#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iw0 h LEU 8 N 0.00 0.68 -0.60 0.99 5.85 -1.86 -1.87 115.31 118.51 1iw0 h LEU 8 Ca 0.00 0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.78 1iw0 h LEU 8 Cb 0.00 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 40.98 1iw0 h LEU 8 CO 0.00 0.22 0.26 0.00 -0.34 0.00 0.00 178.44 178.58 1iw0 h ALA 9 N 1.65 0.78 -0.35 1.25 0.00 -1.86 0.47 119.26 121.21 1iw0 h ALA 9 Ca 0.57 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 55.26 1iw0 h ALA 9 Cb 1.05 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1iw0 h ALA 9 CO -0.35 0.37 -0.05 0.28 0.00 0.00 0.00 179.25 179.49 1iw0 h VAL 10 N 0.83 1.27 -0.60 0.00 2.07 -1.87 -2.47 116.25 115.48 1iw0 h VAL 10 Ca 0.20 -1.09 -0.06 0.00 0.82 0.00 0.00 66.70 66.58 1iw0 h VAL 10 Cb 0.16 1.28 -0.03 0.00 -1.52 0.00 0.00 31.29 31.18 1iw0 h VAL 10 CO -0.02 0.36 0.15 -0.08 0.02 0.00 0.00 177.57 178.00 1iw0 h GLU 11 N 0.44 0.93 0.04 1.57 4.81 -1.00 0.83 114.58 122.20 1iw0 h GLU 11 Ca 0.09 -0.20 0.00 0.00 -0.13 0.00 0.00 59.36 59.13 1iw0 h GLU 11 Cb 0.54 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.78 1iw0 h GLU 11 CO 0.03 0.83 -0.05 -0.07 -0.73 0.00 0.00 179.01 179.02 1iw0 h LEU 12 N 0.90 -0.13 -0.24 1.64 3.38 -0.88 0.11 115.31 120.09 1iw0 h LEU 12 Ca 0.19 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.17 1iw0 h LEU 12 Cb 0.31 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 1iw0 h LEU 12 CO -0.00 -0.08 0.11 0.50 0.09 0.00 0.00 178.44 179.06 1iw0 h LYS 13 N -0.11 0.35 -0.69 1.13 3.64 -1.09 -2.04 116.57 117.75 1iw0 h LYS 13 Ca 0.01 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.31 1iw0 h LYS 13 Cb 0.11 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.84 1iw0 h LYS 13 CO -0.02 0.36 0.34 1.96 -2.27 0.00 0.00 179.45 179.82 1iw0 h GLN 14 N 0.25 0.99 0.00 1.90 4.20 -0.75 -1.39 115.11 120.31 1iw0 h GLN 14 Ca 0.08 -0.14 0.00 0.00 0.06 0.00 0.00 58.65 58.65 1iw0 h GLN 14 Cb 0.13 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 27.73 1iw0 h GLN 14 CO -0.01 0.77 0.00 0.66 -0.67 0.00 0.00 178.83 179.59 1iw0 h SER 15 N 0.96 0.00 -0.20 1.46 4.64 -0.60 -3.10 113.55 116.71 1iw0 h SER 15 Ca 0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.56 1iw0 h SER 15 Cb 0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 1iw0 h SER 15 CO -0.03 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.28 1iw0 n THR 16 N -3.00 0.54 -0.32 2.95 -2.24 -0.78 -4.69 114.28 106.74 1iw0 n THR 16 Ca 0.02 -0.77 -0.04 0.00 -2.27 0.00 0.00 64.05 60.99 1iw0 n THR 16 Cb 0.40 0.84 0.08 0.00 -2.10 0.00 0.00 70.33 69.55 1iw0 n THR 16 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1iw0 h ALA 17 N 2.19 1.09 -0.32 6.98 0.00 -1.17 0.28 119.26 128.32 1iw0 h ALA 17 Ca 0.00 -0.11 -0.16 0.00 0.00 0.00 0.00 54.91 54.63 1iw0 h ALA 17 Cb 0.62 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1iw0 h ALA 17 CO 0.00 0.58 -0.44 0.37 0.00 0.00 0.00 179.25 179.76 1iw0 h GLN 18 N 1.19 0.82 -0.44 0.00 4.15 -1.84 -1.61 115.11 117.38 1iw0 h GLN 18 Ca 0.30 -0.46 -0.04 0.00 0.77 0.00 0.00 58.65 59.23 1iw0 h GLN 18 Cb -0.00 0.03 -0.02 0.00 0.21 0.00 0.00 27.48 27.69 1iw0 h GLN 18 CO -0.05 1.09 0.11 0.00 -1.93 0.00 0.00 178.83 178.05 1iw0 h ALA 19 N 0.83 1.37 -0.36 3.38 0.00 -1.71 -1.17 119.26 121.60 1iw0 h ALA 19 Ca 0.04 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.71 1iw0 h ALA 19 Cb 1.02 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1iw0 h ALA 19 CO 0.10 0.45 -0.05 1.25 0.00 0.00 0.00 179.25 181.00 1iw0 h HIS 20 N 0.64 0.74 -0.61 0.00 -0.00 -0.61 -1.13 115.15 114.18 1iw0 h HIS 20 Ca 0.15 -0.15 0.05 0.00 -0.00 0.00 0.00 60.37 60.42 1iw0 h HIS 20 Cb 0.24 -0.18 -0.05 0.00 -0.00 0.00 0.00 27.41 27.41 1iw0 h HIS 20 CO 0.01 0.80 0.33 0.93 -0.00 0.00 0.00 177.93 180.00 1iw0 h GLU 21 N 0.46 0.61 -0.66 5.26 5.08 -0.93 -0.87 114.58 123.53 1iw0 h GLU 21 Ca 0.10 -0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.43 1iw0 h GLU 21 Cb 0.53 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.61 1iw0 h GLU 21 CO 0.03 0.40 0.44 -0.22 -1.00 0.00 0.00 179.01 178.66 1iw0 h LYS 22 N 0.62 0.84 -0.21 2.33 3.64 -0.92 -1.98 116.57 120.89 1iw0 h LYS 22 Ca 0.27 -0.05 -0.06 0.00 -1.27 0.00 0.00 60.65 59.54 1iw0 h LYS 22 Cb 0.15 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.78 1iw0 h LYS 22 CO -0.17 0.56 -0.09 0.00 -2.27 0.00 0.00 179.45 177.48 1iw0 h ALA 23 N 1.60 0.30 -0.99 5.00 0.00 -0.09 -2.51 119.26 122.57 1iw0 h ALA 23 Ca 0.25 -0.29 0.17 0.00 0.00 0.00 0.00 54.91 55.04 1iw0 h ALA 23 Cb -0.06 -0.07 -0.10 0.00 0.00 0.00 0.00 17.79 17.56 1iw0 h ALA 23 CO -0.06 0.13 0.62 0.93 0.00 0.00 0.00 179.25 180.87 1iw0 h GLU 24 N 0.15 0.76 -0.23 0.00 5.08 -0.79 -2.10 114.58 117.45 1iw0 h GLU 24 Ca 0.05 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1iw0 h GLU 24 Cb 0.58 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.66 1iw0 h GLU 24 CO 0.03 0.51 0.00 0.72 -1.00 0.00 0.00 179.01 179.27 1iw0 n HIS 25 N -4.70 0.30 -1.72 4.33 8.25 -0.78 -4.09 115.22 116.81 1iw0 n HIS 25 Ca 0.22 -0.15 -0.42 0.00 -0.26 0.00 0.00 57.72 57.10 1iw0 n HIS 25 Cb 0.53 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.63 1iw0 n HIS 25 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1iw0 n SER 26 N 0.57 3.18 -0.14 0.41 2.88 -0.79 -4.80 113.62 114.94 1iw0 n SER 26 Ca 0.16 1.19 -0.08 0.00 -1.33 0.00 0.00 58.87 58.81 1iw0 n SER 26 Cb 0.38 -1.53 0.00 0.00 -0.75 0.00 0.00 64.21 62.31 1iw0 n SER 26 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 1iw0 h THR 27 N 2.85 1.15 0.36 2.46 2.02 -1.91 0.15 112.91 119.99 1iw0 h THR 27 Ca -0.47 -0.36 -0.02 0.00 0.77 0.00 0.00 66.41 66.33 1iw0 h THR 27 Cb 1.26 0.63 0.00 0.00 -1.74 0.00 0.00 68.15 68.30 1iw0 h THR 27 CO 0.68 0.15 -0.17 0.15 0.37 0.00 0.00 175.52 176.69 1iw0 h PHE 28 N 0.55 -0.45 -0.31 3.16 3.57 -1.90 -0.34 116.94 121.22 1iw0 h PHE 28 Ca 0.15 -0.01 -0.15 0.00 3.53 0.00 0.00 57.97 61.49 1iw0 h PHE 28 Cb 0.03 0.15 -0.01 0.00 2.79 0.00 0.00 35.95 38.91 1iw0 h PHE 28 CO -0.03 -0.24 -0.40 1.98 -2.23 0.00 0.00 178.31 177.40 1iw0 h MET 29 N -0.56 0.76 0.16 1.11 4.05 -1.84 -0.69 114.93 117.92 1iw0 h MET 29 Ca -0.05 -0.39 0.00 0.00 -0.28 0.00 0.00 59.70 58.98 1iw0 h MET 29 Cb 0.42 0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.22 1iw0 h MET 29 CO 0.08 1.02 -0.13 1.03 0.23 0.00 0.00 176.91 179.14 1iw0 h SER 30 N 0.62 -0.35 -0.91 1.39 0.87 -0.71 -0.61 113.55 113.85 1iw0 h SER 30 Ca 0.05 0.03 0.03 0.00 -1.23 0.00 0.00 61.79 60.67 1iw0 h SER 30 Cb 0.95 0.12 -0.05 0.00 -0.44 0.00 0.00 62.40 62.98 1iw0 h SER 30 CO 0.09 -0.21 0.59 0.44 -0.53 0.00 0.00 176.83 177.21 1iw0 h ASP 31 N -0.31 1.00 0.03 6.23 3.32 -0.91 -1.44 116.42 124.35 1iw0 h ASP 31 Ca -0.00 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.03 1iw0 h ASP 31 Cb 0.28 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.60 1iw0 h ASP 31 CO -0.02 0.70 -0.01 0.25 -1.72 0.00 0.00 179.24 178.44 1iw0 h LEU 32 N 1.18 -0.03 -1.22 1.55 5.85 -0.84 -0.62 115.31 121.16 1iw0 h LEU 32 Ca 0.35 -0.08 -0.04 0.00 0.84 0.00 0.00 57.88 58.95 1iw0 h LEU 32 Cb -0.05 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 40.98 1iw0 h LEU 32 CO -0.10 0.06 -0.20 -0.07 -0.34 0.00 0.00 178.44 177.79 1iw0 h LEU 33 N -0.12 0.00 -0.16 2.25 3.38 -0.87 -2.72 115.31 117.07 1iw0 h LEU 33 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1iw0 h LEU 33 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1iw0 h LEU 33 CO 0.01 0.20 -0.08 0.29 0.09 0.00 0.00 178.44 178.94 1iw0 n LYS 34 N -3.40 0.61 -0.51 1.13 5.02 -0.56 -4.94 118.16 115.52 1iw0 n LYS 34 Ca -0.00 -0.16 0.00 0.00 -2.02 0.00 0.00 58.31 56.13 1iw0 n LYS 34 Cb 0.40 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.91 1iw0 n LYS 34 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1iw0 n GLY 35 N 1.28 0.74 0.01 0.72 0.00 -1.02 -4.97 105.19 101.95 1iw0 n GLY 35 Ca 0.14 -0.02 0.13 0.00 0.00 0.00 0.00 46.02 46.27 1iw0 n GLY 35 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1iw0 n ARG 36 N -2.51 0.04 0.00 1.61 1.74 -0.26 -4.82 116.66 112.46 1iw0 n ARG 36 Ca 0.00 0.02 0.00 0.00 -0.77 0.00 0.00 57.85 57.10 1iw0 n ARG 36 Cb 0.00 -1.53 0.00 0.00 -1.02 0.00 0.00 32.46 29.91 1iw0 n ARG 36 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1iw0 n LEU 37 N -1.58 0.00 0.00 0.55 4.77 -1.23 -4.97 117.00 114.54 1iw0 n LEU 37 Ca 0.06 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 56.06 1iw0 n LEU 37 Cb 0.35 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.45 1iw0 n LEU 37 CO 0.32 0.00 0.84 0.61 -1.33 0.00 0.00 177.39 177.83 1iw0 n GLY 38 N 5.00 0.35 0.24 -0.72 0.00 -1.26 -5.01 105.19 103.80 1iw0 n GLY 38 Ca 0.00 -1.01 0.06 0.00 0.00 0.00 0.00 46.02 45.07 1iw0 n GLY 38 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1iw0 h VAL 39 N 1.78 1.09 -0.29 1.61 3.04 -1.97 -2.17 116.25 119.33 1iw0 h VAL 39 Ca -0.17 -0.39 0.03 0.00 -1.01 0.00 0.00 66.70 65.16 1iw0 h VAL 39 Cb 0.92 1.15 -0.03 0.00 -2.01 0.00 0.00 31.29 31.32 1iw0 h VAL 39 CO 0.25 0.12 0.08 0.00 -1.01 0.00 0.00 177.57 177.01 1iw0 h ALA 40 N 1.86 0.32 -0.29 3.17 0.00 -1.98 0.29 119.26 122.62 1iw0 h ALA 40 Ca 0.01 0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.83 1iw0 h ALA 40 Cb 0.19 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1iw0 h ALA 40 CO 0.01 -0.33 -0.39 0.93 0.00 0.00 0.00 179.25 179.48 1iw0 h GLU 41 N 0.20 0.69 -0.85 0.00 3.07 -1.82 -0.58 114.58 115.29 1iw0 h GLU 41 Ca 0.13 -0.35 0.01 0.00 -0.50 0.00 0.00 59.36 58.65 1iw0 h GLU 41 Cb 0.12 0.01 -0.04 0.00 -0.84 0.00 0.00 28.75 27.99 1iw0 h GLU 41 CO -0.15 0.96 0.56 0.35 -1.40 0.00 0.00 179.01 179.33 1iw0 h PHE 42 N 0.57 1.06 -0.51 4.33 3.57 -0.99 -1.28 116.94 123.68 1iw0 h PHE 42 Ca 0.05 0.03 -0.10 0.00 3.53 0.00 0.00 57.97 61.48 1iw0 h PHE 42 Cb 0.92 -0.36 -0.02 0.00 2.79 0.00 0.00 35.95 39.28 1iw0 h PHE 42 CO 0.04 0.66 -0.06 1.15 -2.23 0.00 0.00 178.31 177.87 1iw0 h THR 43 N 1.13 1.26 -0.70 4.41 2.02 0.29 -1.31 112.91 120.01 1iw0 h THR 43 Ca 0.32 -1.17 -0.00 0.00 0.77 0.00 0.00 66.41 66.33 1iw0 h THR 43 Cb -0.11 0.93 -0.03 0.00 -1.74 0.00 0.00 68.15 67.20 1iw0 h THR 43 CO -0.08 0.41 0.44 0.03 0.37 0.00 0.00 175.52 176.69 1iw0 h ARG 44 N 0.83 0.94 -0.23 6.66 2.47 -0.84 -0.13 114.38 124.09 1iw0 h ARG 44 Ca 0.14 -0.08 0.02 0.00 -1.26 0.00 0.00 59.98 58.81 1iw0 h ARG 44 Cb 0.58 -0.20 -0.02 0.00 -1.65 0.00 0.00 29.97 28.68 1iw0 h ARG 44 CO 0.04 0.65 0.10 1.25 0.56 0.00 0.00 179.97 182.56 1iw0 h LEU 45 N 0.95 0.13 -1.27 3.04 5.85 -0.88 -2.07 115.31 121.06 1iw0 h LEU 45 Ca 0.25 0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.91 1iw0 h LEU 45 Cb -0.06 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 40.96 1iw0 h LEU 45 CO -0.05 0.11 -0.34 1.56 -0.34 0.00 0.00 178.44 179.38 1iw0 h GLN 46 N 0.21 0.05 -0.16 1.25 1.08 -0.81 0.58 115.11 117.31 1iw0 h GLN 46 Ca 0.10 -0.02 -0.02 0.00 -1.45 0.00 0.00 58.65 57.26 1iw0 h GLN 46 Cb 0.04 -0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.47 1iw0 h GLN 46 CO -0.08 0.38 0.02 0.93 -0.95 0.00 0.00 178.83 179.12 1iw0 h GLU 47 N 0.04 0.27 -0.71 1.46 5.08 -0.76 0.23 114.58 120.19 1iw0 h GLU 47 Ca 0.00 -0.08 -0.02 0.00 -1.00 0.00 0.00 59.36 58.27 1iw0 h GLU 47 Cb 0.62 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.80 1iw0 h GLU 47 CO 0.05 0.46 0.39 1.96 -1.00 0.00 0.00 179.01 180.87 1iw0 h GLN 48 N 0.04 1.00 -0.97 2.33 1.08 -0.99 -2.50 115.11 115.10 1iw0 h GLN 48 Ca 0.05 -0.12 0.01 0.00 -1.45 0.00 0.00 58.65 57.14 1iw0 h GLN 48 Cb 0.33 -0.19 -0.05 0.00 -0.05 0.00 0.00 27.48 27.52 1iw0 h GLN 48 CO 0.00 0.75 0.64 0.00 -0.95 0.00 0.00 178.83 179.27 1iw0 h ALA 49 N 1.19 1.23 -0.97 3.87 0.00 -0.72 -1.78 119.26 122.09 1iw0 h ALA 49 Ca 0.25 -0.07 0.05 0.00 0.00 0.00 0.00 54.91 55.14 1iw0 h ALA 49 Cb 0.04 -0.39 -0.06 0.00 0.00 0.00 0.00 17.79 17.38 1iw0 h ALA 49 CO -0.04 0.62 0.62 2.35 0.00 0.00 0.00 179.25 182.81 1iw0 h TRP 50 N 1.31 1.17 0.14 0.00 7.01 -0.51 0.20 115.95 125.27 1iw0 h TRP 50 Ca 0.35 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.38 1iw0 h TRP 50 Cb -0.15 -0.38 0.00 0.00 -2.10 0.00 0.00 29.16 26.53 1iw0 h TRP 50 CO -0.00 0.64 -0.07 -0.07 -2.79 0.00 0.00 178.44 176.15 1iw0 h LEU 51 N 1.17 -0.16 -0.36 0.65 3.38 -1.05 -1.00 115.31 117.95 1iw0 h LEU 51 Ca 0.40 -0.05 -0.18 0.00 0.09 0.00 0.00 57.88 58.13 1iw0 h LEU 51 Cb 0.08 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 1iw0 h LEU 51 CO -0.15 -0.05 -0.83 2.19 0.09 0.00 0.00 178.44 179.69 1iw0 h PHE 52 N -0.26 0.18 -0.35 1.13 -5.15 -0.99 -2.77 116.94 108.73 1iw0 h PHE 52 Ca -0.02 -0.10 -0.09 0.00 -0.20 0.00 0.00 57.97 57.56 1iw0 h PHE 52 Cb 0.21 -0.02 -0.02 0.00 0.22 0.00 0.00 35.95 36.34 1iw0 h PHE 52 CO -0.05 0.89 -0.16 1.88 -2.00 0.00 0.00 178.31 178.87 1iw0 h TYR 53 N 0.07 0.71 -0.34 6.09 0.05 -0.63 0.24 116.97 123.16 1iw0 h TYR 53 Ca -0.03 -0.13 0.02 0.00 0.05 0.00 0.00 58.73 58.63 1iw0 h TYR 53 Cb 1.44 -0.18 -0.02 0.00 1.01 0.00 0.00 36.73 38.98 1iw0 h TYR 53 CO 0.02 0.77 0.19 1.15 -1.05 0.00 0.00 178.16 179.23 1iw0 h THR 54 N 0.58 1.02 -0.33 -2.88 2.02 -1.07 -0.11 112.91 112.14 1iw0 h THR 54 Ca 0.09 -0.13 -0.07 0.00 0.77 0.00 0.00 66.41 67.07 1iw0 h THR 54 Cb 0.61 0.60 -0.01 0.00 -1.74 0.00 0.00 68.15 67.61 1iw0 h THR 54 CO 0.04 0.07 -0.07 0.00 0.37 0.00 0.00 175.52 175.93 1iw0 h ALA 55 N 1.15 0.45 -0.76 6.16 0.00 -1.21 -2.66 119.26 122.40 1iw0 h ALA 55 Ca 0.13 -0.29 0.05 0.00 0.00 0.00 0.00 54.91 54.81 1iw0 h ALA 55 Cb 0.01 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 17.63 1iw0 h ALA 55 CO -0.07 0.28 0.46 1.25 0.00 0.00 0.00 179.25 181.17 1iw0 h LEU 56 N 0.41 0.71 -1.30 0.00 5.85 -0.33 -2.18 115.31 118.46 1iw0 h LEU 56 Ca 0.08 0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.77 1iw0 h LEU 56 Cb 0.57 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.46 1iw0 h LEU 56 CO 0.03 0.46 -0.23 -0.33 -0.34 0.00 0.00 178.44 178.04 1iw0 h GLU 57 N 0.85 0.00 -0.31 1.25 5.08 -0.88 0.42 114.58 120.99 1iw0 h GLU 57 Ca 0.33 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.56 1iw0 h GLU 57 Cb 0.14 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.39 1iw0 h GLU 57 CO -0.16 0.23 -0.32 1.96 -1.00 0.00 0.00 179.01 179.72 1iw0 h GLN 58 N 0.00 0.77 -0.56 2.33 4.20 -1.06 -0.91 115.11 119.88 1iw0 h GLN 58 Ca -0.00 -0.41 -0.11 0.00 0.06 0.00 0.00 58.65 58.19 1iw0 h GLN 58 Cb 0.66 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.44 1iw0 h GLN 58 CO 0.03 1.04 -0.09 0.00 -0.67 0.00 0.00 178.83 179.14 1iw0 h ALA 59 N 0.72 0.77 -0.56 3.87 0.00 -0.79 -1.60 119.26 121.68 1iw0 h ALA 59 Ca 0.05 -0.35 0.01 0.00 0.00 0.00 0.00 54.91 54.62 1iw0 h ALA 59 Cb 0.90 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 1iw0 h ALA 59 CO 0.08 0.68 0.37 0.28 0.00 0.00 0.00 179.25 180.66 1iw0 h VAL 60 N 0.94 1.14 -0.73 0.00 2.07 -0.89 -0.81 116.25 117.97 1iw0 h VAL 60 Ca 0.15 -0.26 -0.00 0.00 0.82 0.00 0.00 66.70 67.41 1iw0 h VAL 60 Cb 0.66 0.32 -0.04 0.00 -1.52 0.00 0.00 31.29 30.71 1iw0 h VAL 60 CO 0.05 0.14 0.44 0.44 0.02 0.00 0.00 177.57 178.66 1iw0 h ASP 61 N 0.76 0.87 -0.21 0.57 3.32 -0.87 0.14 116.42 120.99 1iw0 h ASP 61 Ca 0.21 -0.06 -0.03 0.00 0.02 0.00 0.00 57.03 57.16 1iw0 h ASP 61 Cb -0.09 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.24 1iw0 h ASP 61 CO -0.05 0.68 -0.00 0.00 -1.72 0.00 0.00 179.24 178.15 1iw0 h ALA 62 N 1.23 0.28 -0.57 3.45 0.00 -0.96 -2.08 119.26 120.61 1iw0 h ALA 62 Ca 0.26 -0.21 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 1iw0 h ALA 62 Cb -0.04 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1iw0 h ALA 62 CO -0.05 0.01 -0.07 0.28 0.00 0.00 0.00 179.25 179.42 1iw0 h VAL 63 N 0.13 1.27 -0.82 0.00 2.07 -0.82 -2.09 116.25 115.99 1iw0 h VAL 63 Ca 0.06 -1.23 0.06 0.00 0.82 0.00 0.00 66.70 66.41 1iw0 h VAL 63 Cb 0.40 0.90 -0.06 0.00 -1.52 0.00 0.00 31.29 31.01 1iw0 h VAL 63 CO 0.01 0.44 0.50 -0.09 0.02 0.00 0.00 177.57 178.45 1iw0 h ARG 64 N 0.94 0.89 -0.08 1.57 2.43 -0.73 -2.24 114.38 117.17 1iw0 h ARG 64 Ca 0.15 -0.05 -0.08 0.00 -0.81 0.00 0.00 59.98 59.19 1iw0 h ARG 64 Cb 0.64 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.97 1iw0 h ARG 64 CO 0.04 0.59 -0.33 0.00 -1.51 0.00 0.00 179.97 178.76 1iw0 h ALA 65 N 1.40 1.31 0.00 2.80 0.00 -0.88 -2.18 119.26 121.71 1iw0 h ALA 65 Ca 0.36 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1iw0 h ALA 65 Cb 0.18 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1iw0 h ALA 65 CO -0.18 0.48 0.00 0.66 0.00 0.00 0.00 179.25 180.22 1iw0 h SER 66 N 0.13 0.00 0.00 0.00 4.64 -0.77 -3.46 113.55 114.09 1iw0 h SER 66 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1iw0 h SER 66 Cb 0.65 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.74 1iw0 h SER 66 CO 0.05 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.62 1iw0 n GLY 67 N -0.38 0.88 3.70 -0.77 0.00 -0.82 -5.08 105.19 102.72 1iw0 n GLY 67 Ca 0.00 -0.06 -0.35 0.00 0.00 0.00 0.00 46.02 45.61 1iw0 n GLY 67 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1iw0 s PHE 68 N -2.00 3.36 -1.41 1.61 5.36 -1.18 -4.54 117.98 119.18 1iw0 s PHE 68 Ca 0.00 0.24 -0.08 0.00 -0.96 0.00 0.00 56.93 56.13 1iw0 s PHE 68 Cb 0.00 -2.09 0.05 0.00 -0.34 0.00 0.00 43.02 40.63 1iw0 s PHE 68 CO 0.00 0.29 0.59 0.00 -1.46 0.00 0.00 175.22 174.64 1iw0 n ALA 69 N 3.32 -1.05 -0.19 11.12 0.00 -1.26 -4.37 120.51 128.07 1iw0 n ALA 69 Ca -0.17 0.18 -0.03 0.00 0.00 0.00 0.00 53.44 53.42 1iw0 n ALA 69 Cb 0.52 -3.41 0.07 0.00 0.00 0.00 0.00 19.45 16.64 1iw0 n ALA 69 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1iw0 h GLU 70 N -1.26 0.55 0.00 0.00 5.08 -1.89 -1.04 114.58 116.02 1iw0 h GLU 70 Ca -0.48 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 57.81 1iw0 h GLU 70 Cb 1.33 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 30.45 1iw0 h GLU 70 CO 0.56 0.37 -0.17 0.66 -1.00 0.00 0.00 179.01 179.43 1iw0 h SER 71 N 0.57 0.00 -0.00 1.42 4.64 -1.97 -2.58 113.55 115.62 1iw0 h SER 71 Ca 0.26 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 61.32 1iw0 h SER 71 Cb 0.16 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.27 1iw0 h SER 71 CO -0.17 0.17 -1.00 0.25 -0.87 0.00 0.00 176.83 175.20 1iw0 h LEU 72 N 0.00 0.89 -4.99 5.97 5.85 -1.59 -3.37 115.31 118.06 1iw0 h LEU 72 Ca -0.00 -0.74 -0.64 0.00 0.84 0.00 0.00 57.88 57.34 1iw0 h LEU 72 Cb 0.50 -0.27 0.01 0.00 0.37 0.00 0.00 40.66 41.26 1iw0 h LEU 72 CO 0.02 1.51 3.40 0.18 -0.34 0.00 0.00 178.44 183.22 1iw0 n LEU 73 N -3.89 8.46 -4.66 2.25 4.77 -0.91 -4.94 117.00 118.08 1iw0 n LEU 73 Ca -0.11 -4.34 -0.42 0.00 -0.03 0.00 0.00 56.01 51.11 1iw0 n LEU 73 Cb 0.86 -1.53 -0.03 0.00 -2.33 0.00 0.00 43.42 40.40 1iw0 n LEU 73 CO 0.55 2.05 1.42 -0.62 -1.33 0.00 0.00 177.39 179.46 1iw0 s ASP 74 N 1.96 6.59 0.61 -1.43 2.15 -1.26 -4.88 116.67 120.42 1iw0 s ASP 74 Ca 0.68 2.28 0.37 0.00 0.43 0.00 0.00 52.55 56.31 1iw0 s ASP 74 Cb 0.19 -2.53 2.01 0.00 -0.30 0.00 0.00 42.92 42.29 1iw0 s ASP 74 CO -0.06 -0.98 2.25 -0.65 -0.17 0.00 0.00 175.17 175.56 1iw0 h PRO 75 N 9.88 0.00 -0.10 4.34 0.11 -1.94 -1.30 132.00 143.00 1iw0 h PRO 75 Ca -0.41 0.00 0.03 0.00 0.11 0.00 0.00 66.00 65.73 1iw0 h PRO 75 Cb 1.19 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 1iw0 h PRO 75 CO 0.95 0.02 0.14 0.00 -0.21 0.00 0.00 178.00 178.90 1iw0 h ALA 76 N 1.98 1.56 0.00 -0.75 0.00 -1.94 -1.16 119.26 118.95 1iw0 h ALA 76 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1iw0 h ALA 76 Cb 0.13 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1iw0 h ALA 76 CO 0.00 -0.19 0.00 -0.07 0.00 0.00 0.00 179.25 178.99 1iw0 h LEU 77 N 0.00 0.00 -9.28 0.00 3.38 -1.59 -3.46 115.31 104.36 1iw0 h LEU 77 Ca 0.05 0.00 -0.67 0.00 0.09 0.00 0.00 57.88 57.34 1iw0 h LEU 77 Cb 0.32 0.00 0.05 0.00 0.09 0.00 0.00 40.66 41.12 1iw0 h LEU 77 CO -0.00 0.00 0.60 0.59 0.09 0.00 0.00 178.44 179.72 1iw0 n ASN 78 N -2.60 2.04 -0.00 -0.43 5.03 -0.44 -4.89 115.26 113.96 1iw0 n ASN 78 Ca 0.03 1.10 0.06 0.00 0.87 0.00 0.00 54.58 56.64 1iw0 n ASN 78 Cb 0.34 -1.22 -0.09 0.00 -1.02 0.00 0.00 39.78 37.79 1iw0 n ASN 78 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 1iw0 n ARG 79 N 3.27 0.85 -0.18 3.52 5.12 -1.26 -4.74 116.66 123.24 1iw0 n ARG 79 Ca 0.20 -0.09 -0.06 0.00 -1.93 0.00 0.00 57.85 55.96 1iw0 n ARG 79 Cb 0.20 -1.25 0.03 0.00 -1.16 0.00 0.00 32.46 30.27 1iw0 n ARG 79 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1iw0 h ALA 80 N 1.23 0.68 -0.25 7.54 0.00 -1.90 0.88 119.26 127.45 1iw0 h ALA 80 Ca 0.00 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 1iw0 h ALA 80 Cb 0.51 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 1iw0 h ALA 80 CO 0.00 0.11 -0.21 0.93 0.00 0.00 0.00 179.25 180.08 1iw0 h GLU 81 N 0.71 0.58 -0.66 0.00 3.07 -1.99 -0.99 114.58 115.31 1iw0 h GLU 81 Ca 0.20 -0.29 0.00 0.00 -0.50 0.00 0.00 59.36 58.77 1iw0 h GLU 81 Cb -0.07 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 27.82 1iw0 h GLU 81 CO -0.05 0.88 0.43 0.28 -1.40 0.00 0.00 179.01 179.15 1iw0 h VAL 82 N 0.30 1.17 -0.82 3.13 2.07 -1.80 -2.12 116.25 118.18 1iw0 h VAL 82 Ca 0.04 -0.33 0.03 0.00 0.82 0.00 0.00 66.70 67.26 1iw0 h VAL 82 Cb 0.75 0.21 -0.05 0.00 -1.52 0.00 0.00 31.29 30.69 1iw0 h VAL 82 CO 0.05 0.17 0.53 -0.07 0.02 0.00 0.00 177.57 178.27 1iw0 h LEU 83 N 0.89 0.88 -0.83 2.57 3.38 -0.61 -0.20 115.31 121.40 1iw0 h LEU 83 Ca 0.24 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.21 1iw0 h LEU 83 Cb -0.09 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.41 1iw0 h LEU 83 CO -0.05 0.62 0.54 0.00 0.09 0.00 0.00 178.44 179.64 1iw0 h ALA 84 N 1.33 1.06 -0.64 1.53 0.00 -0.77 0.74 119.26 122.51 1iw0 h ALA 84 Ca 0.32 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 55.10 1iw0 h ALA 84 Cb -0.03 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.41 1iw0 h ALA 84 CO -0.10 0.44 0.10 0.00 0.00 0.00 0.00 179.25 179.68 1iw0 h ARG 85 N 1.10 1.06 -0.71 0.00 3.08 -0.77 -0.68 114.38 117.47 1iw0 h ARG 85 Ca 0.31 -0.29 0.02 0.00 0.07 0.00 0.00 59.98 60.09 1iw0 h ARG 85 Cb -0.10 -0.12 -0.04 0.00 0.08 0.00 0.00 29.97 29.79 1iw0 h ARG 85 CO -0.08 0.98 0.46 -0.44 -1.07 0.00 0.00 179.97 179.82 1iw0 h ASP 86 N 0.97 0.77 -0.10 7.04 3.45 -0.30 -2.27 116.42 125.99 1iw0 h ASP 86 Ca 0.19 -0.01 -0.10 0.00 0.43 0.00 0.00 57.03 57.54 1iw0 h ASP 86 Cb 0.44 -0.18 -0.01 0.00 -0.56 0.00 0.00 39.33 39.02 1iw0 h ASP 86 CO 0.01 0.54 -0.25 -0.07 -1.57 0.00 0.00 179.24 177.91 1iw0 h LEU 87 N 0.91 0.54 -0.84 1.55 3.38 -0.55 0.15 115.31 120.46 1iw0 h LEU 87 Ca 0.27 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1iw0 h LEU 87 Cb -0.04 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.52 1iw0 h LEU 87 CO -0.08 0.78 0.54 0.44 0.09 0.00 0.00 178.44 180.20 1iw0 h ASP 88 N 0.47 0.98 -0.06 -0.43 3.32 -0.74 -0.08 116.42 119.89 1iw0 h ASP 88 Ca 0.07 -0.04 -0.03 0.00 0.02 0.00 0.00 57.03 57.05 1iw0 h ASP 88 Cb 0.68 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 39.99 1iw0 h ASP 88 CO 0.05 0.73 -0.08 0.11 -1.72 0.00 0.00 179.24 178.33 1iw0 h LYS 89 N 1.14 0.15 -0.83 3.56 1.57 -0.84 -0.49 116.57 120.82 1iw0 h LYS 89 Ca 0.30 -0.09 -0.02 0.00 -1.87 0.00 0.00 60.65 58.98 1iw0 h LYS 89 Cb -0.10 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.18 1iw0 h LYS 89 CO -0.06 0.63 0.45 -0.07 -0.57 0.00 0.00 179.45 179.83 1iw0 h LEU 90 N -0.32 1.04 0.00 2.94 3.38 -0.55 -3.06 115.31 118.75 1iw0 h LEU 90 Ca 0.01 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1iw0 h LEU 90 Cb 0.62 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1iw0 h LEU 90 CO 0.02 0.84 -0.83 0.59 0.09 0.00 0.00 178.44 179.15 1iw0 n ASN 91 N -4.34 0.67 0.00 -0.43 3.02 -0.06 -4.98 115.26 109.14 1iw0 n ASN 91 Ca 0.09 -0.41 0.00 0.00 -0.03 0.00 0.00 54.58 54.22 1iw0 n ASN 91 Cb 0.10 0.65 0.00 0.00 -0.61 0.00 0.00 39.78 39.92 1iw0 n ASN 91 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1iw0 n GLY 92 N 1.45 1.74 3.35 7.41 0.00 -0.23 -4.95 105.19 113.96 1iw0 n GLY 92 Ca 0.04 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.01 1iw0 n GLY 92 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1iw0 n SER 93 N 0.00 -1.77 -1.20 1.61 3.41 -1.01 -4.95 113.62 109.72 1iw0 n SER 93 Ca 0.00 -2.08 0.07 0.00 -0.26 0.00 0.00 58.87 56.59 1iw0 n SER 93 Cb 0.00 2.91 0.25 0.00 -0.26 0.00 0.00 64.21 67.11 1iw0 n SER 93 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1iw0 n SER 94 N -1.33 3.50 0.30 4.04 3.41 -1.26 -4.36 113.62 117.92 1iw0 n SER 94 Ca -0.05 -2.32 0.20 0.00 -0.26 0.00 0.00 58.87 56.44 1iw0 n SER 94 Cb 0.52 -0.48 0.92 0.00 -0.26 0.00 0.00 64.21 64.90 1iw0 n SER 94 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1iw0 h GLU 95 N 2.88 0.00 -0.29 4.33 4.39 -1.95 -2.82 114.58 121.12 1iw0 h GLU 95 Ca 0.00 0.00 0.06 0.00 0.34 0.00 0.00 59.36 59.76 1iw0 h GLU 95 Cb 1.10 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.73 1iw0 h GLU 95 CO 0.17 0.01 0.20 0.11 -1.16 0.00 0.00 179.01 178.34 1iw0 h TRP 96 N 0.00 0.12 -0.77 4.33 5.08 -1.95 -2.84 115.95 119.93 1iw0 h TRP 96 Ca -0.00 0.00 0.13 0.00 1.08 0.00 0.00 58.89 60.10 1iw0 h TRP 96 Cb 0.29 -0.04 -0.05 0.00 -3.00 0.00 0.00 29.16 26.35 1iw0 h TRP 96 CO 0.00 0.07 0.51 0.00 -1.28 0.00 0.00 178.44 177.74 1iw0 h ARG 97 N 0.12 0.52 0.00 0.12 3.08 -1.86 0.73 114.38 117.09 1iw0 h ARG 97 Ca 0.13 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.15 1iw0 h ARG 97 Cb 0.37 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.30 1iw0 h ARG 97 CO -0.02 0.35 -1.35 0.43 -1.07 0.00 0.00 179.97 178.31 1iw0 n SER 98 N -4.50 0.49 0.04 7.04 7.64 -1.08 -4.29 113.62 118.96 1iw0 n SER 98 Ca 0.14 -0.23 -0.20 0.00 1.01 0.00 0.00 58.87 59.60 1iw0 n SER 98 Cb 0.45 1.21 -0.14 0.00 -1.01 0.00 0.00 64.21 64.72 1iw0 n SER 98 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 1iw0 h ARG 99 N 0.00 0.28 -6.98 1.43 2.43 -1.21 -3.48 114.38 106.85 1iw0 h ARG 99 Ca 0.00 -0.48 -0.53 0.00 -0.81 0.00 0.00 59.98 58.16 1iw0 h ARG 99 Cb 0.81 0.18 0.09 0.00 -0.42 0.00 0.00 29.97 30.62 1iw0 h ARG 99 CO 0.00 1.16 0.58 0.96 -1.51 0.00 0.00 179.97 181.16 1iw0 s ILE 100 N -2.58 2.63 0.03 1.20 -4.36 0.17 -5.03 121.20 113.25 1iw0 s ILE 100 Ca -0.15 0.53 0.04 0.00 -0.26 0.00 0.00 60.65 60.80 1iw0 s ILE 100 Cb 0.06 -3.29 -0.02 0.00 1.25 0.00 0.00 42.46 40.46 1iw0 s ILE 100 CO 0.82 0.05 -0.12 0.42 0.24 0.00 0.00 174.94 176.35 1iw0 s THR 101 N -1.33 0.97 0.12 8.37 -4.23 -1.26 -5.02 115.64 113.26 1iw0 s THR 101 Ca 0.61 -0.86 -0.30 0.00 -1.18 0.00 0.00 61.69 59.95 1iw0 s THR 101 Cb -0.36 -0.88 -0.07 0.00 1.34 0.00 0.00 72.50 72.53 1iw0 s THR 101 CO 0.45 0.02 1.24 0.00 -0.54 0.00 0.00 174.62 175.79 1iw0 s ALA 102 N -0.75 3.45 0.87 3.99 0.00 -1.26 -4.96 121.76 123.11 1iw0 s ALA 102 Ca 0.01 0.95 -0.11 0.00 0.00 0.00 0.00 51.96 52.80 1iw0 s ALA 102 Cb -0.07 -3.45 0.11 0.00 0.00 0.00 0.00 23.12 19.71 1iw0 s ALA 102 CO 0.01 -0.45 1.09 -1.54 0.00 0.00 0.00 175.76 174.87 1iw0 s SER 103 N 0.68 3.70 0.33 0.00 1.04 -1.26 -4.73 113.70 113.47 1iw0 s SER 103 Ca 0.57 1.51 0.06 0.00 0.48 0.00 0.00 55.95 58.57 1iw0 s SER 103 Cb -0.32 -2.20 0.71 0.00 0.10 0.00 0.00 66.02 64.32 1iw0 s SER 103 CO 0.33 -2.50 1.87 -0.65 0.98 0.00 0.00 173.24 173.27 1iw0 h PRO 104 N -1.45 0.79 -0.59 4.02 0.11 -1.97 0.43 132.00 133.33 1iw0 h PRO 104 Ca -0.48 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.57 1iw0 h PRO 104 Cb 1.28 -0.18 -0.03 0.00 0.11 0.00 0.00 31.00 32.18 1iw0 h PRO 104 CO 0.55 0.52 0.33 0.00 -0.21 0.00 0.00 178.00 179.19 1iw0 h ALA 105 N 1.57 0.76 -0.14 -0.75 0.00 -1.91 -2.55 119.26 116.24 1iw0 h ALA 105 Ca 0.44 -0.09 -0.13 0.00 0.00 0.00 0.00 54.91 55.13 1iw0 h ALA 105 Cb 0.57 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1iw0 h ALA 105 CO -0.21 0.26 -0.47 0.28 0.00 0.00 0.00 179.25 179.12 1iw0 h VAL 106 N 0.80 1.33 -0.45 0.00 2.07 -1.56 -1.78 116.25 116.66 1iw0 h VAL 106 Ca 0.21 -1.67 -0.01 0.00 0.82 0.00 0.00 66.70 66.05 1iw0 h VAL 106 Cb 0.03 1.74 -0.02 0.00 -1.52 0.00 0.00 31.29 31.51 1iw0 h VAL 106 CO -0.04 0.51 0.25 0.40 0.02 0.00 0.00 177.57 178.72 1iw0 h ILE 107 N 0.28 1.15 -0.52 4.57 2.04 -0.59 0.21 117.51 124.65 1iw0 h ILE 107 Ca 0.02 -0.37 -0.06 0.00 1.00 0.00 0.00 64.86 65.44 1iw0 h ILE 107 Cb 0.93 0.59 -0.02 0.00 -0.74 0.00 0.00 36.82 37.59 1iw0 h ILE 107 CO 0.08 0.16 0.10 0.44 0.00 0.00 0.00 178.15 178.92 1iw0 h ASP 108 N 0.59 0.82 0.11 1.72 3.45 -1.28 -0.27 116.42 121.56 1iw0 h ASP 108 Ca 0.16 -0.25 -0.01 0.00 0.43 0.00 0.00 57.03 57.36 1iw0 h ASP 108 Cb 0.03 -0.22 0.00 0.00 -0.56 0.00 0.00 39.33 38.58 1iw0 h ASP 108 CO -0.03 0.86 -0.05 0.22 -1.57 0.00 0.00 179.24 178.67 1iw0 h TYR 109 N 0.74 -0.14 -0.71 4.55 3.20 -1.03 -1.73 116.97 121.86 1iw0 h TYR 109 Ca 0.16 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 62.04 1iw0 h TYR 109 Cb 0.38 0.05 -0.04 0.00 1.54 0.00 0.00 36.73 38.66 1iw0 h TYR 109 CO 0.03 0.07 0.46 0.28 -1.64 0.00 0.00 178.16 177.35 1iw0 h VAL 110 N -0.33 1.14 -0.97 1.81 2.07 -0.57 -1.03 116.25 118.37 1iw0 h VAL 110 Ca -0.02 -0.31 0.03 0.00 0.82 0.00 0.00 66.70 67.22 1iw0 h VAL 110 Cb 0.27 0.15 -0.06 0.00 -1.52 0.00 0.00 31.29 30.13 1iw0 h VAL 110 CO 0.03 0.17 0.63 0.78 0.02 0.00 0.00 177.57 179.20 1iw0 h ASN 111 N 0.92 1.06 -0.44 0.57 2.35 -0.90 0.11 115.58 119.25 1iw0 h ASN 111 Ca 0.27 -0.01 -0.09 0.00 -0.55 0.00 0.00 56.30 55.92 1iw0 h ASN 111 Cb -0.05 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.06 1iw0 h ASN 111 CO -0.08 0.73 -0.09 -0.09 -1.65 0.00 0.00 177.43 176.24 1iw0 h ARG 112 N 1.23 0.84 -0.81 0.81 9.65 -0.82 -1.20 114.38 124.08 1iw0 h ARG 112 Ca 0.38 -0.31 -0.01 0.00 -1.10 0.00 0.00 59.98 58.93 1iw0 h ARG 112 Cb -0.01 -0.05 -0.04 0.00 -1.39 0.00 0.00 29.97 28.48 1iw0 h ARG 112 CO -0.12 0.94 0.45 -0.07 2.80 0.00 0.00 179.97 183.97 1iw0 h LEU 113 N 0.67 1.00 -0.78 3.80 3.38 -0.45 -0.42 115.31 122.51 1iw0 h LEU 113 Ca 0.11 -0.08 -0.09 0.00 0.09 0.00 0.00 57.88 57.91 1iw0 h LEU 113 Cb 0.63 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 1iw0 h LEU 113 CO 0.04 0.80 -0.09 -0.33 0.09 0.00 0.00 178.44 178.96 1iw0 h GLU 114 N 1.13 0.84 -0.31 1.13 5.08 -0.53 -0.58 114.58 121.33 1iw0 h GLU 114 Ca 0.29 -0.27 -0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1iw0 h GLU 114 Cb 0.02 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 1iw0 h GLU 114 CO -0.05 0.89 0.18 1.49 -1.00 0.00 0.00 179.01 180.53 1iw0 h GLU 115 N 0.76 0.43 -0.80 2.33 4.81 -0.69 -0.01 114.58 121.42 1iw0 h GLU 115 Ca 0.13 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.29 1iw0 h GLU 115 Cb 0.58 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 29.84 1iw0 h GLU 115 CO 0.04 0.35 0.42 0.82 -0.73 0.00 0.00 179.01 179.90 1iw0 h ILE 116 N 0.39 1.24 0.40 2.32 2.04 -0.86 0.55 117.51 123.59 1iw0 h ILE 116 Ca 0.11 -0.64 -0.02 0.00 1.00 0.00 0.00 64.86 65.32 1iw0 h ILE 116 Cb 0.04 0.20 0.00 0.00 -0.74 0.00 0.00 36.82 36.32 1iw0 h ILE 116 CO -0.02 0.28 -0.19 -0.09 0.00 0.00 0.00 178.15 178.13 1iw0 h ARG 117 N 1.11 -0.51 0.00 2.37 2.43 -0.90 0.13 114.38 119.01 1iw0 h ARG 117 Ca 0.28 0.04 -0.10 0.00 -0.81 0.00 0.00 59.98 59.38 1iw0 h ARG 117 Cb 0.07 0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.72 1iw0 h ARG 117 CO -0.04 -0.34 -0.49 -0.44 -1.51 0.00 0.00 179.97 177.15 1iw0 h ASP 118 N -0.54 0.00 1.03 -3.80 3.32 -0.81 -2.00 116.42 113.61 1iw0 h ASP 118 Ca -0.05 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.00 1iw0 h ASP 118 Cb 0.41 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.96 1iw0 h ASP 118 CO 0.09 0.49 -0.25 0.59 -1.72 0.00 0.00 179.24 178.44 1iw0 n ASN 119 N -3.78 0.52 -3.73 6.45 3.02 0.17 -4.94 115.26 112.96 1iw0 n ASN 119 Ca -0.01 0.30 -0.25 0.00 -0.03 0.00 0.00 54.58 54.58 1iw0 n ASN 119 Cb 0.53 -0.29 0.02 0.00 -0.61 0.00 0.00 39.78 39.44 1iw0 n ASN 119 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1iw0 n VAL 120 N -1.89 -4.87 -2.95 2.41 0.31 0.34 -4.88 118.33 106.80 1iw0 n VAL 120 Ca 0.05 -0.71 -0.44 0.00 -0.01 0.00 0.00 64.34 63.24 1iw0 n VAL 120 Cb 0.39 -3.85 -0.03 0.00 -0.91 0.00 0.00 33.84 29.44 1iw0 n VAL 120 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1iw0 s ASP 121 N -4.01 6.54 0.10 4.52 -1.08 -0.51 -4.92 116.67 117.31 1iw0 s ASP 121 Ca 0.19 -1.89 -0.27 0.00 -0.52 0.00 0.00 52.55 50.05 1iw0 s ASP 121 Cb -0.06 -2.39 -0.11 0.00 -1.46 0.00 0.00 42.92 38.90 1iw0 s ASP 121 CO 0.84 -1.10 1.66 1.23 0.52 0.00 0.00 175.17 178.33 1iw0 h GLY 122 N 10.39 -0.43 0.79 2.66 0.00 -1.89 -1.43 103.07 113.15 1iw0 h GLY 122 Ca 0.06 0.23 0.04 0.00 0.00 0.00 0.00 47.33 47.67 1iw0 h GLY 122 CO 1.10 -0.19 0.40 -2.55 0.00 0.00 0.00 176.54 175.29 1iw0 h PRO 123 N -0.43 0.74 -0.81 4.80 0.11 -1.91 -0.75 132.00 133.75 1iw0 h PRO 123 Ca 0.00 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 66.03 1iw0 h PRO 123 Cb 0.41 -0.17 -0.04 0.00 0.11 0.00 0.00 31.00 31.32 1iw0 h PRO 123 CO -0.06 0.49 0.35 0.00 -0.21 0.00 0.00 178.00 178.58 1iw0 h ALA 124 N 1.31 1.10 -0.29 -0.75 0.00 -1.84 -2.48 119.26 116.32 1iw0 h ALA 124 Ca 0.28 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 1iw0 h ALA 124 Cb 0.09 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1iw0 h ALA 124 CO -0.14 0.66 0.08 1.25 0.00 0.00 0.00 179.25 181.10 1iw0 h LEU 125 N 1.16 0.44 -1.02 0.00 7.12 -0.63 -2.48 115.31 119.91 1iw0 h LEU 125 Ca 0.27 -0.22 0.06 0.00 0.13 0.00 0.00 57.88 58.12 1iw0 h LEU 125 Cb 0.17 -0.12 -0.06 0.00 -0.53 0.00 0.00 40.66 40.12 1iw0 h LEU 125 CO -0.03 0.55 0.65 0.58 -0.13 0.00 0.00 178.44 180.06 1iw0 h VAL 126 N 0.31 1.11 -0.40 1.05 2.07 -0.94 0.66 116.25 120.12 1iw0 h VAL 126 Ca 0.09 -0.41 0.05 0.00 0.82 0.00 0.00 66.70 67.25 1iw0 h VAL 126 Cb 0.28 -0.19 -0.05 0.00 -1.52 0.00 0.00 31.29 29.81 1iw0 h VAL 126 CO -0.00 0.22 0.13 0.00 0.02 0.00 0.00 177.57 177.94 1iw0 h ALA 127 N 1.45 0.46 -0.34 1.67 0.00 -1.11 -1.02 119.26 120.37 1iw0 h ALA 127 Ca 0.42 0.06 -0.10 0.00 0.00 0.00 0.00 54.91 55.29 1iw0 h ALA 127 Cb 0.12 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1iw0 h ALA 127 CO -0.16 -0.27 -0.19 0.45 0.00 0.00 0.00 179.25 179.09 1iw0 h HIS 128 N 0.28 0.70 -0.21 0.00 -0.00 -0.83 -1.96 115.15 113.12 1iw0 h HIS 128 Ca 0.19 -0.14 -0.01 0.00 -0.00 0.00 0.00 60.37 60.41 1iw0 h HIS 128 Cb 0.18 -0.18 -0.01 0.00 -0.00 0.00 0.00 27.41 27.41 1iw0 h HIS 128 CO -0.16 0.78 0.11 1.25 -0.00 0.00 0.00 177.93 179.91 1iw0 h HIS 129 N 0.57 0.30 0.04 2.45 6.17 -0.50 -2.13 115.15 122.04 1iw0 h HIS 129 Ca 0.09 -0.01 -0.00 0.00 0.71 0.00 0.00 60.37 61.16 1iw0 h HIS 129 Cb 0.64 -0.09 0.00 0.00 2.52 0.00 0.00 27.41 30.47 1iw0 h HIS 129 CO 0.03 0.28 -0.02 -0.92 0.71 0.00 0.00 177.93 178.01 1iw0 h TYR 130 N 0.23 -0.05 -0.73 5.26 3.20 -1.06 0.93 116.97 124.74 1iw0 h TYR 130 Ca 0.07 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.94 1iw0 h TYR 130 Cb 0.09 0.02 -0.04 0.00 1.54 0.00 0.00 36.73 38.34 1iw0 h TYR 130 CO -0.03 0.01 0.46 0.28 -1.64 0.00 0.00 178.16 177.23 1iw0 h VAL 131 N -0.10 1.20 0.00 1.81 2.07 -1.25 -2.06 116.25 117.91 1iw0 h VAL 131 Ca -0.01 -0.40 0.00 0.00 0.82 0.00 0.00 66.70 67.11 1iw0 h VAL 131 Cb 0.09 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.02 1iw0 h VAL 131 CO 0.01 0.20 -0.08 0.03 0.02 0.00 0.00 177.57 177.75 1iw0 h ARG 132 N 0.99 0.00 -0.32 1.57 2.47 -1.38 -3.32 114.38 114.39 1iw0 h ARG 132 Ca 0.26 0.00 -0.13 0.00 -1.26 0.00 0.00 59.98 58.85 1iw0 h ARG 132 Cb -0.07 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.25 1iw0 h ARG 132 CO -0.05 0.00 -0.31 1.88 0.56 0.00 0.00 179.97 182.04 1iw0 h TYR 133 N -0.73 0.93 -0.23 3.04 0.05 -0.88 -0.15 116.97 118.99 1iw0 h TYR 133 Ca 0.00 -0.28 -0.08 0.00 0.05 0.00 0.00 58.73 58.43 1iw0 h TYR 133 Cb 0.08 -0.20 -0.01 0.00 1.01 0.00 0.00 36.73 37.61 1iw0 h TYR 133 CO -0.04 1.05 -0.19 1.25 -1.05 0.00 0.00 178.16 179.19 1iw0 h LEU 134 N 0.54 0.40 -0.47 3.88 5.85 -1.43 -0.53 115.31 123.55 1iw0 h LEU 134 Ca 0.05 -0.11 -0.03 0.00 0.84 0.00 0.00 57.88 58.63 1iw0 h LEU 134 Cb 0.89 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.79 1iw0 h LEU 134 CO 0.08 0.60 0.19 1.23 -0.34 0.00 0.00 178.44 180.20 1iw0 h GLY 135 N 0.94 0.75 0.99 3.75 0.00 -1.52 -0.38 103.07 107.61 1iw0 h GLY 135 Ca 0.06 -0.40 -0.03 0.00 0.00 0.00 0.00 47.33 46.96 1iw0 h GLY 135 CO 0.04 0.38 0.25 -0.55 0.00 0.00 0.00 176.54 176.66 1iw0 h ASP 136 N 0.62 0.78 -0.03 0.19 3.45 -0.48 -0.52 116.42 120.43 1iw0 h ASP 136 Ca 0.16 -0.15 -0.13 0.00 0.43 0.00 0.00 57.03 57.34 1iw0 h ASP 136 Cb 0.19 -0.20 -0.01 0.00 -0.56 0.00 0.00 39.33 38.74 1iw0 h ASP 136 CO -0.01 0.72 -0.38 -0.07 -1.57 0.00 0.00 179.24 177.92 1iw0 h LEU 137 N 0.79 0.56 0.05 1.55 3.38 -1.00 -1.72 115.31 118.92 1iw0 h LEU 137 Ca 0.20 -0.24 -0.25 0.00 0.09 0.00 0.00 57.88 57.67 1iw0 h LEU 137 Cb 0.16 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 1iw0 h LEU 137 CO -0.02 0.89 -1.35 0.28 0.09 0.00 0.00 178.44 178.32 1iw0 h SER 138 N 0.44 0.17 -0.00 -0.43 0.02 -0.91 -3.42 113.55 109.41 1iw0 h SER 138 Ca 0.04 -0.70 0.00 0.00 -0.84 0.00 0.00 61.79 60.29 1iw0 h SER 138 Cb 0.87 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.35 1iw0 h SER 138 CO 0.07 1.56 -0.10 0.61 -1.14 0.00 0.00 176.83 177.83 1iw0 n GLY 139 N 1.62 -0.33 0.32 -3.77 0.00 -0.22 -4.71 105.19 98.11 1iw0 n GLY 139 Ca -0.29 -0.16 0.02 0.00 0.00 0.00 0.00 46.02 45.59 1iw0 n GLY 139 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1iw0 h GLY 140 N 1.21 0.76 1.51 -0.02 0.00 -1.15 -2.12 103.07 103.26 1iw0 h GLY 140 Ca 0.00 -0.29 -0.03 0.00 0.00 0.00 0.00 47.33 47.01 1iw0 h GLY 140 CO 0.00 0.29 0.16 -1.61 0.00 0.00 0.00 176.54 175.38 1iw0 h GLN 141 N 0.73 0.64 -0.41 4.80 4.15 -1.84 0.17 115.11 123.33 1iw0 h GLN 141 Ca 0.19 -0.09 -0.04 0.00 0.77 0.00 0.00 58.65 59.48 1iw0 h GLN 141 Cb -0.06 -0.12 -0.02 0.00 0.21 0.00 0.00 27.48 27.50 1iw0 h GLN 141 CO -0.04 0.54 0.11 0.28 -1.93 0.00 0.00 178.83 177.79 1iw0 h VAL 142 N 0.63 1.23 -0.24 2.39 2.07 -1.73 -0.88 116.25 119.72 1iw0 h VAL 142 Ca 0.15 -0.78 -0.01 0.00 0.82 0.00 0.00 66.70 66.88 1iw0 h VAL 142 Cb 0.15 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 1iw0 h VAL 142 CO -0.01 0.27 0.11 0.40 0.02 0.00 0.00 177.57 178.36 1iw0 h ILE 143 N 0.53 1.15 -0.45 4.57 2.04 -1.26 -1.98 117.51 122.12 1iw0 h ILE 143 Ca 0.13 -0.46 0.02 0.00 1.00 0.00 0.00 64.86 65.56 1iw0 h ILE 143 Cb 0.31 1.02 -0.03 0.00 -0.74 0.00 0.00 36.82 37.37 1iw0 h ILE 143 CO 0.00 0.15 0.26 0.00 0.00 0.00 0.00 178.15 178.57 1iw0 h ALA 144 N 0.96 0.58 -0.79 1.87 0.00 -0.91 -1.64 119.26 119.33 1iw0 h ALA 144 Ca 0.08 -0.00 0.06 0.00 0.00 0.00 0.00 54.91 55.04 1iw0 h ALA 144 Cb 0.15 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 17.76 1iw0 h ALA 144 CO -0.01 -0.06 0.48 -0.09 0.00 0.00 0.00 179.25 179.57 1iw0 h ARG 145 N 0.52 0.86 -0.23 0.00 9.65 -1.00 -1.40 114.38 122.78 1iw0 h ARG 145 Ca 0.18 -0.05 -0.11 0.00 -1.10 0.00 0.00 59.98 58.90 1iw0 h ARG 145 Cb 0.03 -0.19 -0.01 0.00 -1.39 0.00 0.00 29.97 28.40 1iw0 h ARG 145 CO -0.09 0.57 -0.32 0.52 2.80 0.00 0.00 179.97 183.45 1iw0 h MET 146 N 0.89 0.48 -0.27 0.20 2.86 -0.91 0.35 114.93 118.53 1iw0 h MET 146 Ca 0.34 -0.21 -0.12 0.00 -2.06 0.00 0.00 59.70 57.66 1iw0 h MET 146 Cb 0.15 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.79 1iw0 h MET 146 CO -0.17 0.75 -0.33 0.52 1.06 0.00 0.00 176.91 178.74 1iw0 h MET 147 N 0.41 0.58 -0.16 1.72 2.86 -0.60 -0.58 114.93 119.17 1iw0 h MET 147 Ca 0.05 -0.26 -0.05 0.00 -2.06 0.00 0.00 59.70 57.38 1iw0 h MET 147 Cb 0.77 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.41 1iw0 h MET 147 CO 0.06 0.84 -0.09 1.96 1.06 0.00 0.00 176.91 180.74 1iw0 h GLN 148 N 0.50 0.35 0.17 1.72 4.20 -1.01 -2.60 115.11 118.43 1iw0 h GLN 148 Ca 0.06 -0.15 -0.01 0.00 0.06 0.00 0.00 58.65 58.60 1iw0 h GLN 148 Cb 0.81 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.58 1iw0 h GLN 148 CO 0.07 0.67 -0.08 -0.09 -0.67 0.00 0.00 178.83 178.72 1iw0 h ARG 149 N 0.02 -0.22 0.13 1.46 2.43 -0.77 -1.80 114.38 115.63 1iw0 h ARG 149 Ca 0.04 0.02 -0.29 0.00 -0.81 0.00 0.00 59.98 58.93 1iw0 h ARG 149 Cb 0.57 0.05 0.02 0.00 -0.42 0.00 0.00 29.97 30.19 1iw0 h ARG 149 CO 0.03 0.12 -1.26 0.45 -1.51 0.00 0.00 179.97 177.80 1iw0 h HIS 150 N -0.59 0.86 -0.01 2.20 3.86 -1.25 -3.39 115.15 116.83 1iw0 h HIS 150 Ca -0.02 -0.56 0.00 0.00 -1.16 0.00 0.00 60.37 58.62 1iw0 h HIS 150 Cb 0.44 -0.06 0.00 0.00 1.06 0.00 0.00 27.41 28.85 1iw0 h HIS 150 CO 0.04 1.41 0.00 0.66 0.86 0.00 0.00 177.93 180.90 1iw0 n TYR 151 N -3.72 0.00 -2.00 2.45 0.53 -1.04 -5.01 117.16 108.37 1iw0 n TYR 151 Ca -0.12 -0.01 -0.15 0.00 -1.02 0.00 0.00 57.90 56.60 1iw0 n TYR 151 Cb 1.00 -0.00 -0.03 0.00 -1.03 0.00 0.00 39.34 39.28 1iw0 n TYR 151 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 1iw0 n GLY 152 N 0.23 0.34 3.75 2.72 0.00 -0.68 -4.86 105.19 106.70 1iw0 n GLY 152 Ca 0.02 -0.29 -0.41 0.00 0.00 0.00 0.00 46.02 45.34 1iw0 n GLY 152 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1iw0 s VAL 153 N -2.67 2.55 0.28 1.61 1.01 -1.01 -4.94 120.40 117.22 1iw0 s VAL 153 Ca 0.00 0.46 -0.29 0.00 0.00 0.00 0.00 61.98 62.15 1iw0 s VAL 153 Cb 0.00 -3.30 -0.10 0.00 0.00 0.00 0.00 36.38 32.99 1iw0 s VAL 153 CO 0.00 0.08 1.28 -0.62 0.00 0.00 0.00 175.10 175.84 1iw0 s ASP 154 N 0.34 6.88 0.60 3.32 -1.08 -1.26 -4.39 116.67 121.08 1iw0 s ASP 154 Ca 0.59 2.54 0.31 0.00 -0.52 0.00 0.00 52.55 55.47 1iw0 s ASP 154 Cb -0.43 -2.63 1.83 0.00 -1.46 0.00 0.00 42.92 40.23 1iw0 s ASP 154 CO 0.45 -0.48 2.22 1.55 0.52 0.00 0.00 175.17 179.43 1iw0 h PRO 155 N 4.12 0.00 0.00 4.34 0.13 -1.97 -0.02 132.00 138.59 1iw0 h PRO 155 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1iw0 h PRO 155 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1iw0 h PRO 155 CO 0.70 0.00 0.00 0.93 -0.23 0.00 0.00 178.00 179.40 1iw0 h GLU 156 N 0.00 0.00 -0.65 0.86 5.08 -2.02 -1.81 114.58 116.04 1iw0 h GLU 156 Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1iw0 h GLU 156 Cb 0.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.38 1iw0 h GLU 156 CO -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.01 1iw0 n ALA 157 N -1.95 3.18 -1.60 3.43 0.00 -0.02 -4.13 120.51 119.41 1iw0 n ALA 157 Ca 0.00 -1.64 0.06 0.00 0.00 0.00 0.00 53.44 51.87 1iw0 n ALA 157 Cb 0.22 -1.03 0.16 0.00 0.00 0.00 0.00 19.45 18.80 1iw0 n ALA 157 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1iw0 n LEU 158 N 1.10 2.28 -0.15 0.00 4.77 -0.68 -4.78 117.00 119.54 1iw0 n LEU 158 Ca 0.26 -3.33 0.18 0.00 -0.03 0.00 0.00 56.01 53.09 1iw0 n LEU 158 Cb 0.93 -0.42 0.56 0.00 -2.33 0.00 0.00 43.42 42.17 1iw0 n LEU 158 CO 0.25 1.07 1.21 1.23 -1.33 0.00 0.00 177.39 179.83 1iw0 h GLY 159 N 0.70 0.54 0.13 -0.72 0.00 -1.72 -0.76 103.07 101.25 1iw0 h GLY 159 Ca -0.03 -0.13 0.19 0.00 0.00 0.00 0.00 47.33 47.36 1iw0 h GLY 159 CO 0.01 0.03 0.59 -2.75 0.00 0.00 0.00 176.54 174.42 1iw0 h PHE 160 N 0.30 1.03 -0.00 5.60 3.57 -1.86 -0.82 116.94 124.75 1iw0 h PHE 160 Ca 0.37 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.91 1iw0 h PHE 160 Cb 1.03 -0.31 0.00 0.00 2.79 0.00 0.00 35.95 39.46 1iw0 h PHE 160 CO -0.00 0.22 -0.07 0.66 -2.23 0.00 0.00 178.31 176.89 1iw0 n TYR 161 N -4.79 0.00 0.04 0.41 4.02 -0.29 -4.45 117.16 112.10 1iw0 n TYR 161 Ca 0.23 0.00 -0.11 0.00 -0.01 0.00 0.00 57.90 58.00 1iw0 n TYR 161 Cb 0.56 -0.33 -0.13 0.00 -0.02 0.00 0.00 39.34 39.42 1iw0 n TYR 161 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1iw0 h HIS 162 N 0.12 0.18 -5.80 -0.72 3.86 -1.16 -3.44 115.15 108.18 1iw0 h HIS 162 Ca 0.00 -0.13 -0.25 0.00 -1.16 0.00 0.00 60.37 58.83 1iw0 h HIS 162 Cb 0.39 -0.01 0.08 0.00 1.06 0.00 0.00 27.41 28.93 1iw0 h HIS 162 CO 0.00 1.16 -0.63 1.19 0.86 0.00 0.00 177.93 180.50 1iw0 n PHE 163 N -3.30 -2.42 -1.79 2.45 3.01 -1.26 -4.91 117.46 109.23 1iw0 n PHE 163 Ca -0.12 0.83 -0.41 0.00 1.01 0.00 0.00 57.45 58.76 1iw0 n PHE 163 Cb 1.01 -3.76 -0.02 0.00 -0.01 0.00 0.00 39.48 36.71 1iw0 n PHE 163 CO 0.00 0.00 0.00 -2.00 1.01 0.00 0.00 176.76 175.77 1iw0 s GLU 164 N -4.47 4.13 0.00 -1.08 2.12 -1.26 -1.73 118.70 116.41 1iw0 s GLU 164 Ca 0.26 2.56 0.00 0.00 0.36 0.00 0.00 54.97 58.15 1iw0 s GLU 164 Cb -0.07 -3.03 0.00 0.00 0.26 0.00 0.00 34.13 31.29 1iw0 s GLU 164 CO 0.80 -0.62 0.00 0.41 -0.54 0.00 0.00 175.26 175.31 1iw0 n GLY 165 N 2.22 2.58 3.53 -1.50 0.00 -1.26 -4.94 105.19 105.82 1iw0 n GLY 165 Ca 0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.75 1iw0 n GLY 165 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1iw0 s ILE 166 N -2.63 4.49 0.00 -0.61 1.01 -0.70 -5.03 121.20 117.72 1iw0 s ILE 166 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 60.65 60.52 1iw0 s ILE 166 Cb 0.00 -3.05 0.00 0.00 0.01 0.00 0.00 42.46 39.42 1iw0 s ILE 166 CO 0.00 0.40 0.00 0.00 0.00 0.00 0.00 174.94 175.34 1iw0 n ALA 167 N 4.20 0.00 -2.48 9.38 0.00 -1.26 -4.80 120.51 125.54 1iw0 n ALA 167 Ca -0.16 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 52.87 1iw0 n ALA 167 Cb 0.52 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.94 1iw0 n ALA 167 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1iw0 s LYS 168 N 0.00 3.14 0.13 0.00 1.02 -1.26 -4.88 119.74 117.89 1iw0 s LYS 168 Ca 0.00 -0.18 -0.13 0.00 0.02 0.00 0.00 55.97 55.69 1iw0 s LYS 168 Cb 0.00 -4.27 -0.04 0.00 -0.52 0.00 0.00 37.83 33.00 1iw0 s LYS 168 CO 0.00 -2.23 1.49 1.25 -0.92 0.00 0.00 175.35 174.94 1iw0 h LEU 169 N 13.47 0.89 -0.29 3.17 5.85 -2.00 -2.16 115.31 134.23 1iw0 h LEU 169 Ca -0.25 -0.43 0.04 0.00 0.84 0.00 0.00 57.88 58.08 1iw0 h LEU 169 Cb 1.06 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.81 1iw0 h LEU 169 CO 1.28 1.12 0.08 0.11 -0.34 0.00 0.00 178.44 180.69 1iw0 h LYS 170 N 0.66 0.20 -0.42 1.25 1.79 -1.97 -0.32 116.57 117.76 1iw0 h LYS 170 Ca 0.08 -0.01 0.05 0.00 -2.18 0.00 0.00 60.65 58.59 1iw0 h LYS 170 Cb 0.81 -0.05 -0.05 0.00 -1.58 0.00 0.00 32.23 31.37 1iw0 h LYS 170 CO 0.07 0.13 0.15 0.28 -1.08 0.00 0.00 179.45 179.00 1iw0 h VAL 171 N 0.21 0.87 -0.50 0.50 2.07 -1.96 -0.42 116.25 117.01 1iw0 h VAL 171 Ca 0.13 -0.11 0.04 0.00 0.82 0.00 0.00 66.70 67.59 1iw0 h VAL 171 Cb 0.12 0.52 -0.04 0.00 -1.52 0.00 0.00 31.29 30.37 1iw0 h VAL 171 CO -0.15 0.06 0.26 0.22 0.02 0.00 0.00 177.57 177.97 1iw0 h TYR 172 N 0.32 0.47 -0.10 1.57 3.20 -0.69 -0.21 116.97 121.54 1iw0 h TYR 172 Ca 0.20 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.09 1iw0 h TYR 172 Cb 0.18 -0.14 -0.00 0.00 1.54 0.00 0.00 36.73 38.31 1iw0 h TYR 172 CO -0.15 0.23 0.06 0.87 -1.64 0.00 0.00 178.16 177.54 1iw0 h LYS 173 N 0.50 0.14 -0.76 1.82 1.57 -0.68 0.97 116.57 120.14 1iw0 h LYS 173 Ca 0.22 -0.01 0.08 0.00 -1.87 0.00 0.00 60.65 59.06 1iw0 h LYS 173 Cb 0.12 -0.03 -0.06 0.00 0.08 0.00 0.00 32.23 32.34 1iw0 h LYS 173 CO -0.15 0.14 0.43 -0.44 -0.57 0.00 0.00 179.45 178.86 1iw0 h ASP 174 N 0.10 0.63 -0.07 0.86 3.32 -0.65 -1.34 116.42 119.27 1iw0 h ASP 174 Ca 0.04 0.04 -0.12 0.00 0.02 0.00 0.00 57.03 57.01 1iw0 h ASP 174 Cb 0.03 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 1iw0 h ASP 174 CO -0.01 0.38 -0.32 -0.33 -1.72 0.00 0.00 179.24 177.25 1iw0 h GLU 175 N 0.76 0.55 -0.03 3.56 5.08 -0.60 -1.23 114.58 122.67 1iw0 h GLU 175 Ca 0.35 -0.24 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1iw0 h GLU 175 Cb 0.27 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.50 1iw0 h GLU 175 CO -0.22 0.81 0.02 -0.92 -1.00 0.00 0.00 179.01 177.70 1iw0 h TYR 176 N 0.47 0.04 -0.94 4.33 5.03 -0.33 -0.97 116.97 124.61 1iw0 h TYR 176 Ca 0.06 0.00 0.01 0.00 2.58 0.00 0.00 58.73 61.38 1iw0 h TYR 176 Cb 0.79 -0.01 -0.05 0.00 1.55 0.00 0.00 36.73 39.01 1iw0 h TYR 176 CO 0.03 0.02 0.62 0.00 -1.32 0.00 0.00 178.16 177.51 1iw0 h ARG 177 N 0.04 1.22 -0.83 1.82 3.08 -1.00 -1.53 114.38 117.18 1iw0 h ARG 177 Ca 0.01 -0.07 -0.03 0.00 0.07 0.00 0.00 59.98 59.96 1iw0 h ARG 177 Cb -0.00 -0.28 -0.04 0.00 0.08 0.00 0.00 29.97 29.73 1iw0 h ARG 177 CO -0.00 0.81 0.42 0.93 -1.07 0.00 0.00 179.97 181.05 1iw0 h GLU 178 N 1.26 1.18 -0.72 0.04 4.39 -0.85 -0.88 114.58 119.00 1iw0 h GLU 178 Ca 0.35 -0.16 -0.04 0.00 0.34 0.00 0.00 59.36 59.85 1iw0 h GLU 178 Cb -0.12 -0.22 -0.03 0.00 -0.10 0.00 0.00 28.75 28.28 1iw0 h GLU 178 CO -0.08 0.89 0.29 0.87 -1.16 0.00 0.00 179.01 179.82 1iw0 h LYS 179 N 1.16 1.07 -0.28 2.33 1.57 -0.69 -0.72 116.57 121.02 1iw0 h LYS 179 Ca 0.29 -0.19 0.03 0.00 -1.87 0.00 0.00 60.65 58.91 1iw0 h LYS 179 Cb 0.09 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.19 1iw0 h LYS 179 CO -0.04 0.88 0.09 -0.07 -0.57 0.00 0.00 179.45 179.73 1iw0 h LEU 180 N 1.02 0.09 -1.79 2.94 3.38 -0.80 -2.41 115.31 117.75 1iw0 h LEU 180 Ca 0.24 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.22 1iw0 h LEU 180 Cb 0.20 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 1iw0 h LEU 180 CO -0.02 0.09 -0.11 0.78 0.09 0.00 0.00 178.44 179.26 1iw0 h ASN 181 N 0.21 0.00 0.06 -0.43 2.35 -0.75 -2.68 115.58 114.35 1iw0 h ASN 181 Ca 0.12 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.87 1iw0 h ASN 181 Cb 0.10 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.47 1iw0 h ASN 181 CO -0.13 0.11 -0.06 0.59 -1.65 0.00 0.00 177.43 176.29 1iw0 n ASN 182 N -4.37 1.21 -4.76 5.81 5.03 -0.31 -4.77 115.26 113.10 1iw0 n ASN 182 Ca -0.03 -1.27 -0.41 0.00 0.87 0.00 0.00 54.58 53.75 1iw0 n ASN 182 Cb 0.19 0.02 -0.02 0.00 -1.02 0.00 0.00 39.78 38.95 1iw0 n ASN 182 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1iw0 s LEU 183 N -2.14 4.42 -0.40 3.41 1.43 -1.00 -4.97 118.68 119.43 1iw0 s LEU 183 Ca 0.35 2.63 -0.27 0.00 -1.03 0.00 0.00 54.13 55.81 1iw0 s LEU 183 Cb 0.21 -3.64 0.02 0.00 0.03 0.00 0.00 46.19 42.81 1iw0 s LEU 183 CO 0.39 -0.55 0.98 -1.61 0.23 0.00 0.00 176.35 175.79 1iw0 s GLU 184 N -1.25 3.78 -0.00 1.70 0.41 -1.26 -5.02 118.70 117.05 1iw0 s GLU 184 Ca 0.52 0.54 0.02 0.00 -0.41 0.00 0.00 54.97 55.64 1iw0 s GLU 184 Cb -0.39 -3.84 -0.00 0.00 -1.78 0.00 0.00 34.13 28.11 1iw0 s GLU 184 CO 0.48 -1.09 -0.05 -0.51 -0.49 0.00 0.00 175.26 173.61 1iw0 s LEU 185 N 3.75 1.99 0.86 1.80 1.43 -1.26 -5.08 118.68 122.17 1iw0 s LEU 185 Ca 0.41 -0.10 -0.12 0.00 -1.03 0.00 0.00 54.13 53.29 1iw0 s LEU 185 Cb -0.11 -0.27 0.11 0.00 0.03 0.00 0.00 46.19 45.95 1iw0 s LEU 185 CO 0.22 0.06 1.16 -0.94 0.23 0.00 0.00 176.35 177.09 1iw0 s SER 186 N -0.10 4.01 0.28 2.29 1.04 -1.26 -4.78 113.70 115.17 1iw0 s SER 186 Ca 0.02 0.86 -0.02 0.00 0.48 0.00 0.00 55.95 57.28 1iw0 s SER 186 Cb -0.02 -1.38 0.40 0.00 0.10 0.00 0.00 66.02 65.11 1iw0 s SER 186 CO -0.00 -2.23 1.91 0.44 0.98 0.00 0.00 173.24 174.34 1iw0 h ASP 187 N -1.28 0.92 -0.50 7.02 5.19 -2.01 0.40 116.42 126.16 1iw0 h ASP 187 Ca -0.48 -0.07 -0.06 0.00 -0.62 0.00 0.00 57.03 55.80 1iw0 h ASP 187 Cb 1.33 -0.23 -0.02 0.00 0.18 0.00 0.00 39.33 40.59 1iw0 h ASP 187 CO 0.64 0.74 0.09 -0.33 -3.12 0.00 0.00 179.24 177.26 1iw0 h GLU 188 N 1.04 0.82 -0.36 3.56 3.07 -1.99 -0.13 114.58 120.59 1iw0 h GLU 188 Ca 0.26 -0.22 -0.12 0.00 -0.50 0.00 0.00 59.36 58.79 1iw0 h GLU 188 Cb 0.03 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 27.83 1iw0 h GLU 188 CO -0.04 0.81 -0.23 1.96 -1.40 0.00 0.00 179.01 180.11 1iw0 h GLN 189 N 0.70 0.80 -0.52 2.33 4.20 -1.80 -0.60 115.11 120.22 1iw0 h GLN 189 Ca 0.15 -0.37 -0.04 0.00 0.06 0.00 0.00 58.65 58.45 1iw0 h GLN 189 Cb 0.39 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.13 1iw0 h GLN 189 CO 0.01 1.00 0.15 -0.09 -0.67 0.00 0.00 178.83 179.23 1iw0 h ARG 190 N 0.59 0.82 -0.54 1.46 2.43 -0.82 0.16 114.38 118.47 1iw0 h ARG 190 Ca 0.07 -0.18 -0.02 0.00 -0.81 0.00 0.00 59.98 59.05 1iw0 h ARG 190 Cb 0.80 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 30.21 1iw0 h ARG 190 CO 0.06 0.76 0.28 1.49 -1.51 0.00 0.00 179.97 181.05 1iw0 h GLU 191 N 0.72 0.77 -0.63 0.20 4.81 -0.91 -0.34 114.58 119.21 1iw0 h GLU 191 Ca 0.17 -0.10 -0.01 0.00 -0.13 0.00 0.00 59.36 59.28 1iw0 h GLU 191 Cb 0.29 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.50 1iw0 h GLU 191 CO -0.00 0.62 0.35 1.25 -0.73 0.00 0.00 179.01 180.50 1iw0 h HIS 192 N 0.73 0.87 -0.08 0.92 2.76 -0.81 -1.11 115.15 118.42 1iw0 h HIS 192 Ca 0.19 -0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.34 1iw0 h HIS 192 Cb 0.09 -0.28 -0.00 0.00 1.55 0.00 0.00 27.41 28.77 1iw0 h HIS 192 CO -0.01 0.62 0.04 1.25 -1.30 0.00 0.00 177.93 178.53 1iw0 h LEU 193 N 0.86 0.11 -0.45 0.26 6.46 -0.70 -0.17 115.31 121.67 1iw0 h LEU 193 Ca 0.22 -0.14 0.02 0.00 -0.12 0.00 0.00 57.88 57.86 1iw0 h LEU 193 Cb 0.04 -0.03 -0.03 0.00 -0.73 0.00 0.00 40.66 39.91 1iw0 h LEU 193 CO -0.04 0.22 0.27 -0.07 -0.62 0.00 0.00 178.44 178.20 1iw0 h LEU 194 N -0.01 0.44 -0.59 2.25 3.38 -0.86 -0.72 115.31 119.20 1iw0 h LEU 194 Ca 0.03 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.00 1iw0 h LEU 194 Cb 0.14 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 1iw0 h LEU 194 CO -0.00 0.32 0.39 0.11 0.09 0.00 0.00 178.44 179.34 1iw0 h LYS 195 N 0.55 0.78 -0.55 1.13 1.57 -1.09 -2.50 116.57 116.45 1iw0 h LYS 195 Ca 0.18 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.87 1iw0 h LYS 195 Cb 0.00 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.11 1iw0 h LYS 195 CO -0.08 0.52 0.17 1.49 -0.57 0.00 0.00 179.45 180.98 1iw0 h GLU 196 N 0.80 0.82 -0.72 3.15 4.57 -0.51 -1.03 114.58 121.65 1iw0 h GLU 196 Ca 0.22 -0.15 -0.02 0.00 -1.18 0.00 0.00 59.36 58.23 1iw0 h GLU 196 Cb -0.09 -0.13 -0.03 0.00 -0.16 0.00 0.00 28.75 28.33 1iw0 h GLU 196 CO -0.05 0.71 0.38 0.00 -1.18 0.00 0.00 179.01 178.87 1iw0 h ALA 197 N 1.39 0.93 -0.50 2.92 0.00 -0.78 0.21 119.26 123.42 1iw0 h ALA 197 Ca 0.18 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 55.00 1iw0 h ALA 197 Cb 0.23 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 1iw0 h ALA 197 CO -0.01 0.46 0.28 1.15 0.00 0.00 0.00 179.25 181.13 1iw0 h THR 198 N 1.00 1.01 -0.61 0.00 2.02 -1.05 -1.71 112.91 113.56 1iw0 h THR 198 Ca 0.25 -0.19 -0.05 0.00 0.77 0.00 0.00 66.41 67.19 1iw0 h THR 198 Cb 0.07 0.41 -0.03 0.00 -1.74 0.00 0.00 68.15 66.86 1iw0 h THR 198 CO -0.04 0.10 0.17 0.44 0.37 0.00 0.00 175.52 176.56 1iw0 h ASP 199 N 0.55 0.89 -0.83 4.18 3.32 -0.41 -1.63 116.42 122.49 1iw0 h ASP 199 Ca 0.21 -0.16 0.05 0.00 0.02 0.00 0.00 57.03 57.15 1iw0 h ASP 199 Cb 0.07 -0.23 -0.06 0.00 0.22 0.00 0.00 39.33 39.34 1iw0 h ASP 199 CO -0.12 0.85 0.52 0.00 -1.72 0.00 0.00 179.24 178.77 1iw0 h ALA 200 N 1.27 1.12 -0.56 3.45 0.00 -0.17 -0.06 119.26 124.31 1iw0 h ALA 200 Ca 0.20 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 1iw0 h ALA 200 Cb 0.30 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1iw0 h ALA 200 CO -0.00 0.30 0.20 0.74 0.00 0.00 0.00 179.25 180.49 1iw0 h PHE 201 N 0.98 0.88 -0.51 0.00 -1.00 -0.91 -1.85 116.94 114.54 1iw0 h PHE 201 Ca 0.35 -0.08 0.05 0.00 2.81 0.00 0.00 57.97 61.10 1iw0 h PHE 201 Cb 0.10 -0.26 -0.05 0.00 3.61 0.00 0.00 35.95 39.35 1iw0 h PHE 201 CO -0.03 0.73 0.24 0.28 -1.61 0.00 0.00 178.31 177.92 1iw0 h VAL 202 N 0.78 0.93 -0.50 -0.55 2.07 -0.53 0.88 116.25 119.32 1iw0 h VAL 202 Ca 0.18 -0.16 -0.01 0.00 0.82 0.00 0.00 66.70 67.53 1iw0 h VAL 202 Cb 0.24 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 30.41 1iw0 h VAL 202 CO -0.01 0.09 0.28 -0.26 0.02 0.00 0.00 177.57 177.69 1iw0 h PHE 203 N 0.47 0.68 -0.63 1.57 0.05 -0.85 -2.03 116.94 116.20 1iw0 h PHE 203 Ca 0.23 -0.01 -0.08 0.00 3.82 0.00 0.00 57.97 61.93 1iw0 h PHE 203 Cb 0.16 -0.22 -0.03 0.00 2.00 0.00 0.00 35.95 37.86 1iw0 h PHE 203 CO -0.11 0.50 0.09 -0.91 -0.18 0.00 0.00 178.31 177.70 1iw0 h ASN 204 N 0.67 1.00 -0.76 2.17 2.35 -0.80 -1.49 115.58 118.71 1iw0 h ASN 204 Ca 0.18 -0.24 -0.01 0.00 -0.55 0.00 0.00 56.30 55.68 1iw0 h ASN 204 Cb 0.04 -0.26 -0.04 0.00 0.05 0.00 0.00 38.32 38.10 1iw0 h ASN 204 CO -0.03 1.00 0.43 -0.74 -1.65 0.00 0.00 177.43 176.44 1iw0 h HIS 205 N 0.98 1.04 0.00 1.19 2.76 -0.71 -2.65 115.15 117.74 1iw0 h HIS 205 Ca 0.19 -0.02 -0.08 0.00 -2.20 0.00 0.00 60.37 58.26 1iw0 h HIS 205 Cb 0.44 -0.33 -0.01 0.00 1.55 0.00 0.00 27.41 29.05 1iw0 h HIS 205 CO 0.03 0.72 -0.40 0.37 -1.30 0.00 0.00 177.93 177.35 1iw0 h GLN 206 N 1.05 0.00 -0.54 5.26 5.75 -0.87 -0.03 115.11 125.73 1iw0 h GLN 206 Ca 0.27 0.00 0.03 0.00 -0.15 0.00 0.00 58.65 58.80 1iw0 h GLN 206 Cb 0.01 0.00 -0.04 0.00 1.07 0.00 0.00 27.48 28.52 1iw0 h GLN 206 CO -0.05 0.40 0.32 0.28 -2.65 0.00 0.00 178.83 177.13 1iw0 h VAL 207 N 0.00 1.05 -0.34 2.39 2.07 -0.94 0.15 116.25 120.63 1iw0 h VAL 207 Ca -0.00 -0.22 -0.03 0.00 0.82 0.00 0.00 66.70 67.27 1iw0 h VAL 207 Cb 0.71 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 30.83 1iw0 h VAL 207 CO 0.05 0.12 0.10 -0.26 0.02 0.00 0.00 177.57 177.59 1iw0 h PHE 208 N 0.63 0.57 -0.55 1.57 0.04 -1.13 -0.88 116.94 117.19 1iw0 h PHE 208 Ca 0.22 -0.06 0.05 0.00 2.80 0.00 0.00 57.97 60.97 1iw0 h PHE 208 Cb 0.03 -0.16 -0.05 0.00 2.20 0.00 0.00 35.95 37.97 1iw0 h PHE 208 CO -0.07 0.57 0.28 0.00 -0.60 0.00 0.00 178.31 178.49 1iw0 h ALA 209 N 0.94 0.71 -0.35 2.45 0.00 -0.53 -1.03 119.26 121.45 1iw0 h ALA 209 Ca 0.11 0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.93 1iw0 h ALA 209 Cb 0.28 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1iw0 h ALA 209 CO -0.00 -0.06 -0.24 -0.44 0.00 0.00 0.00 179.25 178.51 1iw0 h ASP 210 N 0.54 0.70 -0.43 0.00 3.32 -0.59 -2.50 116.42 117.46 1iw0 h ASP 210 Ca 0.24 -0.25 -0.01 0.00 0.02 0.00 0.00 57.03 57.03 1iw0 h ASP 210 Cb 0.15 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.49 1iw0 h ASP 210 CO -0.17 0.92 0.23 -0.07 -1.72 0.00 0.00 179.24 178.43 1iw0 h LEU 211 N 0.60 0.57 -1.16 1.55 3.38 -0.65 -2.33 115.31 117.27 1iw0 h LEU 211 Ca 0.08 -0.04 -0.08 0.00 0.09 0.00 0.00 57.88 57.93 1iw0 h LEU 211 Cb 0.72 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 1iw0 h LEU 211 CO 0.06 0.48 -0.36 1.23 0.09 0.00 0.00 178.44 179.93 1iw0 h GLY 212 N 0.74 0.00 0.35 0.83 0.00 -0.78 -3.51 103.07 100.71 1iw0 h GLY 212 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.49 1iw0 h GLY 212 CO -0.02 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.80