#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ix8 h LEU 3 N 0.00 -0.62 -0.60 0.00 5.85 -2.00 -1.21 115.31 116.73 3ix8 h LEU 3 Ca 0.00 -0.04 0.03 0.00 0.84 0.00 0.00 57.88 58.72 3ix8 h LEU 3 Cb 0.00 0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.15 3ix8 h LEU 3 CO 0.00 -0.33 0.36 0.58 -0.34 0.00 0.00 178.44 178.70 3ix8 h VAL 4 N -0.89 1.05 -0.85 1.05 2.07 -2.02 -0.37 116.25 116.29 3ix8 h VAL 4 Ca -0.07 -0.24 0.14 0.00 0.82 0.00 0.00 66.70 67.34 3ix8 h VAL 4 Cb 0.62 0.29 -0.09 0.00 -1.52 0.00 0.00 31.29 30.59 3ix8 h VAL 4 CO 0.12 0.13 0.45 0.44 0.02 0.00 0.00 177.57 178.73 3ix8 h ASP 5 N 0.70 0.57 -0.04 0.57 5.19 -1.98 -0.74 116.42 120.68 3ix8 h ASP 5 Ca 0.25 0.08 -0.00 0.00 -0.62 0.00 0.00 57.03 56.74 3ix8 h ASP 5 Cb 0.05 -0.01 -0.00 0.00 0.18 0.00 0.00 39.33 39.55 3ix8 h ASP 5 CO -0.12 0.26 0.02 1.23 -3.12 0.00 0.00 179.24 177.52 3ix8 h GLY 6 N 0.67 0.05 0.60 2.75 0.00 0.15 -0.48 103.07 106.80 3ix8 h GLY 6 Ca 0.45 -0.02 0.06 0.00 0.00 0.00 0.00 47.33 47.82 3ix8 h GLY 6 CO -0.34 0.02 0.16 -2.75 0.00 0.00 0.00 176.54 173.63 3ix8 h PHE 7 N 0.02 0.28 -0.79 5.60 3.57 -0.56 0.09 116.94 125.15 3ix8 h PHE 7 Ca 0.01 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.51 3ix8 h PHE 7 Cb 0.03 -0.06 -0.04 0.00 2.79 0.00 0.00 35.95 38.67 3ix8 h PHE 7 CO -0.07 0.10 0.37 -0.07 -2.23 0.00 0.00 178.31 176.42 3ix8 h LEU 8 N 0.33 1.03 -0.12 0.59 3.38 -0.96 -0.23 115.31 119.32 3ix8 h LEU 8 Ca 0.21 -0.12 0.02 0.00 0.09 0.00 0.00 57.88 58.08 3ix8 h LEU 8 Cb 0.20 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 3ix8 h LEU 8 CO -0.21 0.87 -0.01 -0.33 0.09 0.00 0.00 178.44 178.85 3ix8 h GLU 9 N 1.12 0.03 -0.70 1.13 5.08 -0.39 -0.95 114.58 119.90 3ix8 h GLU 9 Ca 0.27 -0.00 0.11 0.00 -1.00 0.00 0.00 59.36 58.74 3ix8 h GLU 9 Cb 0.12 -0.01 -0.08 0.00 0.50 0.00 0.00 28.75 29.28 3ix8 h GLU 9 CO -0.03 0.02 0.30 -0.07 -1.00 0.00 0.00 179.01 178.22 3ix8 h LEU 10 N 0.03 0.32 0.00 1.33 3.38 -0.43 -1.60 115.31 118.34 3ix8 h LEU 10 Ca 0.05 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.11 3ix8 h LEU 10 Cb 0.07 0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.86 3ix8 h LEU 10 CO -0.10 0.17 0.00 -0.62 0.09 0.00 0.00 178.44 177.98 3ix8 n GLU 11 N -4.95 0.53 -0.10 1.13 -0.58 -0.15 -2.27 120.64 114.24 3ix8 n GLU 11 Ca 0.12 0.02 0.05 0.00 -0.42 0.00 0.00 57.16 56.93 3ix8 n GLU 11 Cb 0.33 -1.50 0.11 0.00 -0.57 0.00 0.00 31.44 29.80 3ix8 n GLU 11 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3ix8 n ARG 12 N -1.21 1.98 -2.49 3.49 1.74 -0.41 -5.04 116.66 114.72 3ix8 n ARG 12 Ca 0.15 -1.68 -0.27 0.00 -0.77 0.00 0.00 57.85 55.29 3ix8 n ARG 12 Cb 0.19 -1.23 0.02 0.00 -1.02 0.00 0.00 32.46 30.42 3ix8 n ARG 12 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3ix8 s SER 13 N -0.95 5.79 -0.06 0.55 1.04 -0.80 -5.06 113.70 114.23 3ix8 s SER 13 Ca 0.18 0.75 0.00 0.00 0.48 0.00 0.00 55.95 57.36 3ix8 s SER 13 Cb 0.10 -1.85 0.02 0.00 0.10 0.00 0.00 66.02 64.40 3ix8 s SER 13 CO 0.14 -0.91 -0.04 -0.55 0.98 0.00 0.00 173.24 172.86 3ix8 s SER 14 N -4.24 1.30 0.00 7.02 0.15 -1.26 -5.00 113.70 111.67 3ix8 s SER 14 Ca 0.52 -0.14 0.00 0.00 0.70 0.00 0.00 55.95 57.02 3ix8 s SER 14 Cb -0.10 -0.51 0.00 0.00 -1.71 0.00 0.00 66.02 63.70 3ix8 s SER 14 CO 0.45 -0.10 0.00 0.61 1.20 0.00 0.00 173.24 175.40 3ix8 n GLY 15 N 4.44 -1.87 0.27 9.45 0.00 -1.26 -4.39 105.19 111.84 3ix8 n GLY 15 Ca -0.18 -1.52 -0.13 0.00 0.00 0.00 0.00 46.02 44.19 3ix8 n GLY 15 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3ix8 h LYS 16 N 0.00 0.95 0.07 1.61 3.64 -1.98 -2.97 116.57 117.89 3ix8 h LYS 16 Ca 0.00 -0.46 0.01 0.00 -1.27 0.00 0.00 60.65 58.93 3ix8 h LYS 16 Cb 0.00 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.80 3ix8 h LYS 16 CO 0.00 1.12 -0.14 1.25 -2.27 0.00 0.00 179.45 179.42 3ix8 h LEU 17 N 0.78 -0.37 -0.55 5.20 5.85 -2.00 -0.50 115.31 123.72 3ix8 h LEU 17 Ca 0.08 0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.84 3ix8 h LEU 17 Cb 0.90 0.15 -0.03 0.00 0.37 0.00 0.00 40.66 42.05 3ix8 h LEU 17 CO 0.08 -0.20 0.33 -0.08 -0.34 0.00 0.00 178.44 178.23 3ix8 h GLU 18 N -0.26 0.75 -0.30 1.25 4.81 -1.76 -1.58 114.58 117.48 3ix8 h GLU 18 Ca 0.02 -0.07 0.02 0.00 -0.13 0.00 0.00 59.36 59.20 3ix8 h GLU 18 Cb 0.28 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.49 3ix8 h GLU 18 CO -0.08 0.55 0.15 2.35 -0.73 0.00 0.00 179.01 181.25 3ix8 h TRP 19 N 0.74 0.28 -0.70 0.92 7.01 -1.33 -2.06 115.95 120.82 3ix8 h TRP 19 Ca 0.20 0.01 -0.03 0.00 2.11 0.00 0.00 58.89 61.18 3ix8 h TRP 19 Cb -0.00 -0.08 -0.03 0.00 -2.10 0.00 0.00 29.16 26.94 3ix8 h TRP 19 CO -0.02 0.16 0.32 0.66 -2.79 0.00 0.00 178.44 176.76 3ix8 h SER 20 N 0.32 0.92 -0.38 2.65 4.64 -0.93 -1.63 113.55 119.13 3ix8 h SER 20 Ca 0.12 -0.11 -0.01 0.00 -0.47 0.00 0.00 61.79 61.32 3ix8 h SER 20 Cb 0.04 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 61.87 3ix8 h SER 20 CO -0.08 0.79 0.18 0.00 -0.87 0.00 0.00 176.83 176.85 3ix8 h ALA 21 N 1.35 0.49 -0.03 5.18 0.00 -0.96 -1.11 119.26 124.18 3ix8 h ALA 21 Ca 0.24 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 3ix8 h ALA 21 Cb 0.13 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 3ix8 h ALA 21 CO -0.03 0.05 0.02 0.82 0.00 0.00 0.00 179.25 180.11 3ix8 h ILE 22 N 0.47 1.07 -0.52 0.00 2.04 -1.03 -1.86 117.51 117.69 3ix8 h ILE 22 Ca 0.13 -0.20 -0.02 0.00 1.00 0.00 0.00 64.86 65.77 3ix8 h ILE 22 Cb 0.11 1.14 -0.02 0.00 -0.74 0.00 0.00 36.82 37.31 3ix8 h ILE 22 CO -0.02 0.06 0.25 0.25 0.00 0.00 0.00 178.15 178.69 3ix8 h LEU 23 N -0.03 0.68 -0.98 1.44 5.85 -1.24 -0.90 115.31 120.13 3ix8 h LEU 23 Ca 0.01 -0.13 0.01 0.00 0.84 0.00 0.00 57.88 58.62 3ix8 h LEU 23 Cb 0.08 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 40.88 3ix8 h LEU 23 CO -0.00 0.62 0.65 1.56 -0.34 0.00 0.00 178.44 180.92 3ix8 h GLN 24 N 0.70 1.28 -0.22 1.25 4.20 -1.13 -1.64 115.11 119.54 3ix8 h GLN 24 Ca 0.18 -0.08 -0.14 0.00 0.06 0.00 0.00 58.65 58.68 3ix8 h GLN 24 Cb 0.11 -0.29 -0.01 0.00 0.30 0.00 0.00 27.48 27.59 3ix8 h GLN 24 CO -0.02 0.85 -0.43 -0.22 -0.67 0.00 0.00 178.83 178.34 3ix8 h LYS 25 N 1.32 0.54 -0.38 1.46 3.64 -0.87 0.94 116.57 123.22 3ix8 h LYS 25 Ca 0.36 -0.29 -0.00 0.00 -1.27 0.00 0.00 60.65 59.46 3ix8 h LYS 25 Cb -0.14 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.67 3ix8 h LYS 25 CO -0.08 0.87 0.23 0.52 -2.27 0.00 0.00 179.45 178.72 3ix8 h MET 26 N 0.44 0.51 -0.23 1.90 2.86 -0.63 0.08 114.93 119.87 3ix8 h MET 26 Ca 0.03 -0.04 -0.03 0.00 -2.06 0.00 0.00 59.70 57.60 3ix8 h MET 26 Cb 0.93 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.47 3ix8 h MET 26 CO 0.08 0.37 0.03 0.00 1.06 0.00 0.00 176.91 178.45 3ix8 h ALA 27 N 1.11 0.30 -0.35 6.32 0.00 -1.03 -2.09 119.26 123.53 3ix8 h ALA 27 Ca 0.14 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 54.88 3ix8 h ALA 27 Cb -0.01 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 3ix8 h ALA 27 CO -0.03 -0.01 0.18 0.77 0.00 0.00 0.00 179.25 180.16 3ix8 h SER 28 N 0.18 0.27 -0.75 0.00 0.02 -0.73 -1.48 113.55 111.07 3ix8 h SER 28 Ca 0.07 0.01 0.01 0.00 -0.84 0.00 0.00 61.79 61.04 3ix8 h SER 28 Cb 0.33 -0.04 -0.04 0.00 0.14 0.00 0.00 62.40 62.79 3ix8 h SER 28 CO 0.01 0.20 0.49 0.44 -1.14 0.00 0.00 176.83 176.83 3ix8 h ASP 29 N 0.37 0.85 0.95 3.07 3.32 -0.92 -1.82 116.42 122.24 3ix8 h ASP 29 Ca 0.14 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.16 3ix8 h ASP 29 Cb 0.04 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.38 3ix8 h ASP 29 CO -0.09 0.61 -0.06 0.25 -1.72 0.00 0.00 179.24 178.23 3ix8 h LEU 30 N 1.00 0.00 0.00 1.55 5.85 -0.89 -3.46 115.31 119.35 3ix8 h LEU 30 Ca 0.28 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.00 3ix8 h LEU 30 Cb -0.09 0.00 0.00 0.00 0.37 0.00 0.00 40.66 40.94 3ix8 h LEU 30 CO -0.06 0.06 0.00 0.61 -0.34 0.00 0.00 178.44 178.70 3ix8 n GLY 31 N 0.01 0.95 3.89 3.75 0.00 -0.68 -5.01 105.19 108.09 3ix8 n GLY 31 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 3ix8 n GLY 31 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ix8 s PHE 32 N -2.00 3.30 -0.01 1.61 0.08 -0.60 -4.75 117.98 115.62 3ix8 s PHE 32 Ca 0.00 0.92 -0.01 0.00 0.12 0.00 0.00 56.93 57.97 3ix8 s PHE 32 Cb 0.00 -2.97 -0.00 0.00 -0.57 0.00 0.00 43.02 39.48 3ix8 s PHE 32 CO 0.00 -1.08 -0.01 0.45 -0.10 0.00 0.00 175.22 174.48 3ix8 n SER 33 N -2.88 0.09 -4.55 1.36 2.88 0.05 -3.97 113.62 106.61 3ix8 n SER 33 Ca 0.06 0.01 -0.30 0.00 -1.33 0.00 0.00 58.87 57.32 3ix8 n SER 33 Cb 0.57 -0.43 -0.10 0.00 -0.75 0.00 0.00 64.21 63.50 3ix8 n SER 33 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 3ix8 s LYS 34 N -1.09 2.03 0.05 -1.46 1.02 -1.25 -4.83 119.74 114.20 3ix8 s LYS 34 Ca -0.01 -1.07 0.01 0.00 0.02 0.00 0.00 55.97 54.92 3ix8 s LYS 34 Cb 0.00 -2.25 -0.03 0.00 -0.52 0.00 0.00 37.83 35.04 3ix8 s LYS 34 CO 0.02 0.50 -0.06 0.96 -0.92 0.00 0.00 175.35 175.85 3ix8 s ILE 35 N -1.19 0.43 -0.05 2.17 -4.36 -1.26 -1.00 121.20 115.94 3ix8 s ILE 35 Ca 0.20 -1.25 0.00 0.00 -0.26 0.00 0.00 60.65 59.34 3ix8 s ILE 35 Cb -0.11 -0.79 0.03 0.00 1.25 0.00 0.00 42.46 42.84 3ix8 s ILE 35 CO 0.12 -0.55 -0.01 -0.22 0.24 0.00 0.00 174.94 174.52 3ix8 s LEU 36 N -1.92 1.03 -0.24 0.37 0.20 -0.70 -1.83 118.68 115.59 3ix8 s LEU 36 Ca -0.06 -0.07 -0.04 0.00 0.69 0.00 0.00 54.13 54.64 3ix8 s LEU 36 Cb -0.06 -0.36 -0.00 0.00 -0.43 0.00 0.00 46.19 45.34 3ix8 s LEU 36 CO -0.02 -0.11 -0.01 0.12 -0.29 0.00 0.00 176.35 176.04 3ix8 s PHE 37 N 1.28 3.02 0.00 5.38 5.36 0.40 -0.57 117.98 132.85 3ix8 s PHE 37 Ca -0.06 -0.97 0.07 0.00 -0.96 0.00 0.00 56.93 55.01 3ix8 s PHE 37 Cb -0.13 -2.14 -0.02 0.00 -0.34 0.00 0.00 43.02 40.39 3ix8 s PHE 37 CO -0.02 -0.56 -0.20 0.20 -1.46 0.00 0.00 175.22 173.18 3ix8 s GLY 38 N 1.48 1.03 -0.08 13.12 0.00 -0.33 -0.40 107.32 122.14 3ix8 s GLY 38 Ca 0.05 -0.93 -0.06 0.00 0.00 0.00 0.00 44.72 43.77 3ix8 s GLY 38 CO -0.02 -0.81 0.20 -2.27 0.00 0.00 0.00 173.10 170.20 3ix8 s LEU 39 N -0.71 1.09 0.08 0.66 2.96 0.29 -1.31 118.68 121.73 3ix8 s LEU 39 Ca 0.08 0.40 0.09 0.00 -0.22 0.00 0.00 54.13 54.47 3ix8 s LEU 39 Cb -0.08 0.64 -0.03 0.00 0.50 0.00 0.00 46.19 47.22 3ix8 s LEU 39 CO 0.00 -0.09 -0.23 -0.76 -1.32 0.00 0.00 176.35 173.95 3ix8 s LEU 40 N 0.38 2.24 0.83 -0.68 1.43 0.88 -1.00 118.68 122.75 3ix8 s LEU 40 Ca -0.02 -0.64 -0.12 0.00 -1.03 0.00 0.00 54.13 52.32 3ix8 s LEU 40 Cb -0.04 -1.05 0.09 0.00 0.03 0.00 0.00 46.19 45.22 3ix8 s LEU 40 CO -0.02 0.15 1.14 -2.16 0.23 0.00 0.00 176.35 175.69 3ix8 s PRO 41 N -1.62 1.83 0.15 1.29 0.04 -1.26 -1.07 135.00 134.36 3ix8 s PRO 41 Ca 0.09 0.29 -0.33 0.00 0.04 0.00 0.00 61.00 61.09 3ix8 s PRO 41 Cb -0.10 -1.92 -0.16 0.00 0.04 0.00 0.00 34.50 32.36 3ix8 s PRO 41 CO 0.04 -1.72 1.11 1.17 0.04 0.00 0.00 177.00 177.64 3ix8 n LYS 42 N -3.44 0.94 -0.84 4.56 4.81 -1.24 -2.21 118.16 120.75 3ix8 n LYS 42 Ca 0.07 0.33 0.00 0.00 -0.87 0.00 0.00 58.31 57.85 3ix8 n LYS 42 Cb 0.59 -1.80 0.00 0.00 0.02 0.00 0.00 35.03 33.84 3ix8 n LYS 42 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 3ix8 n ASP 43 N 1.98 -0.02 -4.81 3.14 8.00 -1.26 -4.99 116.55 118.59 3ix8 n ASP 43 Ca 0.16 0.00 -0.38 0.00 0.71 0.00 0.00 54.79 55.28 3ix8 n ASP 43 Cb 0.22 -0.80 -0.06 0.00 -0.02 0.00 0.00 41.12 40.47 3ix8 n ASP 43 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 3ix8 s SER 44 N -2.68 6.93 -0.17 -2.24 0.15 -0.94 -4.95 113.70 109.80 3ix8 s SER 44 Ca 0.00 1.11 0.15 0.00 0.70 0.00 0.00 55.95 57.90 3ix8 s SER 44 Cb 0.00 -2.32 0.36 0.00 -1.71 0.00 0.00 66.02 62.36 3ix8 s SER 44 CO 0.00 0.25 1.20 0.00 1.20 0.00 0.00 173.24 175.88 3ix8 n GLN 45 N 2.04 1.47 -2.10 5.44 6.02 -1.26 -4.86 117.38 124.14 3ix8 n GLN 45 Ca -0.11 -2.97 -0.41 0.00 -0.01 0.00 0.00 57.00 53.50 3ix8 n GLN 45 Cb 0.51 -1.57 -0.00 0.00 1.02 0.00 0.00 30.24 30.20 3ix8 n GLN 45 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 3ix8 n ASP 46 N -1.26 6.39 -0.30 1.08 2.03 -1.26 -4.78 116.55 118.45 3ix8 n ASP 46 Ca 0.18 -3.07 0.08 0.00 0.52 0.00 0.00 54.79 52.50 3ix8 n ASP 46 Cb 0.68 -1.45 0.30 0.00 -0.72 0.00 0.00 41.12 39.93 3ix8 n ASP 46 CO 0.00 0.00 0.00 1.88 -1.92 0.00 0.00 177.20 177.16 3ix8 h TYR 47 N 5.27 0.97 0.00 -0.67 0.05 -1.99 0.59 116.97 121.20 3ix8 h TYR 47 Ca 0.56 0.03 0.00 0.00 0.05 0.00 0.00 58.73 59.36 3ix8 h TYR 47 Cb 0.48 -0.31 0.00 0.00 1.01 0.00 0.00 36.73 37.91 3ix8 h TYR 47 CO 1.44 0.41 0.00 0.93 -1.05 0.00 0.00 178.16 179.89 3ix8 h GLU 48 N 0.87 0.00 0.00 4.88 5.08 -1.95 -2.03 114.58 121.43 3ix8 h GLU 48 Ca 0.44 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.80 3ix8 h GLU 48 Cb 0.50 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 3ix8 h GLU 48 CO -0.21 0.00 -0.43 0.09 -1.00 0.00 0.00 179.01 177.47 3ix8 n ASN 49 N -2.32 1.80 -4.74 1.42 4.13 0.18 -5.07 115.26 110.66 3ix8 n ASN 49 Ca -0.00 -3.75 -0.33 0.00 1.68 0.00 0.00 54.58 52.19 3ix8 n ASN 49 Cb 0.12 -0.51 0.09 0.00 -1.54 0.00 0.00 39.78 37.94 3ix8 n ASN 49 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3ix8 s ALA 50 N -3.12 2.17 -0.32 5.41 0.00 -0.77 -4.97 121.76 120.16 3ix8 s ALA 50 Ca 0.37 0.58 -0.29 0.00 0.00 0.00 0.00 51.96 52.61 3ix8 s ALA 50 Cb 0.36 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 20.11 3ix8 s ALA 50 CO -0.06 -1.78 1.30 0.12 0.00 0.00 0.00 175.76 175.34 3ix8 s PHE 51 N -2.43 2.67 -0.08 0.00 5.36 -0.17 -4.91 117.98 118.42 3ix8 s PHE 51 Ca 0.67 0.85 0.05 0.00 -0.96 0.00 0.00 56.93 57.54 3ix8 s PHE 51 Cb -0.22 -3.97 -0.01 0.00 -0.34 0.00 0.00 43.02 38.48 3ix8 s PHE 51 CO 0.48 -1.69 -0.24 0.42 -1.46 0.00 0.00 175.22 172.74 3ix8 s ILE 52 N 4.48 2.14 0.01 3.12 -1.09 -1.26 -0.55 121.20 128.04 3ix8 s ILE 52 Ca 0.56 -1.01 0.05 0.00 -2.23 0.00 0.00 60.65 58.02 3ix8 s ILE 52 Cb -0.16 -1.80 -0.02 0.00 -1.58 0.00 0.00 42.46 38.90 3ix8 s ILE 52 CO 0.24 0.56 -0.15 -0.69 -1.23 0.00 0.00 174.94 173.67 3ix8 s VAL 53 N 0.13 1.20 -4.46 2.92 1.01 0.46 -5.00 120.40 116.67 3ix8 s VAL 53 Ca -0.12 -0.79 0.00 0.00 0.00 0.00 0.00 61.98 61.07 3ix8 s VAL 53 Cb -0.16 -1.03 0.00 0.00 0.00 0.00 0.00 36.38 35.19 3ix8 s VAL 53 CO 0.07 0.23 0.00 0.61 0.00 0.00 0.00 175.10 176.00 3ix8 n GLY 54 N 2.40 0.92 0.61 4.51 0.00 -1.26 -0.45 105.19 111.91 3ix8 n GLY 54 Ca -0.16 -1.94 0.06 0.00 0.00 0.00 0.00 46.02 43.98 3ix8 n GLY 54 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3ix8 n ASN 55 N 1.57 1.63 -4.67 1.61 0.23 -0.76 -5.01 115.26 109.86 3ix8 n ASN 55 Ca 0.00 -3.27 -0.41 0.00 -0.53 0.00 0.00 54.58 50.37 3ix8 n ASN 55 Cb 0.00 -0.45 0.01 0.00 -2.08 0.00 0.00 39.78 37.27 3ix8 n ASN 55 CO 0.00 0.00 0.00 -1.22 -0.93 0.00 0.00 177.26 175.11 3ix8 n TYR 56 N -0.86 1.80 -1.67 -2.53 4.02 -1.23 -4.78 117.16 111.91 3ix8 n TYR 56 Ca 0.15 0.51 -0.46 0.00 -0.01 0.00 0.00 57.90 58.10 3ix8 n TYR 56 Cb 0.75 -2.32 -0.04 0.00 -0.02 0.00 0.00 39.34 37.71 3ix8 n TYR 56 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 176.86 173.55 3ix8 n PRO 57 N -0.02 2.08 -0.36 -0.72 -0.02 -1.26 -4.84 135.00 129.86 3ix8 n PRO 57 Ca 0.08 0.75 0.05 0.00 -2.02 0.00 0.00 63.50 62.35 3ix8 n PRO 57 Cb 0.40 -2.47 0.21 0.00 -0.02 0.00 0.00 33.50 31.61 3ix8 n PRO 57 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ix8 h ALA 58 N 5.26 1.44 -0.05 3.55 0.00 -1.99 -1.51 119.26 125.95 3ix8 h ALA 58 Ca -0.45 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.40 3ix8 h ALA 58 Cb 1.26 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 3ix8 h ALA 58 CO 0.84 0.31 -0.28 0.00 0.00 0.00 0.00 179.25 180.12 3ix8 h ALA 59 N 1.50 1.44 -0.08 0.00 0.00 -1.99 -0.83 119.26 119.30 3ix8 h ALA 59 Ca 0.46 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 3ix8 h ALA 59 Cb 0.34 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 3ix8 h ALA 59 CO -0.22 0.40 -0.04 2.35 0.00 0.00 0.00 179.25 181.74 3ix8 h TRP 60 N 0.09 0.20 -0.96 0.00 -0.00 -1.67 -1.32 115.95 112.28 3ix8 h TRP 60 Ca 0.01 -0.05 0.06 0.00 -0.00 0.00 0.00 58.89 58.92 3ix8 h TRP 60 Cb 0.54 -0.05 -0.07 0.00 -0.00 0.00 0.00 29.16 29.59 3ix8 h TRP 60 CO 0.00 0.54 0.61 0.00 -0.00 0.00 0.00 178.44 179.59 3ix8 h ARG 61 N -0.20 1.09 0.00 2.65 3.08 -1.00 0.07 114.38 120.07 3ix8 h ARG 61 Ca 0.02 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 60.00 3ix8 h ARG 61 Cb 0.48 -0.25 0.00 0.00 0.08 0.00 0.00 29.97 30.29 3ix8 h ARG 61 CO 0.01 0.72 -0.00 0.93 -1.07 0.00 0.00 179.97 180.56 3ix8 h GLU 62 N 1.12 -0.01 -0.31 0.04 5.08 -1.15 -2.49 114.58 116.87 3ix8 h GLU 62 Ca 0.41 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.84 3ix8 h GLU 62 Cb 0.16 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.35 3ix8 h GLU 62 CO -0.17 0.16 -0.11 1.25 -1.00 0.00 0.00 179.01 179.14 3ix8 h HIS 63 N -0.17 -0.24 -0.53 4.33 2.76 -0.74 -1.36 115.15 119.20 3ix8 h HIS 63 Ca -0.00 0.03 0.09 0.00 -2.20 0.00 0.00 60.37 58.29 3ix8 h HIS 63 Cb 0.17 0.15 -0.07 0.00 1.55 0.00 0.00 27.41 29.21 3ix8 h HIS 63 CO -0.02 -0.17 0.15 -0.92 -1.30 0.00 0.00 177.93 175.66 3ix8 h TYR 64 N -0.04 0.25 -0.55 5.26 3.20 -0.91 0.25 116.97 124.42 3ix8 h TYR 64 Ca 0.15 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 61.99 3ix8 h TYR 64 Cb 0.28 -0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.49 3ix8 h TYR 64 CO -0.32 0.04 0.09 -0.44 -1.64 0.00 0.00 178.16 175.89 3ix8 h ASP 65 N 0.30 0.87 -0.40 -2.11 5.19 -1.13 -1.81 116.42 117.33 3ix8 h ASP 65 Ca 0.27 -0.26 -0.13 0.00 -0.62 0.00 0.00 57.03 56.29 3ix8 h ASP 65 Cb 0.34 -0.23 -0.01 0.00 0.18 0.00 0.00 39.33 39.61 3ix8 h ASP 65 CO -0.31 0.91 -0.25 -0.09 -3.12 0.00 0.00 179.24 176.37 3ix8 h ARG 66 N 0.79 0.87 0.00 3.56 2.43 -0.48 -2.83 114.38 118.73 3ix8 h ARG 66 Ca 0.17 -0.41 0.00 0.00 -0.81 0.00 0.00 59.98 58.93 3ix8 h ARG 66 Cb 0.41 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.95 3ix8 h ARG 66 CO 0.01 1.05 0.00 0.00 -1.51 0.00 0.00 179.97 179.52 3ix8 n ALA 67 N -2.51 2.52 -3.46 2.80 0.00 0.80 -4.91 120.51 115.75 3ix8 n ALA 67 Ca -0.02 -0.16 -0.25 0.00 0.00 0.00 0.00 53.44 53.01 3ix8 n ALA 67 Cb 0.47 -1.48 0.04 0.00 0.00 0.00 0.00 19.45 18.47 3ix8 n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ix8 n GLY 68 N 1.07 -0.52 0.22 0.00 0.00 -0.95 -4.89 105.19 100.13 3ix8 n GLY 68 Ca 0.18 0.18 0.15 0.00 0.00 0.00 0.00 46.02 46.53 3ix8 n GLY 68 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3ix8 h TYR 69 N -1.86 0.00 -0.32 1.61 0.05 -1.63 -2.66 116.97 112.17 3ix8 h TYR 69 Ca -0.54 0.00 0.09 0.00 0.05 0.00 0.00 58.73 58.33 3ix8 h TYR 69 Cb 1.36 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 39.09 3ix8 h TYR 69 CO 0.55 0.00 0.25 0.00 -1.05 0.00 0.00 178.16 177.91 3ix8 h ALA 70 N 2.04 2.21 0.00 3.88 0.00 -1.90 0.41 119.26 125.90 3ix8 h ALA 70 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3ix8 h ALA 70 Cb 0.09 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3ix8 h ALA 70 CO 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 179.25 178.84 3ix8 h ARG 71 N 0.00 0.00 0.00 0.00 3.08 -1.86 -3.37 114.38 112.23 3ix8 h ARG 71 Ca 0.15 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 60.07 3ix8 h ARG 71 Cb 0.65 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.67 3ix8 h ARG 71 CO -0.00 0.00 -1.50 1.55 -1.07 0.00 0.00 179.97 178.94 3ix8 n VAL 72 N -2.51 0.51 -1.54 2.04 3.14 0.07 -5.00 118.33 115.02 3ix8 n VAL 72 Ca 0.05 -0.26 -0.55 0.00 -2.96 0.00 0.00 64.34 60.62 3ix8 n VAL 72 Cb 0.45 -0.82 -0.08 0.00 -1.06 0.00 0.00 33.84 32.34 3ix8 n VAL 72 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 3ix8 n ASP 73 N -2.48 2.12 0.22 6.55 -0.08 0.12 -4.78 116.55 118.22 3ix8 n ASP 73 Ca -0.14 0.74 0.15 0.00 -1.51 0.00 0.00 54.79 54.04 3ix8 n ASP 73 Cb 0.71 -1.17 0.66 0.00 2.34 0.00 0.00 41.12 43.65 3ix8 n ASP 73 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3ix8 h PRO 74 N 9.73 0.00 -0.07 -0.67 0.13 -1.90 -2.48 132.00 136.74 3ix8 h PRO 74 Ca -0.34 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.60 3ix8 h PRO 74 Cb 1.33 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.46 3ix8 h PRO 74 CO 1.00 0.00 -0.76 1.79 -0.23 0.00 0.00 178.00 179.80 3ix8 h THR 75 N 0.00 1.38 -0.06 1.56 1.35 -1.93 -2.36 112.91 112.85 3ix8 h THR 75 Ca 0.00 -2.18 -0.00 0.00 -0.55 0.00 0.00 66.41 63.68 3ix8 h THR 75 Cb 0.35 2.15 -0.00 0.00 -1.73 0.00 0.00 68.15 68.92 3ix8 h THR 75 CO 0.00 0.66 0.03 0.58 -0.25 0.00 0.00 175.52 176.53 3ix8 h VAL 76 N 0.28 1.11 -0.71 6.82 2.07 -1.76 -0.13 116.25 123.94 3ix8 h VAL 76 Ca -0.04 -0.34 -0.04 0.00 0.82 0.00 0.00 66.70 67.10 3ix8 h VAL 76 Cb 1.34 1.24 -0.03 0.00 -1.52 0.00 0.00 31.29 32.32 3ix8 h VAL 76 CO 0.13 0.10 0.28 0.77 0.02 0.00 0.00 177.57 178.87 3ix8 h SER 77 N -0.04 0.96 -0.39 0.57 4.64 -1.60 -2.41 113.55 115.28 3ix8 h SER 77 Ca 0.02 -0.14 0.03 0.00 -0.47 0.00 0.00 61.79 61.23 3ix8 h SER 77 Cb 0.13 -0.25 -0.04 0.00 -0.31 0.00 0.00 62.40 61.94 3ix8 h SER 77 CO -0.00 0.86 0.18 -0.74 -0.87 0.00 0.00 176.83 176.25 3ix8 h HIS 78 N 1.02 0.32 -0.40 4.77 6.17 -1.08 -2.74 115.15 123.21 3ix8 h HIS 78 Ca 0.24 0.02 0.05 0.00 0.71 0.00 0.00 60.37 61.39 3ix8 h HIS 78 Cb 0.20 -0.09 -0.02 0.00 2.52 0.00 0.00 27.41 30.02 3ix8 h HIS 78 CO 0.02 0.16 0.27 0.00 0.71 0.00 0.00 177.93 179.09 3ix8 h THR 80 N 0.32 0.00 0.00 0.00 1.35 -1.25 -3.31 112.91 110.03 3ix8 h THR 80 Ca 0.17 -0.35 0.00 0.00 -0.55 0.00 0.00 66.41 65.69 3ix8 h THR 80 Cb 0.28 1.22 0.00 0.00 -1.73 0.00 0.00 68.15 67.92 3ix8 h THR 80 CO -0.04 0.00 -0.27 0.00 -0.25 0.00 0.00 175.52 174.96 3ix8 n GLN 81 N -2.71 5.14 -3.83 4.72 6.02 -0.38 -5.07 117.38 121.28 3ix8 n GLN 81 Ca 0.01 -0.00 -0.10 0.00 -0.01 0.00 0.00 57.00 56.89 3ix8 n GLN 81 Cb 0.25 -0.76 -0.08 0.00 1.02 0.00 0.00 30.24 30.67 3ix8 n GLN 81 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 3ix8 s SER 82 N -1.53 0.01 0.00 1.08 0.15 -0.84 -5.01 113.70 107.56 3ix8 s SER 82 Ca 0.02 -0.38 0.20 0.00 0.70 0.00 0.00 55.95 56.49 3ix8 s SER 82 Cb 0.04 0.32 0.23 0.00 -1.71 0.00 0.00 66.02 64.90 3ix8 s SER 82 CO 0.22 -0.61 1.20 1.33 1.20 0.00 0.00 173.24 176.59 3ix8 n VAL 83 N 0.51 0.18 -3.58 4.45 0.24 -1.26 -4.65 118.33 114.22 3ix8 n VAL 83 Ca -0.18 -0.59 -0.29 0.00 -2.04 0.00 0.00 64.34 61.24 3ix8 n VAL 83 Cb 0.60 1.26 -0.04 0.00 -1.47 0.00 0.00 33.84 34.19 3ix8 n VAL 83 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3ix8 s LEU 84 N -1.57 4.19 0.67 1.34 1.43 -1.26 -4.56 118.68 118.90 3ix8 s LEU 84 Ca 0.27 0.56 -0.15 0.00 -1.03 0.00 0.00 54.13 53.78 3ix8 s LEU 84 Cb 0.18 -3.33 0.00 0.00 0.03 0.00 0.00 46.19 43.07 3ix8 s LEU 84 CO 0.26 -0.06 1.13 -2.16 0.23 0.00 0.00 176.35 175.75 3ix8 s PRO 85 N -3.19 2.69 -0.21 1.29 0.04 -1.26 -4.43 135.00 129.93 3ix8 s PRO 85 Ca 0.41 1.50 -0.03 0.00 0.04 0.00 0.00 61.00 62.92 3ix8 s PRO 85 Cb -0.11 -1.93 -0.00 0.00 0.04 0.00 0.00 34.50 32.50 3ix8 s PRO 85 CO 0.28 -1.36 -0.08 -1.50 0.04 0.00 0.00 177.00 174.38 3ix8 s ILE 86 N -2.20 3.03 0.21 0.56 2.07 -0.18 -4.97 121.20 119.71 3ix8 s ILE 86 Ca 0.69 -0.61 -0.25 0.00 -1.41 0.00 0.00 60.65 59.08 3ix8 s ILE 86 Cb -0.23 -2.36 -0.08 0.00 0.13 0.00 0.00 42.46 39.92 3ix8 s ILE 86 CO 0.41 0.45 0.80 -0.36 -1.91 0.00 0.00 174.94 174.34 3ix8 s PHE 87 N 1.41 3.83 -0.80 3.50 0.08 -1.26 -0.99 117.98 123.75 3ix8 s PHE 87 Ca 0.05 1.63 -0.26 0.00 0.12 0.00 0.00 56.93 58.47 3ix8 s PHE 87 Cb -0.14 -2.78 0.04 0.00 -0.57 0.00 0.00 43.02 39.57 3ix8 s PHE 87 CO -0.06 0.43 1.30 -1.58 -0.10 0.00 0.00 175.22 175.21 3ix8 s TRP 88 N -1.30 2.37 0.08 0.36 0.51 -0.30 -4.90 118.94 115.77 3ix8 s TRP 88 Ca 0.40 -0.28 0.07 0.00 -2.12 0.00 0.00 56.10 54.17 3ix8 s TRP 88 Cb -0.21 -4.62 -0.03 0.00 -0.81 0.00 0.00 33.47 27.80 3ix8 s TRP 88 CO 0.25 -2.01 -0.18 -1.21 -0.51 0.00 0.00 176.95 173.29 3ix8 s GLU 89 N 5.42 1.04 0.47 4.98 2.02 -1.26 -4.54 118.70 126.83 3ix8 s GLU 89 Ca 0.37 -1.04 0.30 0.00 0.02 0.00 0.00 54.97 54.61 3ix8 s GLU 89 Cb -0.07 -1.19 1.38 0.00 0.10 0.00 0.00 34.13 34.35 3ix8 s GLU 89 CO 0.09 0.28 1.75 -1.35 0.02 0.00 0.00 175.26 176.05 3ix8 h PRO 90 N 4.30 0.16 -0.01 0.39 0.11 -1.93 -0.52 132.00 134.50 3ix8 h PRO 90 Ca -0.43 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3ix8 h PRO 90 Cb 1.18 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.26 3ix8 h PRO 90 CO 0.41 0.10 0.01 0.66 -0.21 0.00 0.00 178.00 178.97 3ix8 h SER 91 N 0.16 0.00 1.39 -2.05 4.64 -1.97 -1.23 113.55 114.49 3ix8 h SER 91 Ca 0.63 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.95 3ix8 h SER 91 Cb 2.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.20 3ix8 h SER 91 CO -0.18 0.00 0.00 0.16 -0.87 0.00 0.00 176.83 175.94 3ix8 h ILE 92 N 0.00 0.00 -3.06 0.95 3.07 -1.43 -3.40 117.51 113.64 3ix8 h ILE 92 Ca 0.00 -0.49 -0.73 0.00 1.55 0.00 0.00 64.86 65.19 3ix8 h ILE 92 Cb 0.02 1.45 -0.22 0.00 -0.27 0.00 0.00 36.82 37.80 3ix8 h ILE 92 CO -0.00 0.00 0.06 -0.31 -1.05 0.00 0.00 178.15 176.85 3ix8 s TYR 93 N -3.17 3.20 -0.17 0.16 2.02 -0.47 -4.74 117.35 114.17 3ix8 s TYR 93 Ca 0.09 -1.24 -0.05 0.00 -0.37 0.00 0.00 57.07 55.50 3ix8 s TYR 93 Cb 0.11 -3.94 -0.09 0.00 -0.40 0.00 0.00 41.96 37.64 3ix8 s TYR 93 CO 0.57 -1.18 -0.19 1.04 -1.57 0.00 0.00 175.55 174.21 3ix8 n GLN 94 N 5.67 0.39 -1.69 -0.62 6.02 -1.26 -4.68 117.38 121.21 3ix8 n GLN 94 Ca -0.05 0.13 -0.30 0.00 -0.01 0.00 0.00 57.00 56.77 3ix8 n GLN 94 Cb 0.43 -1.21 0.06 0.00 1.02 0.00 0.00 30.24 30.53 3ix8 n GLN 94 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 3ix8 s THR 95 N -2.33 3.66 0.21 5.09 -4.23 -1.26 -4.87 115.64 111.91 3ix8 s THR 95 Ca -0.24 0.54 -0.10 0.00 -1.18 0.00 0.00 61.69 60.72 3ix8 s THR 95 Cb 0.08 -3.38 0.14 0.00 1.34 0.00 0.00 72.50 70.67 3ix8 s THR 95 CO 0.34 -0.71 1.81 -0.09 -0.54 0.00 0.00 174.62 175.44 3ix8 h ARG 96 N -0.77 0.68 -0.87 3.99 2.43 -2.00 -0.94 114.38 116.90 3ix8 h ARG 96 Ca -0.45 -0.04 0.01 0.00 -0.81 0.00 0.00 59.98 58.69 3ix8 h ARG 96 Cb 1.24 -0.15 -0.04 0.00 -0.42 0.00 0.00 29.97 30.59 3ix8 h ARG 96 CO 0.60 0.45 0.58 0.87 -1.51 0.00 0.00 179.97 180.96 3ix8 h LYS 97 N 0.70 1.13 -0.21 0.20 1.79 -1.99 -2.23 116.57 115.96 3ix8 h LYS 97 Ca 0.29 -0.07 -0.10 0.00 -2.18 0.00 0.00 60.65 58.58 3ix8 h LYS 97 Cb 0.15 -0.26 -0.01 0.00 -1.58 0.00 0.00 32.23 30.53 3ix8 h LYS 97 CO -0.16 0.75 -0.32 1.96 -1.08 0.00 0.00 179.45 180.60 3ix8 h GLN 98 N 1.17 0.43 -0.50 3.15 4.20 -1.61 0.29 115.11 122.24 3ix8 h GLN 98 Ca 0.32 -0.18 -0.04 0.00 0.06 0.00 0.00 58.65 58.81 3ix8 h GLN 98 Cb -0.12 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.62 3ix8 h GLN 98 CO -0.07 0.70 0.15 0.45 -0.67 0.00 0.00 178.83 179.40 3ix8 h HIS 99 N 0.37 0.80 -0.47 2.96 3.86 -0.79 0.43 115.15 122.32 3ix8 h HIS 99 Ca 0.05 -0.08 0.01 0.00 -1.16 0.00 0.00 60.37 59.18 3ix8 h HIS 99 Cb 0.74 -0.23 -0.02 0.00 1.06 0.00 0.00 27.41 28.96 3ix8 h HIS 99 CO 0.02 0.70 0.31 0.93 0.86 0.00 0.00 177.93 180.75 3ix8 h GLU 100 N 0.67 0.61 -0.12 2.45 5.08 -1.13 -1.80 114.58 120.35 3ix8 h GLU 100 Ca 0.16 -0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.50 3ix8 h GLU 100 Cb 0.28 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 3ix8 h GLU 100 CO -0.00 0.41 0.00 0.35 -1.00 0.00 0.00 179.01 178.76 3ix8 h PHE 101 N 0.63 -0.00 -0.64 4.33 3.57 -0.70 -1.95 116.94 122.19 3ix8 h PHE 101 Ca 0.17 0.01 0.11 0.00 3.53 0.00 0.00 57.97 61.79 3ix8 h PHE 101 Cb -0.07 0.02 -0.08 0.00 2.79 0.00 0.00 35.95 38.61 3ix8 h PHE 101 CO -0.04 -0.01 0.22 0.35 -2.23 0.00 0.00 178.31 176.59 3ix8 h PHE 102 N 0.04 0.37 -0.70 0.41 3.57 -0.69 0.18 116.94 120.13 3ix8 h PHE 102 Ca 0.05 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.59 3ix8 h PHE 102 Cb 0.06 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 38.70 3ix8 h PHE 102 CO -0.13 0.06 0.45 0.93 -2.23 0.00 0.00 178.31 177.39 3ix8 h GLU 103 N 0.38 0.92 -0.21 1.11 5.08 -0.93 0.22 114.58 121.16 3ix8 h GLU 103 Ca 0.33 -0.06 -0.19 0.00 -1.00 0.00 0.00 59.36 58.43 3ix8 h GLU 103 Cb 0.45 -0.21 0.01 0.00 0.50 0.00 0.00 28.75 29.50 3ix8 h GLU 103 CO -0.35 0.62 -0.63 0.93 -1.00 0.00 0.00 179.01 178.59 3ix8 h GLU 104 N 0.95 0.80 -0.53 2.33 4.39 -0.56 -2.50 114.58 119.45 3ix8 h GLU 104 Ca 0.25 -0.58 -0.10 0.00 0.34 0.00 0.00 59.36 59.28 3ix8 h GLU 104 Cb -0.09 0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 28.63 3ix8 h GLU 104 CO -0.05 1.20 -0.07 0.00 -1.16 0.00 0.00 179.01 178.92 3ix8 h ALA 105 N 0.60 0.87 -0.68 3.43 0.00 -0.56 -2.48 119.26 120.44 3ix8 h ALA 105 Ca -0.02 -0.33 0.05 0.00 0.00 0.00 0.00 54.91 54.62 3ix8 h ALA 105 Cb 1.25 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.79 3ix8 h ALA 105 CO 0.13 0.65 0.40 1.03 0.00 0.00 0.00 179.25 181.46 3ix8 h SER 106 N 0.87 0.61 -0.03 0.00 0.87 -0.94 0.14 113.55 115.07 3ix8 h SER 106 Ca 0.15 0.02 -0.02 0.00 -1.23 0.00 0.00 61.79 60.71 3ix8 h SER 106 Cb 0.61 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.45 3ix8 h SER 106 CO 0.04 0.40 -0.02 0.00 -0.53 0.00 0.00 176.83 176.72 3ix8 h ALA 107 N 1.34 1.78 -0.12 6.23 0.00 -1.06 -0.79 119.26 126.63 3ix8 h ALA 107 Ca 0.30 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3ix8 h ALA 107 Cb 0.14 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3ix8 h ALA 107 CO -0.16 0.17 0.00 0.00 0.00 0.00 0.00 179.25 179.26 3ix8 n ALA 108 N -2.51 2.53 -0.67 0.00 0.00 -0.70 -4.89 120.51 114.28 3ix8 n ALA 108 Ca -0.01 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.09 3ix8 n ALA 108 Cb 0.16 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.48 3ix8 n ALA 108 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ix8 n GLY 109 N 0.92 0.59 3.19 0.00 0.00 -0.30 -4.80 105.19 104.80 3ix8 n GLY 109 Ca 0.13 -0.71 -0.39 0.00 0.00 0.00 0.00 46.02 45.05 3ix8 n GLY 109 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ix8 s LEU 110 N 0.00 5.84 -0.10 0.99 1.43 -0.05 -4.79 118.68 122.01 3ix8 s LEU 110 Ca 0.00 -3.63 -0.09 0.00 -1.03 0.00 0.00 54.13 49.38 3ix8 s LEU 110 Cb 0.00 -2.02 -0.05 0.00 0.03 0.00 0.00 46.19 44.15 3ix8 s LEU 110 CO 0.00 -0.23 -0.19 0.52 0.23 0.00 0.00 176.35 176.68 3ix8 n VAL 111 N 2.52 1.09 -4.60 -1.59 0.31 -1.26 -3.81 118.33 110.99 3ix8 n VAL 111 Ca 0.22 0.01 -0.33 0.00 -0.01 0.00 0.00 64.34 64.23 3ix8 n VAL 111 Cb 0.38 -1.85 -0.11 0.00 -0.91 0.00 0.00 33.84 31.35 3ix8 n VAL 111 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 3ix8 s TYR 112 N -2.38 2.84 -5.00 3.52 2.02 -1.26 -4.80 117.35 112.30 3ix8 s TYR 112 Ca -0.19 -0.06 0.00 0.00 -0.37 0.00 0.00 57.07 56.46 3ix8 s TYR 112 Cb 0.05 -1.63 0.00 0.00 -0.40 0.00 0.00 41.96 39.98 3ix8 s TYR 112 CO 0.25 0.32 0.00 0.41 -1.57 0.00 0.00 175.55 174.96 3ix8 n GLY 113 N 1.89 -0.57 3.40 0.71 0.00 -1.26 -0.29 105.19 109.07 3ix8 n GLY 113 Ca -0.17 -1.31 -0.10 0.00 0.00 0.00 0.00 46.02 44.44 3ix8 n GLY 113 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3ix8 s LEU 114 N 0.00 0.41 -0.08 0.99 2.34 -0.81 -1.15 118.68 120.38 3ix8 s LEU 114 Ca 0.00 -0.49 0.03 0.00 0.06 0.00 0.00 54.13 53.73 3ix8 s LEU 114 Cb 0.00 1.82 0.01 0.00 -0.56 0.00 0.00 46.19 47.46 3ix8 s LEU 114 CO 0.00 -0.94 -0.18 -0.89 -1.06 0.00 0.00 176.35 173.28 3ix8 s THR 115 N -3.86 1.61 -0.32 5.48 2.01 -0.16 -1.40 115.64 119.00 3ix8 s THR 115 Ca 0.08 -0.76 -0.12 0.00 0.31 0.00 0.00 61.69 61.21 3ix8 s THR 115 Cb 0.01 -1.42 -0.02 0.00 0.01 0.00 0.00 72.50 71.08 3ix8 s THR 115 CO -0.06 0.46 0.20 -0.04 -0.69 0.00 0.00 174.62 174.49 3ix8 s MET 116 N 0.52 3.54 0.50 4.92 1.00 0.18 -1.01 119.30 128.94 3ix8 s MET 116 Ca -0.16 -0.60 -0.23 0.00 0.00 0.00 0.00 55.69 54.69 3ix8 s MET 116 Cb -0.17 -3.71 -0.06 0.00 0.00 0.00 0.00 34.83 30.89 3ix8 s MET 116 CO 0.06 -0.38 1.33 -2.14 0.00 0.00 0.00 175.02 173.89 3ix8 s PRO 117 N 1.70 3.44 -0.16 2.03 0.02 -1.26 -0.88 135.00 139.89 3ix8 s PRO 117 Ca 0.06 2.18 0.01 0.00 0.02 0.00 0.00 61.00 63.26 3ix8 s PRO 117 Cb -0.17 -2.41 0.00 0.00 0.02 0.00 0.00 34.50 31.94 3ix8 s PRO 117 CO 0.09 -0.93 -0.17 -0.51 -0.33 0.00 0.00 177.00 175.16 3ix8 s LEU 118 N -3.16 2.38 -0.25 -5.54 1.43 -0.01 -4.85 118.68 108.68 3ix8 s LEU 118 Ca 0.66 -0.51 -0.01 0.00 -1.03 0.00 0.00 54.13 53.24 3ix8 s LEU 118 Cb -0.39 -1.53 0.08 0.00 0.03 0.00 0.00 46.19 44.37 3ix8 s LEU 118 CO 0.47 0.07 0.04 -1.00 0.23 0.00 0.00 176.35 176.16 3ix8 s HIS 119 N 0.87 1.70 0.71 0.29 3.76 -1.26 -1.03 115.29 120.33 3ix8 s HIS 119 Ca -0.05 -1.47 -0.09 0.00 -0.15 0.00 0.00 55.06 53.31 3ix8 s HIS 119 Cb -0.15 -1.47 0.04 0.00 1.11 0.00 0.00 32.58 32.11 3ix8 s HIS 119 CO -0.02 -0.76 1.06 0.20 -0.85 0.00 0.00 174.74 174.38 3ix8 s GLY 120 N 1.63 1.63 0.49 -2.22 0.00 -0.27 -4.93 107.32 103.64 3ix8 s GLY 120 Ca 0.02 -0.65 0.25 0.00 0.00 0.00 0.00 44.72 44.34 3ix8 s GLY 120 CO -0.14 -0.25 2.00 0.00 0.00 0.00 0.00 173.10 174.71 3ix8 h ALA 121 N -0.65 1.25 -0.50 3.20 0.00 -1.98 -2.32 119.26 118.26 3ix8 h ALA 121 Ca -0.45 -0.15 -0.17 0.00 0.00 0.00 0.00 54.91 54.14 3ix8 h ALA 121 Cb 1.29 -0.03 -0.10 0.00 0.00 0.00 0.00 17.79 18.95 3ix8 h ALA 121 CO 0.63 0.20 0.12 0.54 0.00 0.00 0.00 179.25 180.74 3ix8 n ARG 122 N -3.64 2.76 -0.72 0.00 1.74 -1.26 -4.93 116.66 110.61 3ix8 n ARG 122 Ca -0.01 -3.04 0.00 0.00 -0.77 0.00 0.00 57.85 54.02 3ix8 n ARG 122 Cb 0.29 -1.98 0.00 0.00 -1.02 0.00 0.00 32.46 29.75 3ix8 n ARG 122 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3ix8 n GLY 123 N -0.66 0.69 3.74 -0.13 0.00 -0.87 -4.42 105.19 103.54 3ix8 n GLY 123 Ca 0.35 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.97 3ix8 n GLY 123 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3ix8 n GLU 124 N -2.55 2.04 -4.75 1.61 4.71 -1.26 -3.63 120.64 116.81 3ix8 n GLU 124 Ca 0.00 0.73 -0.26 0.00 -0.01 0.00 0.00 57.16 57.62 3ix8 n GLU 124 Cb 0.00 -2.57 -0.17 0.00 -1.01 0.00 0.00 31.44 27.70 3ix8 n GLU 124 CO 0.00 0.00 0.00 -1.17 0.09 0.00 0.00 177.13 176.05 3ix8 s LEU 125 N -2.68 1.78 0.00 -4.62 2.96 -0.23 -1.12 118.68 114.76 3ix8 s LEU 125 Ca 0.64 -0.36 0.00 0.00 -0.22 0.00 0.00 54.13 54.19 3ix8 s LEU 125 Cb -0.45 -0.97 0.00 0.00 0.50 0.00 0.00 46.19 45.27 3ix8 s LEU 125 CO 0.55 0.08 0.00 0.61 -1.32 0.00 0.00 176.35 176.27 3ix8 n GLY 126 N 3.67 1.86 3.27 7.98 0.00 -0.19 -0.09 105.19 121.68 3ix8 n GLY 126 Ca -0.21 -0.98 -0.13 0.00 0.00 0.00 0.00 46.02 44.69 3ix8 n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ix8 s ALA 127 N -1.00 -0.91 -0.27 4.61 0.00 -0.43 -0.83 121.76 122.93 3ix8 s ALA 127 Ca 0.00 0.72 0.01 0.00 0.00 0.00 0.00 51.96 52.69 3ix8 s ALA 127 Cb 0.00 -0.25 0.05 0.00 0.00 0.00 0.00 23.12 22.93 3ix8 s ALA 127 CO 0.00 -0.23 -0.07 -1.17 0.00 0.00 0.00 175.76 174.29 3ix8 s LEU 128 N -0.62 3.53 -0.03 0.00 2.96 -0.06 -1.18 118.68 123.27 3ix8 s LEU 128 Ca -0.07 -1.30 -0.01 0.00 -0.22 0.00 0.00 54.13 52.53 3ix8 s LEU 128 Cb -0.04 -1.61 -0.04 0.00 0.50 0.00 0.00 46.19 45.01 3ix8 s LEU 128 CO 0.03 -0.20 0.05 -0.44 -1.32 0.00 0.00 176.35 174.46 3ix8 s SER 129 N 1.17 5.49 -0.06 3.68 0.01 0.27 -0.65 113.70 123.61 3ix8 s SER 129 Ca -0.07 0.14 -0.02 0.00 1.31 0.00 0.00 55.95 57.31 3ix8 s SER 129 Cb -0.19 -1.56 0.04 0.00 0.21 0.00 0.00 66.02 64.52 3ix8 s SER 129 CO -0.04 0.31 0.11 -0.76 0.41 0.00 0.00 173.24 173.28 3ix8 s LEU 130 N -1.41 0.55 0.26 2.44 1.02 -0.50 -1.71 118.68 119.33 3ix8 s LEU 130 Ca 0.19 0.22 0.00 0.00 0.02 0.00 0.00 54.13 54.57 3ix8 s LEU 130 Cb -0.12 0.19 -0.04 0.00 0.02 0.00 0.00 46.19 46.24 3ix8 s LEU 130 CO 0.09 -0.18 0.44 -0.94 0.02 0.00 0.00 176.35 175.78 3ix8 s SER 131 N 1.52 6.35 -0.09 2.29 1.04 -0.17 -1.92 113.70 122.73 3ix8 s SER 131 Ca -0.05 0.37 0.01 0.00 0.48 0.00 0.00 55.95 56.77 3ix8 s SER 131 Cb -0.12 -2.00 0.02 0.00 0.10 0.00 0.00 66.02 64.02 3ix8 s SER 131 CO -0.05 -0.13 -0.11 -0.69 0.98 0.00 0.00 173.24 173.24 3ix8 s VAL 132 N -2.03 1.11 -0.19 5.02 1.01 0.60 -0.77 120.40 125.16 3ix8 s VAL 132 Ca 0.38 -0.41 -0.26 0.00 0.00 0.00 0.00 61.98 61.69 3ix8 s VAL 132 Cb -0.10 -1.06 -0.01 0.00 0.00 0.00 0.00 36.38 35.21 3ix8 s VAL 132 CO 0.31 0.36 0.88 -1.61 0.00 0.00 0.00 175.10 175.05 3ix8 s GLU 133 N 1.09 4.28 0.14 2.72 0.41 -1.26 -4.26 118.70 121.81 3ix8 s GLU 133 Ca -0.06 1.10 -0.20 0.00 -0.41 0.00 0.00 54.97 55.40 3ix8 s GLU 133 Cb -0.14 -3.60 0.05 0.00 -1.78 0.00 0.00 34.13 28.66 3ix8 s GLU 133 CO -0.01 -0.42 0.50 0.00 -0.49 0.00 0.00 175.26 174.84 3ix8 s ALA 134 N 2.47 -1.26 -0.27 5.21 0.00 -1.26 -4.95 121.76 121.70 3ix8 s ALA 134 Ca 0.40 0.21 0.23 0.00 0.00 0.00 0.00 51.96 52.79 3ix8 s ALA 134 Cb -0.16 0.79 0.04 0.00 0.00 0.00 0.00 23.12 23.80 3ix8 s ALA 134 CO 0.11 -0.71 1.11 0.93 0.00 0.00 0.00 175.76 177.20 3ix8 h GLU 135 N 2.18 0.00 -3.25 0.00 5.08 -1.96 -3.48 114.58 113.16 3ix8 h GLU 135 Ca -0.34 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.04 3ix8 h GLU 135 Cb 1.28 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.46 3ix8 h GLU 135 CO 0.42 0.00 0.10 0.54 -1.00 0.00 0.00 179.01 179.07 3ix8 s ASN 136 N -5.42 -0.21 0.22 1.42 2.20 -1.26 -5.06 114.94 106.83 3ix8 s ASN 136 Ca 0.00 -0.70 -0.08 0.00 -0.94 0.00 0.00 52.86 51.14 3ix8 s ASN 136 Cb 0.09 0.67 0.26 0.00 -2.00 0.00 0.00 41.25 40.27 3ix8 s ASN 136 CO 0.78 -1.25 1.84 -0.09 -2.94 0.00 0.00 177.10 175.43 3ix8 h ARG 137 N 2.10 0.82 -0.84 3.55 2.43 -1.99 -2.11 114.38 118.34 3ix8 h ARG 137 Ca -0.22 -0.05 0.02 0.00 -0.81 0.00 0.00 59.98 58.91 3ix8 h ARG 137 Cb 1.25 -0.18 -0.04 0.00 -0.42 0.00 0.00 29.97 30.57 3ix8 h ARG 137 CO 0.28 0.54 0.55 0.00 -1.51 0.00 0.00 179.97 179.84 3ix8 h ALA 138 N 1.36 1.08 -0.10 2.80 0.00 -1.99 0.36 119.26 122.77 3ix8 h ALA 138 Ca 0.32 -0.05 -0.22 0.00 0.00 0.00 0.00 54.91 54.96 3ix8 h ALA 138 Cb 0.13 -0.32 0.01 0.00 0.00 0.00 0.00 17.79 17.60 3ix8 h ALA 138 CO -0.16 0.44 -0.82 0.93 0.00 0.00 0.00 179.25 179.65 3ix8 h GLU 139 N 1.11 0.64 -0.44 0.00 4.39 -1.93 -1.21 114.58 117.15 3ix8 h GLU 139 Ca 0.32 -0.56 0.01 0.00 0.34 0.00 0.00 59.36 59.47 3ix8 h GLU 139 Cb -0.08 0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 28.67 3ix8 h GLU 139 CO -0.08 1.17 0.27 0.00 -1.16 0.00 0.00 179.01 179.21 3ix8 h ALA 140 N 0.66 0.55 -0.38 3.43 0.00 -1.03 -1.71 119.26 120.78 3ix8 h ALA 140 Ca -0.06 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.75 3ix8 h ALA 140 Cb 1.43 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 19.06 3ix8 h ALA 140 CO 0.16 -0.04 -0.13 -0.91 0.00 0.00 0.00 179.25 178.33 3ix8 h ASN 141 N 0.55 0.67 -0.30 0.00 -0.26 -0.86 -1.13 115.58 114.24 3ix8 h ASN 141 Ca 0.17 -0.19 -0.00 0.00 -0.56 0.00 0.00 56.30 55.71 3ix8 h ASN 141 Cb -0.02 -0.18 -0.01 0.00 -1.06 0.00 0.00 38.32 37.05 3ix8 h ASN 141 CO -0.06 0.82 0.17 -0.09 -1.06 0.00 0.00 177.43 177.21 3ix8 h ARG 142 N 0.62 0.42 -0.07 0.81 2.43 -0.92 -1.31 114.38 116.36 3ix8 h ARG 142 Ca 0.11 -0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.23 3ix8 h ARG 142 Cb 0.57 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 30.03 3ix8 h ARG 142 CO 0.04 0.34 0.03 0.35 -1.51 0.00 0.00 179.97 179.22 3ix8 h PHE 143 N 0.37 0.10 -0.56 2.20 3.57 -1.10 -2.29 116.94 119.24 3ix8 h PHE 143 Ca 0.11 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.65 3ix8 h PHE 143 Cb 0.04 -0.03 -0.05 0.00 2.79 0.00 0.00 35.95 38.70 3ix8 h PHE 143 CO -0.03 0.22 0.28 0.52 -2.23 0.00 0.00 178.31 177.07 3ix8 h MET 144 N -0.04 0.52 -0.96 1.11 2.86 -1.13 -1.28 114.93 116.00 3ix8 h MET 144 Ca 0.02 -0.03 0.06 0.00 -2.06 0.00 0.00 59.70 57.69 3ix8 h MET 144 Cb 0.16 -0.12 -0.06 0.00 0.06 0.00 0.00 31.60 31.64 3ix8 h MET 144 CO -0.00 0.35 0.62 1.49 1.06 0.00 0.00 176.91 180.42 3ix8 h GLU 145 N 0.54 1.11 0.00 1.72 4.81 -1.19 0.49 114.58 122.06 3ix8 h GLU 145 Ca 0.25 -0.07 -0.03 0.00 -0.13 0.00 0.00 59.36 59.38 3ix8 h GLU 145 Cb 0.17 -0.25 -0.00 0.00 0.63 0.00 0.00 28.75 29.29 3ix8 h GLU 145 CO -0.18 0.73 -0.17 0.66 -0.73 0.00 0.00 179.01 179.33 3ix8 h SER 146 N 1.14 0.00 -0.01 1.04 4.64 -0.64 -3.00 113.55 116.72 3ix8 h SER 146 Ca 0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.73 3ix8 h SER 146 Cb 0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 3ix8 h SER 146 CO -0.16 0.17 0.00 1.33 -0.87 0.00 0.00 176.83 177.30 3ix8 n VAL 147 N -3.64 0.00 -0.23 0.95 0.24 -0.98 -4.77 118.33 109.90 3ix8 n VAL 147 Ca -0.01 -0.50 0.02 0.00 -2.04 0.00 0.00 64.34 61.80 3ix8 n VAL 147 Cb 0.29 1.12 0.14 0.00 -1.47 0.00 0.00 33.84 33.92 3ix8 n VAL 147 CO 0.00 0.00 0.00 0.25 -2.14 0.00 0.00 176.83 174.94 3ix8 h LEU 148 N 1.12 0.34 -0.65 1.34 5.85 -0.76 -1.25 115.31 121.30 3ix8 h LEU 148 Ca 0.00 0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 3ix8 h LEU 148 Cb 0.24 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.27 3ix8 h LEU 148 CO 0.00 0.18 0.36 -0.65 -0.34 0.00 0.00 178.44 177.99 3ix8 h PRO 149 N 0.50 0.90 -0.25 5.25 0.11 -1.86 0.11 132.00 136.76 3ix8 h PRO 149 Ca 0.35 -0.10 0.00 0.00 0.11 0.00 0.00 66.00 66.35 3ix8 h PRO 149 Cb 0.42 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 31.34 3ix8 h PRO 149 CO -0.31 0.68 0.16 1.15 -0.21 0.00 0.00 178.00 179.48 3ix8 h THR 150 N 0.89 1.06 -0.58 -1.15 2.02 -1.79 -2.93 112.91 110.42 3ix8 h THR 150 Ca 0.23 -0.12 -0.05 0.00 0.77 0.00 0.00 66.41 67.25 3ix8 h THR 150 Cb 0.04 0.70 -0.03 0.00 -1.74 0.00 0.00 68.15 67.12 3ix8 h THR 150 CO -0.04 0.06 0.18 0.25 0.37 0.00 0.00 175.52 176.34 3ix8 h LEU 151 N 0.34 0.82 -1.16 2.58 5.85 -0.94 -0.73 115.31 122.06 3ix8 h LEU 151 Ca 0.09 -0.13 0.03 0.00 0.84 0.00 0.00 57.88 58.71 3ix8 h LEU 151 Cb -0.04 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 40.73 3ix8 h LEU 151 CO -0.02 0.77 0.57 -0.25 -0.34 0.00 0.00 178.44 179.17 3ix8 h TRP 152 N 0.86 1.06 -0.09 1.25 2.91 -0.81 -0.02 115.95 121.10 3ix8 h TRP 152 Ca 0.19 0.03 -0.15 0.00 1.13 0.00 0.00 58.89 60.09 3ix8 h TRP 152 Cb 0.26 -0.35 0.01 0.00 -0.51 0.00 0.00 29.16 28.56 3ix8 h TRP 152 CO 0.02 0.62 -0.52 0.52 -1.03 0.00 0.00 178.44 178.05 3ix8 h MET 153 N 1.10 0.51 -0.48 2.65 2.86 -1.28 -3.31 114.93 116.99 3ix8 h MET 153 Ca 0.34 -0.43 0.09 0.00 -2.06 0.00 0.00 59.70 57.64 3ix8 h MET 153 Cb -0.01 0.09 -0.08 0.00 0.06 0.00 0.00 31.60 31.67 3ix8 h MET 153 CO -0.10 1.06 0.00 1.25 1.06 0.00 0.00 176.91 180.18 3ix8 h LEU 154 N 0.10 -0.20 -1.19 1.22 6.46 -0.47 -1.85 115.31 119.39 3ix8 h LEU 154 Ca -0.04 0.11 0.07 0.00 -0.12 0.00 0.00 57.88 57.91 3ix8 h LEU 154 Cb 1.17 0.20 -0.06 0.00 -0.73 0.00 0.00 40.66 41.24 3ix8 h LEU 154 CO 0.11 -0.07 0.57 0.07 -0.62 0.00 0.00 178.44 178.50 3ix8 h LYS 155 N 0.12 0.93 -0.11 1.25 5.09 -1.11 0.11 116.57 122.85 3ix8 h LYS 155 Ca 0.24 -0.06 -0.23 0.00 0.09 0.00 0.00 60.65 60.70 3ix8 h LYS 155 Cb 0.36 -0.21 0.01 0.00 0.10 0.00 0.00 32.23 32.49 3ix8 h LYS 155 CO -0.40 0.62 -0.83 -0.44 -2.09 0.00 0.00 179.45 176.31 3ix8 h ASP 156 N 0.96 0.92 -0.49 7.07 3.32 -1.52 -1.06 116.42 125.62 3ix8 h ASP 156 Ca 0.39 -0.66 0.02 0.00 0.02 0.00 0.00 57.03 56.80 3ix8 h ASP 156 Cb 0.26 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.50 3ix8 h ASP 156 CO -0.15 1.44 0.30 1.88 -1.72 0.00 0.00 179.24 180.99 3ix8 h TYR 157 N 0.47 0.56 -0.59 4.55 0.05 -0.86 -0.58 116.97 120.56 3ix8 h TYR 157 Ca -0.07 0.02 -0.04 0.00 0.05 0.00 0.00 58.73 58.68 3ix8 h TYR 157 Cb 1.47 -0.18 -0.03 0.00 1.01 0.00 0.00 36.73 39.00 3ix8 h TYR 157 CO 0.09 0.32 0.19 0.00 -1.05 0.00 0.00 178.16 177.72 3ix8 h ALA 158 N 1.21 1.22 0.03 3.88 0.00 -0.79 -1.66 119.26 123.15 3ix8 h ALA 158 Ca 0.19 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 3ix8 h ALA 158 Cb 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.56 3ix8 h ALA 158 CO -0.08 0.55 -0.01 1.25 0.00 0.00 0.00 179.25 180.95 3ix8 h LEU 159 N 0.86 -0.03 0.04 0.00 5.85 -0.84 0.26 115.31 121.45 3ix8 h LEU 159 Ca 0.20 -0.18 -0.00 0.00 0.84 0.00 0.00 57.88 58.73 3ix8 h LEU 159 Cb 0.24 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.28 3ix8 h LEU 159 CO -0.01 0.16 -0.02 -0.61 -0.34 0.00 0.00 178.44 177.63 3ix8 h GLN 160 N -0.23 -0.05 0.01 1.25 5.75 -0.99 -0.14 115.11 120.71 3ix8 h GLN 160 Ca -0.00 0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.50 3ix8 h GLN 160 Cb 0.21 0.01 0.00 0.00 1.07 0.00 0.00 27.48 28.78 3ix8 h GLN 160 CO 0.01 0.04 -0.01 1.03 -2.65 0.00 0.00 178.83 177.25 3ix8 h SER 161 N -0.12 -0.02 -0.54 -0.69 0.87 -1.37 -3.28 113.55 108.40 3ix8 h SER 161 Ca -0.01 -0.19 -0.02 0.00 -1.23 0.00 0.00 61.79 60.34 3ix8 h SER 161 Cb 0.11 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.05 3ix8 h SER 161 CO 0.01 0.18 0.27 1.23 -0.53 0.00 0.00 176.83 177.99 3ix8 h GLY 162 N -0.22 0.87 0.82 5.77 0.00 -0.33 -2.15 103.07 107.84 3ix8 h GLY 162 Ca -0.00 -0.41 0.08 0.00 0.00 0.00 0.00 47.33 47.00 3ix8 h GLY 162 CO 0.00 0.39 0.56 0.00 0.00 0.00 0.00 176.54 177.49 3ix8 h ALA 163 N 1.48 1.63 -0.01 3.60 0.00 -1.08 -0.03 119.26 124.86 3ix8 h ALA 163 Ca 0.20 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.96 3ix8 h ALA 163 Cb 0.10 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3ix8 h ALA 163 CO -0.03 0.21 -0.67 0.78 0.00 0.00 0.00 179.25 179.55 3ix8 h GLY 164 N 0.88 0.04 1.09 0.00 0.00 -1.46 -2.26 103.07 101.35 3ix8 h GLY 164 Ca 0.38 -0.05 -0.27 0.00 0.00 0.00 0.00 47.33 47.39 3ix8 h GLY 164 CO -0.15 0.04 -1.14 -2.00 0.00 0.00 0.00 176.54 173.29 3ix8 h LEU 165 N 0.02 0.77 -0.45 3.11 5.85 -1.24 -3.32 115.31 120.05 3ix8 h LEU 165 Ca -0.01 -0.86 -0.13 0.00 0.84 0.00 0.00 57.88 57.72 3ix8 h LEU 165 Cb 1.18 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.95 3ix8 h LEU 165 CO 0.09 1.55 -0.23 0.00 -0.34 0.00 0.00 178.44 179.51 3ix8 h ALA 166 N 0.23 0.64 0.00 1.25 0.00 -1.06 -3.50 119.26 116.82 3ix8 h ALA 166 Ca -0.18 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.33 3ix8 h ALA 166 Cb 1.85 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.49 3ix8 h ALA 166 CO 0.22 0.64 0.00 1.19 0.00 0.00 0.00 179.25 181.29