 28.75 30.23 1wo8 h GLU 89 CO 0.59 0.88 0.50 -1.35 -1.18 0.00 0.00 179.01 178.45 1wo8 h PRO 90 N 1.35 1.13 -0.54 0.92 0.11 -1.86 -0.67 132.00 132.44 1wo8 h PRO 90 Ca 0.36 -0.10 0.02 0.00 0.11 0.00 0.00 66.00 66.39 1wo8 h PRO 90 Cb -0.13 -0.24 -0.03 0.00 0.11 0.00 0.00 31.00 30.71 1wo8 h PRO 90 CO -0.08 0.79 0.34 -0.44 -0.21 0.00 0.00 178.00 178.40 1wo8 h ASP 91 N 1.15 0.57 -0.19 -2.05 5.19 -1.66 0.10 116.42 119.54 1wo8 h ASP 91 Ca 0.30 -0.00 0.01 0.00 -0.62 0.00 0.00 57.03 56.71 1wo8 h ASP 91 Cb -0.05 -0.13 -0.01 0.00 0.18 0.00 0.00 39.33 39.32 1wo8 h ASP 91 CO -0.06 0.40 0.10 0.58 -3.12 0.00 0.00 179.24 177.14 1wo8 h VAL 92 N 0.68 1.00 -0.49 -1.35 2.07 -0.51 -0.30 116.25 117.36 1wo8 h VAL 92 Ca 0.21 -0.07 -0.10 0.00 0.82 0.00 0.00 66.70 67.56 1wo8 h VAL 92 Cb -0.03 0.78 -0.02 0.00 -1.52 0.00 0.00 31.29 30.51 1wo8 h VAL 92 CO -0.07 0.04 -0.09 1.56 0.02 0.00 0.00 177.57 179.03 1wo8 h GLN 93 N 0.20 0.89 -0.52 1.57 1.08 -0.81 -2.15 115.11 115.38 1wo8 h GLN 93 Ca 0.07 -0.30 -0.05 0.00 -1.45 0.00 0.00 58.65 56.93 1wo8 h GLN 93 Cb 0.01 -0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 27.35 1wo8 h GLN 93 CO -0.05 0.94 0.15 0.00 -0.95 0.00 0.00 178.83 178.91 1wo8 h ALA 94 N 1.09 0.68 -0.50 3.87 0.00 -0.56 -0.66 119.26 123.18 1wo8 h ALA 94 Ca 0.13 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1wo8 h ALA 94 Cb 0.60 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1wo8 h ALA 94 CO 0.04 0.35 0.26 1.25 0.00 0.00 0.00 179.25 181.15 1wo8 h LEU 95 N 0.71 0.64 -0.87 0.00 5.85 -0.88 -1.11 115.31 119.65 1wo8 h LEU 95 Ca 0.16 -0.11 -0.07 0.00 0.84 0.00 0.00 57.88 58.71 1wo8 h LEU 95 Cb 0.30 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.15 1wo8 h LEU 95 CO -0.00 0.56 0.05 0.24 -0.34 0.00 0.00 178.44 178.95 1wo8 h MET 96 N 0.67 0.89 -0.22 1.25 2.86 -1.18 -1.85 114.93 117.35 1wo8 h MET 96 Ca 0.18 -0.23 -0.02 0.00 -2.06 0.00 0.00 59.70 57.57 1wo8 h MET 96 Cb 0.08 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.62 1wo8 h MET 96 CO -0.03 0.86 0.08 -0.09 1.06 0.00 0.00 176.91 178.79 1wo8 h ARG 97 N 0.84 0.34 -0.14 1.72 2.43 -0.75 -2.43 114.38 116.38 1wo8 h ARG 97 Ca 0.17 -0.07 -0.04 0.00 -0.81 0.00 0.00 59.98 59.23 1wo8 h ARG 97 Cb 0.43 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.92 1wo8 h ARG 97 CO 0.02 0.41 -0.08 0.28 -1.51 0.00 0.00 179.97 179.09 1wo8 h VAL 98 N 0.20 1.15 -0.58 0.20 2.07 -1.03 -0.92 116.25 117.33 1wo8 h VAL 98 Ca 0.07 -0.63 -0.05 0.00 0.82 0.00 0.00 66.70 66.92 1wo8 h VAL 98 Cb 0.21 1.13 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 1wo8 h VAL 98 CO -0.00 0.20 0.18 0.00 0.02 0.00 0.00 177.57 177.97 1wo8 h ASN 100 N 0.82 0.98 -0.74 0.00 2.35 -0.86 0.58 115.58 118.71 1wo8 h ASN 100 Ca 0.19 -0.29 0.05 0.00 -0.55 0.00 0.00 56.30 55.70 1wo8 h ASN 100 Cb 0.28 -0.26 -0.06 0.00 0.05 0.00 0.00 38.32 38.34 1wo8 h ASN 100 CO -0.01 1.03 0.44 0.58 -1.65 0.00 0.00 177.43 177.83 1wo8 h VAL 101 N 0.91 1.02 -0.66 2.81 2.07 -0.91 -2.63 116.25 118.85 1wo8 h VAL 101 Ca 0.17 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 67.41 1wo8 h VAL 101 Cb 0.50 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.39 1wo8 h VAL 101 CO 0.02 0.15 0.00 1.41 0.02 0.00 0.00 177.57 179.17 1wo8 n HIS 102 N -4.70 1.36 -2.52 1.57 8.25 -0.70 -4.96 115.22 113.52 1wo8 n HIS 102 Ca 0.10 -0.56 -0.20 0.00 -0.26 0.00 0.00 57.72 56.80 1wo8 n HIS 102 Cb 0.16 -0.18 -0.00 0.00 1.12 0.00 0.00 29.99 31.08 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 1.27 -0.50 3.63 -1.41 0.00 -0.30 -4.96 105.19 102.90 1wo8 n GLY 103 Ca 0.25 0.02 -0.40 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.99 5.02 0.27 1.61 1.01 0.04 -5.02 120.40 120.34 1wo8 s VAL 104 Ca 0.06 1.06 -0.31 0.00 0.00 0.00 0.00 61.98 62.79 1wo8 s VAL 104 Cb -0.03 -3.90 -0.12 0.00 0.00 0.00 0.00 36.38 32.34 1wo8 s VAL 104 CO 0.07 0.06 1.65 -2.16 0.00 0.00 0.00 175.10 174.71 1wo8 s PRO 105 N 2.37 4.11 -0.10 2.72 0.04 -1.26 -4.54 135.00 138.34 1wo8 s PRO 105 Ca 0.25 2.61 0.02 0.00 0.04 0.00 0.00 61.00 63.91 1wo8 s PRO 105 Cb -0.16 -3.03 0.01 0.00 0.04 0.00 0.00 34.50 31.36 1wo8 s PRO 105 CO 0.09 -0.69 -0.15 -1.17 0.04 0.00 0.00 177.00 175.12 1wo8 s LEU 106 N 0.05 1.70 -0.18 -3.56 2.96 -1.26 -1.12 118.68 117.27 1wo8 s LEU 106 Ca 0.67 -0.40 -0.05 0.00 -0.22 0.00 0.00 54.13 54.14 1wo8 s LEU 106 Cb -0.49 -1.03 -0.03 0.00 0.50 0.00 0.00 46.19 45.14 1wo8 s LEU 106 CO 0.43 0.02 -0.01 0.00 -1.32 0.00 0.00 176.35 175.48 1wo8 s ALA 107 N 0.89 3.08 -1.64 5.97 0.00 0.07 -5.00 121.76 125.12 1wo8 s ALA 107 Ca -0.09 -0.87 0.18 0.00 0.00 0.00 0.00 51.96 51.17 1wo8 s ALA 107 Cb -0.15 -1.70 -0.00 0.00 0.00 0.00 0.00 23.12 21.27 1wo8 s ALA 107 CO 0.00 0.07 0.92 0.25 0.00 0.00 0.00 175.76 177.00 1wo8 n THR 108 N 3.81 0.00 -4.05 0.00 -2.24 -1.26 -0.32 114.28 110.22 1wo8 n THR 108 Ca -0.17 -0.32 -0.10 0.00 -2.27 0.00 0.00 64.05 61.19 1wo8 n THR 108 Cb 0.52 1.21 -0.07 0.00 -2.10 0.00 0.00 70.33 69.90 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 -2.03 -0.01 0.19 3.42 2.20 -1.26 -2.80 114.94 114.65 1wo8 s ASN 109 Ca 0.15 -1.06 -0.12 0.00 -0.94 0.00 0.00 52.86 50.89 1wo8 s ASN 109 Cb 0.14 0.51 0.21 0.00 -2.00 0.00 0.00 41.25 40.12 1wo8 s ASN 109 CO 0.44 -1.03 1.71 0.25 -2.94 0.00 0.00 177.10 175.53 1wo8 h LEU 110 N 2.38 -0.02 -0.74 3.54 5.85 -1.95 -0.77 115.31 123.60 1wo8 h LEU 110 Ca -0.29 0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.49 1wo8 h LEU 110 Cb 1.25 0.14 -0.03 0.00 0.37 0.00 0.00 40.66 42.38 1wo8 h LEU 110 CO 0.42 0.02 0.34 0.58 -0.34 0.00 0.00 178.44 179.46 1wo8 h VAL 111 N 0.23 1.24 -0.28 1.05 2.07 -1.99 0.00 116.25 118.57 1wo8 h VAL 111 Ca 0.26 -0.70 -0.07 0.00 0.82 0.00 0.00 66.70 67.01 1wo8 h VAL 111 Cb 0.36 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 30.44 1wo8 h VAL 111 CO -0.35 0.29 -0.12 0.00 0.02 0.00 0.00 177.57 177.42 1wo8 h ALA 112 N 1.17 1.28 -0.59 1.67 0.00 -1.87 -2.05 119.26 118.87 1wo8 h ALA 112 Ca 0.25 -0.26 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 1wo8 h ALA 112 Cb 0.14 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1wo8 h ALA 112 CO -0.03 0.48 0.02 0.00 0.00 0.00 0.00 179.25 179.72 1wo8 h ALA 113 N 1.45 0.92 -0.80 0.00 0.00 -0.21 -1.03 119.26 119.58 1wo8 h ALA 113 Ca 0.08 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.65 1wo8 h ALA 113 Cb 0.47 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 1wo8 h ALA 113 CO 0.03 0.65 0.33 0.93 0.00 0.00 0.00 179.25 181.18 1wo8 h GLU 114 N 0.93 1.19 -0.53 0.00 4.39 -0.46 -0.75 114.58 119.35 1wo8 h GLU 114 Ca 0.17 -0.21 -0.05 0.00 0.34 0.00 0.00 59.36 59.61 1wo8 h GLU 114 Cb 0.51 -0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 28.94 1wo8 h GLU 114 CO 0.02 0.96 0.15 0.00 -1.16 0.00 0.00 179.01 178.98 1wo8 h ALA 115 N 1.18 0.70 -0.37 3.43 0.00 -0.93 -2.86 119.26 120.40 1wo8 h ALA 115 Ca 0.27 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 1wo8 h ALA 115 Cb 0.21 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1wo8 h ALA 115 CO -0.02 0.38 -0.08 -0.07 0.00 0.00 0.00 179.25 179.46 1wo8 h LEU 116 N 0.74 0.72 -1.32 0.00 3.38 -0.83 -2.45 115.31 115.55 1wo8 h LEU 116 Ca 0.17 -0.36 -0.05 0.00 0.09 0.00 0.00 57.88 57.73 1wo8 h LEU 116 Cb 0.31 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1wo8 h LEU 116 CO -0.00 0.91 -0.06 -0.29 0.09 0.00 0.00 178.44 179.09 1wo8 h ILE 117 N 0.52 1.18 -0.30 1.22 6.09 -1.13 0.45 117.51 125.54 1wo8 h ILE 117 Ca 0.10 -0.77 -0.14 0.00 -1.37 0.00 0.00 64.86 62.68 1wo8 h ILE 117 Cb 0.59 1.07 -0.01 0.00 0.47 0.00 0.00 36.82 38.94 1wo8 h ILE 117 CO 0.03 0.25 -0.38 0.00 -3.07 0.00 0.00 178.15 174.99 1wo8 h ALA 118 N 1.58 0.77 -0.53 0.18 0.00 -1.44 -0.83 119.26 118.99 1wo8 h ALA 118 Ca 0.08 -0.44 -0.02 0.00 0.00 0.00 0.00 54.91 54.53 1wo8 h ALA 118 Cb 0.34 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1wo8 h ALA 118 CO 0.02 0.65 0.24 2.35 0.00 0.00 0.00 179.25 182.51 1wo8 h TRP 119 N 0.59 0.77 -0.62 0.00 7.01 -0.83 -1.63 115.95 121.23 1wo8 h TRP 119 Ca 0.05 -0.04 -0.05 0.00 2.11 0.00 0.00 58.89 60.96 1wo8 h TRP 119 Cb 0.91 -0.24 -0.03 0.00 -2.10 0.00 0.00 29.16 27.70 1wo8 h TRP 119 CO 0.04 0.61 0.20 0.82 -2.79 0.00 0.00 178.44 177.33 1wo8 h ILE 120 N 0.70 1.23 0.91 2.65 2.04 -0.77 -1.99 117.51 122.29 1wo8 h ILE 120 Ca 0.18 -0.79 -0.04 0.00 1.00 0.00 0.00 64.86 65.21 1wo8 h ILE 120 Cb 0.14 0.54 0.01 0.00 -0.74 0.00 0.00 36.82 36.77 1wo8 h ILE 120 CO -0.02 0.31 -0.44 -0.09 0.00 0.00 0.00 178.15 177.91 1wo8 h ARG 121 N 0.91 -1.18 -0.92 2.37 2.43 -0.78 -2.83 114.38 114.38 1wo8 h ARG 121 Ca 0.21 0.08 0.22 0.00 -0.81 0.00 0.00 59.98 59.68 1wo8 h ARG 121 Cb 0.25 0.27 -0.12 0.00 -0.42 0.00 0.00 29.97 29.94 1wo8 h ARG 121 CO -0.01 -0.79 0.44 0.87 -1.51 0.00 0.00 179.97 178.97 1wo8 h LYS 122 N -1.26 0.44 0.00 0.20 1.57 -1.32 -3.51 116.57 112.69 1wo8 h LYS 122 Ca -0.13 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.63 1wo8 h LYS 122 Cb 0.94 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.15 1wo8 h LYS 122 CO 0.21 0.29 0.00 0.41 -0.57 0.00 0.00 179.45 179.78