#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ui6 n LEU 5 N 0.00 -0.05 0.27 1.69 4.32 -1.26 0.47 117.00 122.44 1ui6 n LEU 5 Ca 0.00 0.19 -0.17 0.00 -0.02 0.00 0.00 56.01 56.01 1ui6 n LEU 5 Cb 0.00 -0.05 -0.08 0.00 -1.62 0.00 0.00 43.42 41.66 1ui6 n LEU 5 CO 0.00 -0.18 0.61 0.08 -1.22 0.00 0.00 177.39 176.68 1ui6 h ARG 6 N 0.00 -0.81 -0.24 3.23 0.11 -2.07 -0.06 114.38 114.55 1ui6 h ARG 6 Ca 0.05 0.06 0.05 0.00 0.10 0.00 0.00 59.98 60.24 1ui6 h ARG 6 Cb 0.08 0.18 -0.05 0.00 1.11 0.00 0.00 29.97 31.29 1ui6 h ARG 6 CO -0.11 -0.54 -0.09 0.00 0.10 0.00 0.00 179.97 179.33 1ui6 h ALA 7 N -0.47 0.12 -0.82 0.08 0.00 -0.42 -1.10 119.26 116.66 1ui6 h ALA 7 Ca -0.04 0.09 0.05 0.00 0.00 0.00 0.00 54.91 55.01 1ui6 h ALA 7 Cb 0.73 0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.70 1ui6 h ALA 7 CO -0.02 -0.50 0.54 0.93 0.00 0.00 0.00 179.25 180.19 1ui6 h GLU 8 N -0.04 0.93 0.00 0.00 4.39 -0.50 -1.19 114.58 118.17 1ui6 h GLU 8 Ca 0.12 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.77 1ui6 h GLU 8 Cb 0.23 -0.21 0.00 0.00 -0.10 0.00 0.00 28.75 28.67 1ui6 h GLU 8 CO -0.28 0.61 0.00 1.96 -1.16 0.00 0.00 179.01 180.15 1ui6 h GLN 9 N 0.96 0.00 0.00 2.33 4.20 0.32 -3.08 115.11 119.84 1ui6 h GLN 9 Ca 0.34 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.05 1ui6 h GLN 9 Cb 0.13 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.91 1ui6 h GLN 9 CO -0.11 0.00 -0.12 0.25 -0.67 0.00 0.00 178.83 178.18 1ui6 n THR 10 N -3.02 0.10 -0.20 -0.54 -2.24 -0.45 -4.20 114.28 103.72 1ui6 n THR 10 Ca -0.01 -0.05 -0.07 0.00 -2.27 0.00 0.00 64.05 61.65 1ui6 n THR 10 Cb 0.20 -0.36 0.03 0.00 -2.10 0.00 0.00 70.33 68.10 1ui6 n THR 10 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 1ui6 h ARG 11 N 0.00 0.84 -0.88 -0.78 2.43 -1.66 -1.73 114.38 112.61 1ui6 h ARG 11 Ca 0.00 -0.13 -0.01 0.00 -0.81 0.00 0.00 59.98 59.02 1ui6 h ARG 11 Cb 0.54 -0.15 -0.04 0.00 -0.42 0.00 0.00 29.97 29.90 1ui6 h ARG 11 CO 0.00 0.69 0.49 0.00 -1.51 0.00 0.00 179.97 179.65 1ui6 h ALA 12 N 1.10 1.12 -0.48 2.80 0.00 -1.83 -1.74 119.26 120.23 1ui6 h ALA 12 Ca 0.20 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1ui6 h ALA 12 Cb 0.14 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1ui6 h ALA 12 CO -0.02 0.62 0.29 1.15 0.00 0.00 0.00 179.25 181.28 1ui6 h THR 13 N 1.22 1.15 -0.66 0.00 2.02 -1.71 0.27 112.91 115.20 1ui6 h THR 13 Ca 0.31 -0.35 -0.06 0.00 0.77 0.00 0.00 66.41 67.09 1ui6 h THR 13 Cb 0.01 0.51 -0.03 0.00 -1.74 0.00 0.00 68.15 66.91 1ui6 h THR 13 CO -0.05 0.15 0.19 0.40 0.37 0.00 0.00 175.52 176.58 1ui6 h ILE 14 N 0.64 1.25 -0.09 3.11 2.04 -1.02 0.26 117.51 123.70 1ui6 h ILE 14 Ca 0.17 -0.89 -0.02 0.00 1.00 0.00 0.00 64.86 65.12 1ui6 h ILE 14 Cb -0.00 0.58 -0.00 0.00 -0.74 0.00 0.00 36.82 36.65 1ui6 h ILE 14 CO -0.03 0.34 -0.02 0.40 0.00 0.00 0.00 178.15 178.84 1ui6 h ILE 15 N 0.97 1.28 -0.21 -0.67 2.04 -1.11 0.14 117.51 119.95 1ui6 h ILE 15 Ca 0.21 -0.91 0.04 0.00 1.00 0.00 0.00 64.86 65.20 1ui6 h ILE 15 Cb 0.32 1.71 -0.04 0.00 -0.74 0.00 0.00 36.82 38.08 1ui6 h ILE 15 CO -0.00 0.26 -0.03 1.23 0.00 0.00 0.00 178.15 179.60 1ui6 h GLY 16 N -0.15 0.17 0.88 5.37 0.00 -0.26 0.64 103.07 109.72 1ui6 h GLY 16 Ca 0.02 0.05 0.02 0.00 0.00 0.00 0.00 47.33 47.42 1ui6 h GLY 16 CO 0.01 -0.06 0.17 0.00 0.00 0.00 0.00 176.54 176.66 1ui6 h ALA 17 N 1.19 0.40 -0.16 3.60 0.00 -0.33 -0.02 119.26 123.95 1ui6 h ALA 17 Ca 0.10 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 1ui6 h ALA 17 Cb 0.14 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1ui6 h ALA 17 CO -0.19 -0.19 -0.30 0.00 0.00 0.00 0.00 179.25 178.56 1ui6 h ALA 18 N 1.16 1.20 0.17 0.00 0.00 -0.20 -2.26 119.26 119.31 1ui6 h ALA 18 Ca 0.13 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 1ui6 h ALA 18 Cb 0.03 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1ui6 h ALA 18 CO -0.08 0.53 -0.08 0.00 0.00 0.00 0.00 179.25 179.62 1ui6 h ALA 19 N 1.42 -0.22 -0.24 0.00 0.00 0.91 0.02 119.26 121.15 1ui6 h ALA 19 Ca 0.04 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 54.92 1ui6 h ALA 19 Cb 0.67 0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.50 1ui6 h ALA 19 CO 0.05 -0.59 -0.07 0.22 0.00 0.00 0.00 179.25 178.86 1ui6 h ASP 20 N -0.30 -0.26 -0.57 0.00 3.58 -0.83 0.18 116.42 118.23 1ui6 h ASP 20 Ca -0.02 0.08 -0.08 0.00 0.42 0.00 0.00 57.03 57.42 1ui6 h ASP 20 Cb 0.23 0.16 -0.02 0.00 1.72 0.00 0.00 39.33 41.42 1ui6 h ASP 20 CO 0.04 -0.09 0.05 -0.07 -2.88 0.00 0.00 179.24 176.29 1ui6 h LEU 21 N -0.02 0.96 -0.32 2.28 3.38 -1.26 -1.14 115.31 119.19 1ui6 h LEU 21 Ca 0.12 -0.24 -0.10 0.00 0.09 0.00 0.00 57.88 57.75 1ui6 h LEU 21 Cb 0.20 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1ui6 h LEU 21 CO -0.25 0.99 -0.20 -0.26 0.09 0.00 0.00 178.44 178.80 1ui6 h PHE 22 N 0.93 0.82 -0.57 1.13 0.05 -0.34 0.49 116.94 119.45 1ui6 h PHE 22 Ca 0.18 -0.22 -0.01 0.00 3.82 0.00 0.00 57.97 61.75 1ui6 h PHE 22 Cb 0.47 -0.18 -0.03 0.00 2.00 0.00 0.00 35.95 38.21 1ui6 h PHE 22 CO 0.03 0.94 0.33 0.22 -0.18 0.00 0.00 178.31 179.65 1ui6 h ASP 23 N 0.47 0.70 0.04 2.17 -0.00 -0.47 0.15 116.42 119.47 1ui6 h ASP 23 Ca 0.07 -0.07 -0.21 0.00 -0.00 0.00 0.00 57.03 56.82 1ui6 h ASP 23 Cb 0.74 -0.18 -0.02 0.00 -0.00 0.00 0.00 39.33 39.88 1ui6 h ASP 23 CO 0.06 0.57 -1.10 0.03 -0.00 0.00 0.00 179.24 178.80 1ui6 h ARG 24 N 0.77 0.09 -0.00 0.28 3.08 -1.09 -3.41 114.38 114.10 1ui6 h ARG 24 Ca 0.20 -0.15 0.00 0.00 0.07 0.00 0.00 59.98 60.10 1ui6 h ARG 24 Cb 0.01 0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.12 1ui6 h ARG 24 CO -0.04 1.07 -0.86 0.54 -1.07 0.00 0.00 179.97 179.62 1ui6 n ARG 25 N -4.27 0.33 0.00 0.04 1.74 0.17 -5.09 116.66 109.59 1ui6 n ARG 25 Ca -0.26 -0.27 0.00 0.00 -0.77 0.00 0.00 57.85 56.55 1ui6 n ARG 25 Cb 0.73 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.67 1ui6 n ARG 25 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ui6 n GLY 26 N 1.48 -0.42 0.29 -0.13 0.00 0.04 -4.59 105.19 101.87 1ui6 n GLY 26 Ca 0.05 -1.55 -0.15 0.00 0.00 0.00 0.00 46.02 44.38 1ui6 n GLY 26 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1ui6 h TYR 27 N 0.00 -0.63 -0.64 1.61 3.20 -1.87 -3.15 116.97 115.49 1ui6 h TYR 27 Ca 0.00 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.86 1ui6 h TYR 27 Cb 0.00 0.21 -0.03 0.00 1.54 0.00 0.00 36.73 38.45 1ui6 h TYR 27 CO 0.00 -0.31 0.42 0.93 -1.64 0.00 0.00 178.16 177.56 1ui6 h GLU 28 N -0.95 0.84 -0.00 1.82 3.07 -1.97 -2.59 114.58 114.80 1ui6 h GLU 28 Ca -0.07 -0.05 0.00 0.00 -0.50 0.00 0.00 59.36 58.74 1ui6 h GLU 28 Cb 0.61 -0.19 0.00 0.00 -0.84 0.00 0.00 28.75 28.33 1ui6 h GLU 28 CO 0.11 0.56 -0.02 0.45 -1.40 0.00 0.00 179.01 178.71 1ui6 n SER 29 N -4.44 0.33 -4.72 1.42 2.88 -1.25 -4.82 113.62 103.03 1ui6 n SER 29 Ca 0.06 -0.91 -0.35 0.00 -1.33 0.00 0.00 58.87 56.35 1ui6 n SER 29 Cb 0.04 -0.05 -0.09 0.00 -0.75 0.00 0.00 64.21 63.37 1ui6 n SER 29 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1ui6 s THR 30 N -2.15 4.83 0.34 2.46 2.01 -0.98 -5.02 115.64 117.12 1ui6 s THR 30 Ca 0.41 -0.04 0.08 0.00 0.31 0.00 0.00 61.69 62.45 1ui6 s THR 30 Cb 0.21 -3.11 -0.04 0.00 0.01 0.00 0.00 72.50 69.58 1ui6 s THR 30 CO 0.39 0.56 0.17 0.42 -0.69 0.00 0.00 174.62 175.47 1ui6 s THR 31 N -0.46 3.16 0.27 -0.82 -4.23 -1.26 -4.98 115.64 107.32 1ui6 s THR 31 Ca 0.10 -1.62 -0.04 0.00 -1.18 0.00 0.00 61.69 58.95 1ui6 s THR 31 Cb -0.12 -3.03 0.24 0.00 1.34 0.00 0.00 72.50 70.93 1ui6 s THR 31 CO 0.02 -0.19 1.92 -0.07 -0.54 0.00 0.00 174.62 175.77 1ui6 h LEU 32 N 1.48 1.00 -0.52 4.79 3.38 -1.99 -1.48 115.31 121.99 1ui6 h LEU 32 Ca -0.44 -0.06 -0.06 0.00 0.09 0.00 0.00 57.88 57.41 1ui6 h LEU 32 Cb 1.25 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.73 1ui6 h LEU 32 CO 0.62 0.77 0.09 0.28 0.09 0.00 0.00 178.44 180.29 1ui6 h SER 33 N 1.16 0.82 -0.21 -0.43 0.02 -1.99 -0.79 113.55 112.12 1ui6 h SER 33 Ca 0.30 -0.26 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 1ui6 h SER 33 Cb -0.05 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.26 1ui6 h SER 33 CO -0.06 0.87 0.13 -0.33 -1.14 0.00 0.00 176.83 176.30 1ui6 h GLU 34 N 0.74 0.28 -0.59 3.45 5.08 -1.78 -2.34 114.58 119.41 1ui6 h GLU 34 Ca 0.16 -0.02 0.07 0.00 -1.00 0.00 0.00 59.36 58.57 1ui6 h GLU 34 Cb 0.39 -0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.52 1ui6 h GLU 34 CO 0.01 0.20 0.27 0.82 -1.00 0.00 0.00 179.01 179.32 1ui6 h ILE 35 N 0.27 0.88 -0.31 3.13 2.04 -0.97 -1.86 117.51 120.68 1ui6 h ILE 35 Ca 0.08 -0.17 -0.12 0.00 1.00 0.00 0.00 64.86 65.64 1ui6 h ILE 35 Cb -0.01 0.33 -0.01 0.00 -0.74 0.00 0.00 36.82 36.39 1ui6 h ILE 35 CO -0.02 0.09 -0.30 0.58 0.00 0.00 0.00 178.15 178.51 1ui6 h VAL 36 N 0.50 1.28 -0.43 1.67 2.07 -0.93 -1.46 116.25 118.95 1ui6 h VAL 36 Ca 0.28 -1.42 -0.14 0.00 0.82 0.00 0.00 66.70 66.24 1ui6 h VAL 36 Cb 0.26 1.36 -0.01 0.00 -1.52 0.00 0.00 31.29 31.38 1ui6 h VAL 36 CO -0.23 0.46 -0.29 0.00 0.02 0.00 0.00 177.57 177.53 1ui6 h ALA 37 N 1.11 0.67 -0.63 1.67 0.00 -1.02 -1.47 119.26 119.59 1ui6 h ALA 37 Ca 0.07 -0.42 -0.07 0.00 0.00 0.00 0.00 54.91 54.49 1ui6 h ALA 37 Cb 0.79 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 1ui6 h ALA 37 CO 0.07 0.67 0.12 1.25 0.00 0.00 0.00 179.25 181.36 1ui6 h HIS 38 N 0.80 1.10 0.00 0.00 6.17 -1.14 -2.52 115.15 119.57 1ui6 h HIS 38 Ca 0.09 -0.15 0.00 0.00 0.71 0.00 0.00 60.37 61.02 1ui6 h HIS 38 Cb 0.87 -0.30 0.00 0.00 2.52 0.00 0.00 27.41 30.49 1ui6 h HIS 38 CO 0.05 0.93 0.00 0.00 0.71 0.00 0.00 177.93 179.62 1ui6 h ALA 39 N 1.04 1.00 -0.64 5.26 0.00 -1.17 -3.47 119.26 121.28 1ui6 h ALA 39 Ca 0.19 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.99 1ui6 h ALA 39 Cb 0.41 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1ui6 h ALA 39 CO 0.01 0.00 -0.13 0.41 0.00 0.00 0.00 179.25 179.54 1ui6 n GLY 40 N 0.76 0.36 3.69 0.00 0.00 -0.60 -4.93 105.19 104.46 1ui6 n GLY 40 Ca 0.04 -0.70 -0.31 0.00 0.00 0.00 0.00 46.02 45.05 1ui6 n GLY 40 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ui6 s VAL 41 N -2.26 1.16 0.53 1.61 -7.23 -0.91 -5.05 120.40 108.25 1ui6 s VAL 41 Ca 0.00 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.15 1ui6 s VAL 41 Cb 0.00 -2.32 0.02 0.00 0.56 0.00 0.00 36.38 34.64 1ui6 s VAL 41 CO 0.00 0.00 0.79 0.42 -0.31 0.00 0.00 175.10 176.00 1ui6 s THR 42 N -2.93 3.41 0.28 5.32 -4.23 -1.26 -4.61 115.64 111.62 1ui6 s THR 42 Ca 0.13 -0.40 -0.03 0.00 -1.18 0.00 0.00 61.69 60.22 1ui6 s THR 42 Cb 0.03 -3.30 0.23 0.00 1.34 0.00 0.00 72.50 70.79 1ui6 s THR 42 CO 0.07 -0.25 1.91 0.50 -0.54 0.00 0.00 174.62 176.32 1ui6 h LYS 43 N 0.08 1.07 -0.62 3.99 3.64 -1.97 -2.16 116.57 120.58 1ui6 h LYS 43 Ca -0.45 -0.11 0.04 0.00 -1.27 0.00 0.00 60.65 58.87 1ui6 h LYS 43 Cb 1.27 -0.22 -0.05 0.00 -0.41 0.00 0.00 32.23 32.83 1ui6 h LYS 43 CO 0.57 0.77 0.36 0.78 -2.27 0.00 0.00 179.45 179.66 1ui6 h GLY 44 N 1.11 0.90 1.50 5.01 0.00 -1.98 0.10 103.07 109.71 1ui6 h GLY 44 Ca 0.28 -0.26 -0.02 0.00 0.00 0.00 0.00 47.33 47.33 1ui6 h GLY 44 CO -0.05 0.18 0.20 0.00 0.00 0.00 0.00 176.54 176.87 1ui6 h ALA 45 N 1.31 1.48 -0.10 3.60 0.00 -1.78 0.97 119.26 124.74 1ui6 h ALA 45 Ca 0.27 -0.11 -0.22 0.00 0.00 0.00 0.00 54.91 54.84 1ui6 h ALA 45 Cb 0.11 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 17.72 1ui6 h ALA 45 CO -0.15 0.40 -0.83 1.25 0.00 0.00 0.00 179.25 179.93 1ui6 h LEU 46 N 0.65 0.82 -0.91 0.00 6.46 -0.79 -3.04 115.31 118.51 1ui6 h LEU 46 Ca 0.16 -0.56 -0.03 0.00 -0.12 0.00 0.00 57.88 57.33 1ui6 h LEU 46 Cb 0.11 -0.24 -0.00 0.00 -0.73 0.00 0.00 40.66 39.79 1ui6 h LEU 46 CO -0.02 1.35 -0.13 1.88 -0.62 0.00 0.00 178.44 180.91 1ui6 h TYR 47 N 0.44 0.00 -0.60 1.25 0.05 -0.48 0.74 116.97 118.37 1ui6 h TYR 47 Ca -0.06 0.00 0.06 0.00 0.05 0.00 0.00 58.73 58.78 1ui6 h TYR 47 Cb 1.45 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 39.15 1ui6 h TYR 47 CO 0.08 0.13 0.40 0.35 -1.05 0.00 0.00 178.16 178.07 1ui6 h PHE 48 N 0.00 0.58 0.00 4.88 3.57 -0.70 -3.32 116.94 121.95 1ui6 h PHE 48 Ca -0.00 0.01 -0.23 0.00 3.53 0.00 0.00 57.97 61.29 1ui6 h PHE 48 Cb 0.78 -0.19 -0.04 0.00 2.79 0.00 0.00 35.95 39.28 1ui6 h PHE 48 CO 0.00 0.31 -1.85 0.72 -2.23 0.00 0.00 178.31 175.25 1ui6 n HIS 49 N -4.48 0.00 -3.82 0.41 8.25 -0.88 -4.99 115.22 109.71 1ui6 n HIS 49 Ca 0.09 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.35 1ui6 n HIS 49 Cb 0.24 -0.60 -0.17 0.00 1.12 0.00 0.00 29.99 30.58 1ui6 n HIS 49 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1ui6 s PHE 50 N -2.30 0.36 0.16 4.41 0.40 0.20 -5.03 117.98 116.19 1ui6 s PHE 50 Ca -0.11 0.01 -0.09 0.00 -0.60 0.00 0.00 56.93 56.14 1ui6 s PHE 50 Cb 0.04 -0.55 0.03 0.00 0.51 0.00 0.00 43.02 43.05 1ui6 s PHE 50 CO 0.45 -0.20 1.52 0.00 0.70 0.00 0.00 175.22 177.69 1ui6 h ALA 51 N 7.87 0.67 -2.68 5.36 0.00 -1.82 -3.32 119.26 125.34 1ui6 h ALA 51 Ca -0.28 -0.43 -0.17 0.00 0.00 0.00 0.00 54.91 54.03 1ui6 h ALA 51 Cb 1.13 -0.13 -0.13 0.00 0.00 0.00 0.00 17.79 18.66 1ui6 h ALA 51 CO 0.33 0.67 -0.42 0.00 0.00 0.00 0.00 179.25 179.82 1ui6 s ALA 52 N -4.46 0.62 0.34 0.00 0.00 -1.26 -5.00 121.76 112.00 1ui6 s ALA 52 Ca -0.10 -1.38 0.12 0.00 0.00 0.00 0.00 51.96 50.60 1ui6 s ALA 52 Cb 0.12 1.26 0.96 0.00 0.00 0.00 0.00 23.12 25.46 1ui6 s ALA 52 CO 0.87 -0.69 1.74 -0.22 0.00 0.00 0.00 175.76 177.45 1ui6 h LYS 53 N 2.48 0.50 -0.44 0.00 3.64 -2.00 0.52 116.57 121.28 1ui6 h LYS 53 Ca -0.32 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 58.99 1ui6 h LYS 53 Cb 1.25 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.93 1ui6 h LYS 53 CO 0.46 0.33 0.12 0.93 -2.27 0.00 0.00 179.45 179.02 1ui6 h GLU 54 N 0.52 0.65 -0.48 1.90 5.08 -1.99 -1.72 114.58 118.53 1ui6 h GLU 54 Ca 0.64 -0.11 -0.07 0.00 -1.00 0.00 0.00 59.36 58.82 1ui6 h GLU 54 Cb 1.33 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 30.46 1ui6 h GLU 54 CO -0.43 0.58 0.02 -0.44 -1.00 0.00 0.00 179.01 177.74 1ui6 h ASP 55 N 0.63 0.75 -0.53 1.42 5.19 -1.30 -0.02 116.42 122.56 1ui6 h ASP 55 Ca 0.15 -0.17 -0.02 0.00 -0.62 0.00 0.00 57.03 56.36 1ui6 h ASP 55 Cb 0.22 -0.20 -0.03 0.00 0.18 0.00 0.00 39.33 39.51 1ui6 h ASP 55 CO -0.01 0.81 0.26 -0.07 -3.12 0.00 0.00 179.24 177.11 1ui6 h LEU 56 N 0.74 0.72 0.12 1.55 3.38 -1.25 -1.23 115.31 119.34 1ui6 h LEU 56 Ca 0.15 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 1ui6 h LEU 56 Cb 0.43 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1ui6 h LEU 56 CO 0.02 0.62 -0.06 0.00 0.09 0.00 0.00 178.44 179.11 1ui6 h ALA 57 N 1.49 -0.16 -0.82 1.53 0.00 -0.74 -1.86 119.26 118.70 1ui6 h ALA 57 Ca 0.20 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1ui6 h ALA 57 Cb 0.10 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 1ui6 h ALA 57 CO -0.02 -0.40 0.46 1.25 0.00 0.00 0.00 179.25 180.53 1ui6 h HIS 58 N -0.52 1.11 -0.48 0.00 -0.00 -0.97 -0.47 115.15 113.81 1ui6 h HIS 58 Ca -0.02 -0.02 0.01 0.00 -0.00 0.00 0.00 60.37 60.34 1ui6 h HIS 58 Cb 0.42 -0.36 -0.03 0.00 -0.00 0.00 0.00 27.41 27.45 1ui6 h HIS 58 CO 0.04 0.77 0.31 0.00 -0.00 0.00 0.00 177.93 179.05 1ui6 h ALA 59 N 1.24 0.61 -0.31 5.26 0.00 -1.22 0.65 119.26 125.50 1ui6 h ALA 59 Ca 0.29 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.18 1ui6 h ALA 59 Cb 0.01 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1ui6 h ALA 59 CO -0.05 0.04 0.20 0.82 0.00 0.00 0.00 179.25 180.26 1ui6 h ILE 60 N 0.63 1.07 -0.71 0.00 2.04 -1.05 -1.76 117.51 117.73 1ui6 h ILE 60 Ca 0.18 -0.14 -0.02 0.00 1.00 0.00 0.00 64.86 65.88 1ui6 h ILE 60 Cb -0.05 0.62 -0.03 0.00 -0.74 0.00 0.00 36.82 36.61 1ui6 h ILE 60 CO -0.05 0.08 0.38 -0.07 0.00 0.00 0.00 178.15 178.49 1ui6 h LEU 61 N 0.41 0.88 -0.49 1.44 3.38 -0.54 -1.45 115.31 118.94 1ui6 h LEU 61 Ca 0.12 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1ui6 h LEU 61 Cb -0.04 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 1ui6 h LEU 61 CO -0.03 0.71 0.31 -0.08 0.09 0.00 0.00 178.44 179.44 1ui6 h GLU 62 N 0.99 0.65 -0.61 1.13 4.81 0.58 -1.94 114.58 120.18 1ui6 h GLU 62 Ca 0.25 -0.05 -0.08 0.00 -0.13 0.00 0.00 59.36 59.36 1ui6 h GLU 62 Cb 0.04 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.25 1ui6 h GLU 62 CO -0.04 0.45 0.08 0.82 -0.73 0.00 0.00 179.01 179.58 1ui6 h ILE 63 N 0.66 1.26 -0.05 2.32 2.04 -0.39 -1.54 117.51 121.79 1ui6 h ILE 63 Ca 0.18 -1.02 -0.00 0.00 1.00 0.00 0.00 64.86 65.01 1ui6 h ILE 63 Cb -0.05 0.70 -0.00 0.00 -0.74 0.00 0.00 36.82 36.73 1ui6 h ILE 63 CO -0.04 0.38 0.02 -0.61 0.00 0.00 0.00 178.15 177.90 1ui6 h GLN 64 N 0.95 0.08 -0.13 2.37 4.15 -1.19 0.59 115.11 121.93 1ui6 h GLN 64 Ca 0.19 -0.01 0.02 0.00 0.77 0.00 0.00 58.65 59.61 1ui6 h GLN 64 Cb 0.44 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.10 1ui6 h GLN 64 CO 0.01 0.21 0.02 1.03 -1.93 0.00 0.00 178.83 178.18 1ui6 h SER 65 N -0.07 -0.00 -0.44 -0.69 0.87 -1.20 -0.38 113.55 111.63 1ui6 h SER 65 Ca 0.02 0.02 -0.05 0.00 -1.23 0.00 0.00 61.79 60.55 1ui6 h SER 65 Cb 0.16 0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 62.13 1ui6 h SER 65 CO -0.00 0.02 0.11 0.03 -0.53 0.00 0.00 176.83 176.46 1ui6 h ARG 66 N 0.07 0.78 -0.01 2.24 3.08 -1.23 -0.28 114.38 119.03 1ui6 h ARG 66 Ca 0.06 -0.16 -0.00 0.00 0.07 0.00 0.00 59.98 59.95 1ui6 h ARG 66 Cb 0.05 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 29.98 1ui6 h ARG 66 CO -0.08 0.71 0.00 1.15 -1.07 0.00 0.00 179.97 180.68 1ui6 h THR 67 N 0.75 1.23 -0.39 2.04 2.02 -0.23 -0.93 112.91 117.39 1ui6 h THR 67 Ca 0.16 -0.68 -0.09 0.00 0.77 0.00 0.00 66.41 66.57 1ui6 h THR 67 Cb 0.29 1.67 -0.02 0.00 -1.74 0.00 0.00 68.15 68.36 1ui6 h THR 67 CO -0.00 0.18 -0.13 0.77 0.37 0.00 0.00 175.52 176.71 1ui6 h SER 68 N -0.27 0.69 0.19 4.18 4.64 -0.94 -2.10 113.55 119.94 1ui6 h SER 68 Ca 0.00 -0.20 -0.10 0.00 -0.47 0.00 0.00 61.79 61.02 1ui6 h SER 68 Cb 0.29 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 62.18 1ui6 h SER 68 CO 0.00 0.84 -0.38 0.03 -0.87 0.00 0.00 176.83 176.45 1ui6 h ARG 69 N 0.63 0.26 -0.24 4.77 3.08 -1.00 -1.98 114.38 119.90 1ui6 h ARG 69 Ca 0.11 -0.12 -0.11 0.00 0.07 0.00 0.00 59.98 59.93 1ui6 h ARG 69 Cb 0.58 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.62 1ui6 h ARG 69 CO 0.04 0.61 -0.28 -0.09 -1.07 0.00 0.00 179.97 179.17 1ui6 h ARG 70 N 0.22 0.61 -0.37 0.04 2.43 -0.72 -2.37 114.38 114.22 1ui6 h ARG 70 Ca 0.02 -0.34 -0.09 0.00 -0.81 0.00 0.00 59.98 58.77 1ui6 h ARG 70 Cb 0.78 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.33 1ui6 h ARG 70 CO 0.06 0.95 -0.12 1.25 -1.51 0.00 0.00 179.97 180.59 1ui6 h LEU 71 N 0.32 0.65 -0.38 3.80 5.85 -1.30 0.48 115.31 124.73 1ui6 h LEU 71 Ca 0.03 -0.19 -0.09 0.00 0.84 0.00 0.00 57.88 58.48 1ui6 h LEU 71 Cb 0.86 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.70 1ui6 h LEU 71 CO 0.07 0.80 -0.10 0.00 -0.34 0.00 0.00 178.44 178.86 1ui6 h ALA 72 N 1.27 0.52 -0.15 1.25 0.00 -1.33 -1.42 119.26 119.39 1ui6 h ALA 72 Ca 0.10 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 1ui6 h ALA 72 Cb 0.56 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1ui6 h ALA 72 CO 0.04 0.40 -0.02 -0.22 0.00 0.00 0.00 179.25 179.44 1ui6 h LYS 73 N 0.54 0.29 -0.62 0.00 1.63 -1.21 -2.31 116.57 114.89 1ui6 h LYS 73 Ca 0.09 -0.10 0.06 0.00 -0.85 0.00 0.00 60.65 59.85 1ui6 h LYS 73 Cb 0.63 -0.02 -0.05 0.00 -0.60 0.00 0.00 32.23 32.18 1ui6 h LYS 73 CO 0.04 0.54 0.33 0.22 -3.45 0.00 0.00 179.45 177.13 1ui6 h ASP 74 N 0.01 0.48 1.09 4.20 3.58 -0.80 -2.28 116.42 122.70 1ui6 h ASP 74 Ca 0.04 0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.52 1ui6 h ASP 74 Cb 0.42 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 41.42 1ui6 h ASP 74 CO 0.01 0.31 0.00 -0.07 -2.88 0.00 0.00 179.24 176.61 1ui6 h LEU 75 N 0.61 0.00 -1.18 2.28 3.38 -1.17 -2.46 115.31 116.78 1ui6 h LEU 75 Ca 0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.25 1ui6 h LEU 75 Cb 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1ui6 h LEU 75 CO -0.18 0.00 0.00 -0.90 0.09 0.00 0.00 178.44 177.45 1ui6 n ASP 76 N -2.66 1.83 -1.11 -0.43 5.68 -0.87 -4.03 116.55 114.97 1ui6 n ASP 76 Ca 0.02 -1.62 0.08 0.00 -0.50 0.00 0.00 54.79 52.77 1ui6 n ASP 76 Cb 0.32 -0.01 0.27 0.00 -1.14 0.00 0.00 41.12 40.56 1ui6 n ASP 76 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ui6 n GLY 77 N 1.21 3.13 0.52 6.12 0.00 -0.92 -4.61 105.19 110.63 1ui6 n GLY 77 Ca 0.18 -0.76 0.08 0.00 0.00 0.00 0.00 46.02 45.52 1ui6 n GLY 77 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ui6 n ARG 78 N 0.47 2.36 -1.14 1.61 1.74 -1.26 -4.96 116.66 115.48 1ui6 n ARG 78 Ca 0.20 -2.58 -0.03 0.00 -0.77 0.00 0.00 57.85 54.67 1ui6 n ARG 78 Cb 0.76 -1.61 -0.01 0.00 -1.02 0.00 0.00 32.46 30.57 1ui6 n ARG 78 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ui6 n GLY 79 N -0.73 0.61 3.87 -0.13 0.00 -1.26 -5.03 105.19 102.52 1ui6 n GLY 79 Ca 0.17 -0.92 -0.30 0.00 0.00 0.00 0.00 46.02 44.96 1ui6 n GLY 79 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ui6 s TYR 80 N -2.12 3.49 0.77 1.61 4.12 -1.26 -5.07 117.35 118.88 1ui6 s TYR 80 Ca 0.00 1.13 -0.11 0.00 0.02 0.00 0.00 57.07 58.11 1ui6 s TYR 80 Cb 0.00 -2.53 0.05 0.00 -1.52 0.00 0.00 41.96 37.97 1ui6 s TYR 80 CO 0.00 -0.24 1.09 -1.54 0.02 0.00 0.00 175.55 174.89 1ui6 s SER 81 N -3.34 4.56 0.28 2.29 1.04 -1.26 -4.83 113.70 112.45 1ui6 s SER 81 Ca 0.53 1.82 -0.03 0.00 0.48 0.00 0.00 55.95 58.75 1ui6 s SER 81 Cb -0.10 -2.52 0.39 0.00 0.10 0.00 0.00 66.02 63.89 1ui6 s SER 81 CO 0.35 -2.00 1.93 0.28 0.98 0.00 0.00 173.24 174.78 1ui6 h SER 82 N -1.07 0.96 0.27 7.02 0.02 -1.90 -1.11 113.55 117.74 1ui6 h SER 82 Ca -0.44 -0.06 -0.15 0.00 -0.84 0.00 0.00 61.79 60.31 1ui6 h SER 82 Cb 1.23 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 63.52 1ui6 h SER 82 CO 0.52 0.74 -0.59 0.25 -1.14 0.00 0.00 176.83 176.61 1ui6 h LEU 83 N 1.11 0.37 -0.22 5.07 5.85 -1.93 0.75 115.31 126.32 1ui6 h LEU 83 Ca 0.29 -0.21 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 1ui6 h LEU 83 Cb -0.04 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 40.87 1ui6 h LEU 83 CO -0.05 0.88 0.10 -0.08 -0.34 0.00 0.00 178.44 178.94 1ui6 h GLU 84 N 0.25 0.32 -0.27 1.25 4.81 -1.84 0.27 114.58 119.36 1ui6 h GLU 84 Ca -0.00 -0.05 0.04 0.00 -0.13 0.00 0.00 59.36 59.22 1ui6 h GLU 84 Cb 1.11 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 30.39 1ui6 h GLU 84 CO 0.10 0.36 0.02 0.00 -0.73 0.00 0.00 179.01 178.76 1ui6 h ALA 85 N 0.95 0.26 -0.08 2.92 0.00 -0.95 0.27 119.26 122.62 1ui6 h ALA 85 Ca 0.07 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 1ui6 h ALA 85 Cb 0.15 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 1ui6 h ALA 85 CO -0.01 -0.40 0.05 1.25 0.00 0.00 0.00 179.25 180.14 1ui6 h LEU 86 N 0.11 0.10 -0.10 0.00 5.85 -0.30 -0.19 115.31 120.77 1ui6 h LEU 86 Ca 0.13 -0.07 0.04 0.00 0.84 0.00 0.00 57.88 58.82 1ui6 h LEU 86 Cb 0.16 -0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.11 1ui6 h LEU 86 CO -0.20 0.14 -0.21 0.24 -0.34 0.00 0.00 178.44 178.07 1ui6 h MET 87 N 0.05 -0.27 -0.43 1.25 2.86 -0.17 -1.39 114.93 116.83 1ui6 h MET 87 Ca 0.03 0.02 0.05 0.00 -2.06 0.00 0.00 59.70 57.74 1ui6 h MET 87 Cb 0.06 0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.76 1ui6 h MET 87 CO -0.00 -0.18 0.29 0.00 1.06 0.00 0.00 176.91 178.07 1ui6 h ARG 88 N -0.28 0.36 -0.51 1.72 3.08 -0.06 -0.92 114.38 117.78 1ui6 h ARG 88 Ca 0.09 -0.02 -0.10 0.00 0.07 0.00 0.00 59.98 60.02 1ui6 h ARG 88 Cb 0.41 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.36 1ui6 h ARG 88 CO -0.26 0.24 -0.07 1.25 -1.07 0.00 0.00 179.97 180.05 1ui6 h LEU 89 N 0.37 0.94 -0.29 3.04 5.85 -0.01 0.14 115.31 125.35 1ui6 h LEU 89 Ca 0.18 -0.34 -0.03 0.00 0.84 0.00 0.00 57.88 58.53 1ui6 h LEU 89 Cb 0.25 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 1ui6 h LEU 89 CO -0.04 1.06 0.05 0.71 -0.34 0.00 0.00 178.44 179.87 1ui6 h THR 90 N 0.80 1.23 -0.45 1.05 1.35 -0.29 -1.37 112.91 115.23 1ui6 h THR 90 Ca 0.13 -0.80 -0.07 0.00 -0.55 0.00 0.00 66.41 65.13 1ui6 h THR 90 Cb 0.62 1.19 -0.02 0.00 -1.73 0.00 0.00 68.15 68.21 1ui6 h THR 90 CO 0.04 0.26 -0.01 -0.26 -0.25 0.00 0.00 175.52 175.30 1ui6 h PHE 91 N 0.31 0.79 -0.06 4.73 -1.00 -1.34 -1.54 116.94 118.83 1ui6 h PHE 91 Ca 0.09 -0.11 -0.00 0.00 2.81 0.00 0.00 57.97 60.76 1ui6 h PHE 91 Cb 0.34 -0.22 -0.00 0.00 3.61 0.00 0.00 35.95 39.68 1ui6 h PHE 91 CO 0.02 0.74 0.03 0.78 -1.61 0.00 0.00 178.31 178.27 1ui6 h GLY 92 N 0.96 0.09 0.79 -1.45 0.00 -0.47 -0.73 103.07 102.25 1ui6 h GLY 92 Ca 0.14 -0.05 0.02 0.00 0.00 0.00 0.00 47.33 47.45 1ui6 h GLY 92 CO 0.02 0.04 0.05 -0.33 0.00 0.00 0.00 176.54 176.32 1ui6 h MET 93 N -0.04 0.14 -0.89 4.80 2.86 -1.13 -0.80 114.93 119.86 1ui6 h MET 93 Ca 0.02 -0.01 0.12 0.00 -2.06 0.00 0.00 59.70 57.77 1ui6 h MET 93 Cb 0.14 -0.03 -0.07 0.00 0.06 0.00 0.00 31.60 31.70 1ui6 h MET 93 CO -0.00 0.09 0.57 0.00 1.06 0.00 0.00 176.91 178.63 1ui6 h ALA 94 N 1.14 1.73 -0.33 6.32 0.00 -1.05 0.09 119.26 127.15 1ui6 h ALA 94 Ca 0.09 0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.87 1ui6 h ALA 94 Cb 0.08 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 1ui6 h ALA 94 CO -0.11 0.06 -0.33 -0.09 0.00 0.00 0.00 179.25 178.77 1ui6 h ARG 95 N 0.79 0.81 -0.27 0.00 2.43 -0.02 -1.41 114.38 116.71 1ui6 h ARG 95 Ca 0.43 -0.43 -0.13 0.00 -0.81 0.00 0.00 59.98 59.05 1ui6 h ARG 95 Cb 0.56 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.12 1ui6 h ARG 95 CO -0.20 1.06 -0.36 -0.07 -1.51 0.00 0.00 179.97 178.90 1ui6 h LEU 96 N 0.59 0.63 -0.59 3.80 3.38 -0.25 -3.04 115.31 119.82 1ui6 h LEU 96 Ca 0.05 -0.26 -0.12 0.00 0.09 0.00 0.00 57.88 57.64 1ui6 h LEU 96 Cb 0.91 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.47 1ui6 h LEU 96 CO 0.08 0.93 -0.15 0.00 0.09 0.00 0.00 178.44 179.40 1ui6 h VAL 98 N 0.86 0.00 0.00 0.00 3.04 -1.14 -2.82 116.25 116.18 1ui6 h VAL 98 Ca 0.13 -0.13 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 1ui6 h VAL 98 Cb 0.71 1.09 0.00 0.00 -2.01 0.00 0.00 31.29 31.07 1ui6 h VAL 98 CO 0.05 0.00 0.00 0.00 -1.01 0.00 0.00 177.57 176.61 1ui6 n GLN 99 N -3.01 2.31 -3.78 4.17 10.64 -0.77 -4.94 117.38 122.00 1ui6 n GLN 99 Ca -0.02 -1.27 -0.30 0.00 -1.83 0.00 0.00 57.00 53.58 1ui6 n GLN 99 Cb 0.13 -0.89 -0.15 0.00 -0.86 0.00 0.00 30.24 28.46 1ui6 n GLN 99 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.06 175.43 1ui6 s GLY 100 N -0.77 1.32 0.32 2.61 0.00 0.11 -4.98 107.32 105.92 1ui6 s GLY 100 Ca 0.00 -1.96 0.09 0.00 0.00 0.00 0.00 44.72 42.85 1ui6 s GLY 100 CO 0.00 1.48 1.74 -2.55 0.00 0.00 0.00 173.10 173.78 1ui6 h PRO 101 N 7.80 0.60 -0.30 2.90 0.11 -1.87 -2.05 132.00 139.19 1ui6 h PRO 101 Ca -0.10 -0.04 0.04 0.00 0.11 0.00 0.00 66.00 66.02 1ui6 h PRO 101 Cb 1.00 -0.14 -0.04 0.00 0.11 0.00 0.00 31.00 31.94 1ui6 h PRO 101 CO 0.48 0.40 0.06 0.28 -0.21 0.00 0.00 178.00 179.01 1ui6 h VAL 102 N 0.62 0.85 -0.73 3.15 2.07 -1.92 0.19 116.25 120.49 1ui6 h VAL 102 Ca 0.63 -0.06 -0.06 0.00 0.82 0.00 0.00 66.70 68.03 1ui6 h VAL 102 Cb 1.16 0.67 -0.03 0.00 -1.52 0.00 0.00 31.29 31.57 1ui6 h VAL 102 CO -0.44 0.03 0.24 -0.07 0.02 0.00 0.00 177.57 177.34 1ui6 h LEU 103 N 0.17 1.05 -0.98 2.57 3.38 -1.75 0.24 115.31 119.99 1ui6 h LEU 103 Ca 0.14 -0.20 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 1ui6 h LEU 103 Cb 0.15 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 1ui6 h LEU 103 CO -0.19 0.97 0.34 0.03 0.09 0.00 0.00 178.44 179.68 1ui6 h ARG 104 N 1.07 1.07 -0.44 1.13 3.08 -0.91 0.66 114.38 120.03 1ui6 h ARG 104 Ca 0.23 -0.16 -0.14 0.00 0.07 0.00 0.00 59.98 59.98 1ui6 h ARG 104 Cb 0.29 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 1ui6 h ARG 104 CO -0.01 0.84 -0.29 0.00 -1.07 0.00 0.00 179.97 179.44 1ui6 h ALA 105 N 1.31 0.64 0.07 0.04 0.00 0.11 0.10 119.26 121.54 1ui6 h ALA 105 Ca 0.25 -0.42 0.02 0.00 0.00 0.00 0.00 54.91 54.76 1ui6 h ALA 105 Cb 0.14 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1ui6 h ALA 105 CO -0.03 0.68 -0.16 0.78 0.00 0.00 0.00 179.25 180.51 1ui6 h GLY 106 N 0.83 -0.27 0.10 0.00 0.00 0.01 0.97 103.07 104.71 1ui6 h GLY 106 Ca 0.09 0.19 0.08 0.00 0.00 0.00 0.00 47.33 47.69 1ui6 h GLY 106 CO 0.08 -0.16 -0.17 -2.00 0.00 0.00 0.00 176.54 174.29 1ui6 h LEU 107 N -0.31 -0.58 -0.93 3.11 5.85 -0.68 0.18 115.31 121.94 1ui6 h LEU 107 Ca 0.03 0.14 -0.02 0.00 0.84 0.00 0.00 57.88 58.87 1ui6 h LEU 107 Cb 0.34 0.32 -0.04 0.00 0.37 0.00 0.00 40.66 41.65 1ui6 h LEU 107 CO -0.11 -0.20 0.43 -0.09 -0.34 0.00 0.00 178.44 178.13 1ui6 h ARG 108 N -0.10 1.19 -0.42 1.25 2.43 -0.46 0.14 114.38 118.41 1ui6 h ARG 108 Ca 0.19 -0.15 -0.06 0.00 -0.81 0.00 0.00 59.98 59.15 1ui6 h ARG 108 Cb 0.39 -0.23 -0.02 0.00 -0.42 0.00 0.00 29.97 29.70 1ui6 h ARG 108 CO -0.44 0.89 0.04 -0.07 -1.51 0.00 0.00 179.97 178.88 1ui6 h LEU 109 N 1.19 0.69 -0.47 3.80 4.07 0.28 -2.04 115.31 122.83 1ui6 h LEU 109 Ca 0.29 -0.28 -0.04 0.00 0.08 0.00 0.00 57.88 57.93 1ui6 h LEU 109 Cb 0.07 -0.18 -0.02 0.00 1.08 0.00 0.00 40.66 41.61 1ui6 h LEU 109 CO -0.04 0.80 0.12 0.00 -1.08 0.00 0.00 178.44 178.23 1ui6 h ALA 110 N 0.92 0.61 0.00 1.53 0.00 -0.22 -2.74 119.26 119.35 1ui6 h ALA 110 Ca 0.12 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 1ui6 h ALA 110 Cb 0.42 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1ui6 h ALA 110 CO 0.01 0.30 -0.24 1.15 0.00 0.00 0.00 179.25 180.47 1ui6 h THR 111 N 0.62 1.11 -2.92 0.00 2.02 -0.68 -3.44 112.91 109.62 1ui6 h THR 111 Ca 0.15 -0.86 -0.01 0.00 0.77 0.00 0.00 66.41 66.46 1ui6 h THR 111 Cb 0.32 1.47 0.00 0.00 -1.74 0.00 0.00 68.15 68.20 1ui6 h THR 111 CO 0.00 0.24 0.01 0.00 0.37 0.00 0.00 175.52 176.14 1ui6 n ALA 112 N -2.46 -0.01 -1.01 6.16 0.00 -0.77 -4.97 120.51 117.45 1ui6 n ALA 112 Ca -0.02 -0.05 -0.24 0.00 0.00 0.00 0.00 53.44 53.13 1ui6 n ALA 112 Cb 0.30 0.01 0.07 0.00 0.00 0.00 0.00 19.45 19.83 1ui6 n ALA 112 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ui6 n GLY 113 N 4.80 4.73 3.52 0.00 0.00 -1.26 -4.90 105.19 112.08 1ui6 n GLY 113 Ca 0.00 -1.51 -0.43 0.00 0.00 0.00 0.00 46.02 44.09 1ui6 n GLY 113 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ui6 s VAL 114 N -3.26 4.37 0.75 1.61 1.01 -1.20 -4.99 120.40 118.69 1ui6 s VAL 114 Ca 0.45 0.27 -0.16 0.00 0.00 0.00 0.00 61.98 62.54 1ui6 s VAL 114 Cb 0.36 -4.56 -0.04 0.00 0.00 0.00 0.00 36.38 32.14 1ui6 s VAL 114 CO 0.01 -1.14 0.39 -0.81 0.00 0.00 0.00 175.10 173.54 1ui6 n PRO 115 N 7.52 0.19 -4.06 2.72 -0.04 -1.26 -4.75 135.00 135.32 1ui6 n PRO 115 Ca 0.02 0.10 -0.35 0.00 -0.04 0.00 0.00 63.50 63.23 1ui6 n PRO 115 Cb 0.47 -1.73 -0.14 0.00 -0.04 0.00 0.00 33.50 32.07 1ui6 n PRO 115 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1ui6 s VAL 116 N -1.98 3.53 -0.14 0.52 1.01 -1.26 -4.92 120.40 117.16 1ui6 s VAL 116 Ca 0.62 -0.45 -0.29 0.00 0.00 0.00 0.00 61.98 61.86 1ui6 s VAL 116 Cb -0.33 -2.59 -0.03 0.00 0.00 0.00 0.00 36.38 33.43 1ui6 s VAL 116 CO 0.61 0.44 1.50 -0.13 0.00 0.00 0.00 175.10 177.52 1ui6 s ARG 117 N 1.19 4.09 0.68 2.72 0.52 -1.26 -4.87 118.95 122.02 1ui6 s ARG 117 Ca 0.02 1.84 -0.17 0.00 -0.52 0.00 0.00 55.73 56.91 1ui6 s ARG 117 Cb -0.14 -3.92 0.01 0.00 0.52 0.00 0.00 34.95 31.41 1ui6 s ARG 117 CO -0.01 -0.93 1.21 -2.30 0.02 0.00 0.00 175.30 173.29 1ui6 n PRO 118 N 7.11 0.85 -0.34 3.54 -0.02 -1.26 -1.98 135.00 142.90 1ui6 n PRO 118 Ca 0.16 0.35 0.04 0.00 -2.02 0.00 0.00 63.50 62.03 1ui6 n PRO 118 Cb 0.44 -2.45 0.18 0.00 -0.02 0.00 0.00 33.50 31.65 1ui6 n PRO 118 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1ui6 n PRO 119 N -2.07 2.50 -1.85 0.52 -0.04 -1.26 -5.08 135.00 127.71 1ui6 n PRO 119 Ca 0.15 -1.39 -0.42 0.00 -0.04 0.00 0.00 63.50 61.80 1ui6 n PRO 119 Cb 0.49 -1.68 -0.03 0.00 -0.04 0.00 0.00 33.50 32.24 1ui6 n PRO 119 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1ui6 s LEU 120 N -1.19 4.18 0.64 1.53 2.96 -0.84 -4.98 118.68 120.99 1ui6 s LEU 120 Ca 0.24 2.25 -0.11 0.00 -0.22 0.00 0.00 54.13 56.29 1ui6 s LEU 120 Cb 0.17 -3.53 -0.02 0.00 0.50 0.00 0.00 46.19 43.31 1ui6 s LEU 120 CO 0.10 -1.16 1.04 -2.16 -1.32 0.00 0.00 176.35 172.85 1ui6 s PRO 121 N 4.59 3.37 0.06 0.98 0.04 -1.26 -4.58 135.00 138.21 1ui6 s PRO 121 Ca 0.82 0.84 -0.31 0.00 0.04 0.00 0.00 61.00 62.39 1ui6 s PRO 121 Cb -0.35 -2.05 -0.07 0.00 0.04 0.00 0.00 34.50 32.07 1ui6 s PRO 121 CO 0.35 -0.75 1.42 -1.58 0.04 0.00 0.00 177.00 176.48 1ui6 s HIS 122 N -3.10 2.99 0.47 0.56 2.46 -1.26 -4.87 115.29 112.54 1ui6 s HIS 122 Ca 0.56 0.83 0.25 0.00 0.47 0.00 0.00 55.06 57.17 1ui6 s HIS 122 Cb -0.12 -3.70 1.28 0.00 -0.13 0.00 0.00 32.58 29.90 1ui6 s HIS 122 CO 0.53 -2.56 1.84 -1.00 -2.47 0.00 0.00 174.74 171.09 1ui6 h PRO 123 N 7.40 0.21 -0.30 2.88 0.13 -1.97 0.25 132.00 140.60 1ui6 h PRO 123 Ca -0.40 -0.01 -0.12 0.00 -0.87 0.00 0.00 66.00 64.59 1ui6 h PRO 123 Cb 1.20 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 32.27 1ui6 h PRO 123 CO 0.89 0.14 -0.32 0.74 -0.23 0.00 0.00 178.00 179.21 1ui6 h PHE 124 N 0.22 0.76 -0.24 1.56 -1.00 -1.97 0.56 116.94 116.83 1ui6 h PHE 124 Ca 0.49 -0.20 -0.19 0.00 2.81 0.00 0.00 57.97 60.88 1ui6 h PHE 124 Cb 1.55 -0.17 0.00 0.00 3.61 0.00 0.00 35.95 40.94 1ui6 h PHE 124 CO -0.00 0.90 -0.61 1.79 -1.61 0.00 0.00 178.31 178.77 1ui6 h THR 125 N 0.55 1.28 -0.96 -1.55 1.35 -0.90 0.20 112.91 112.88 1ui6 h THR 125 Ca 0.06 -1.81 0.02 0.00 -0.55 0.00 0.00 66.41 64.14 1ui6 h THR 125 Cb 0.83 1.74 -0.05 0.00 -1.73 0.00 0.00 68.15 68.93 1ui6 h THR 125 CO 0.07 0.58 0.63 -0.08 -0.25 0.00 0.00 175.52 176.47 1ui6 h GLU 126 N 0.61 1.22 -0.20 4.72 4.81 -1.09 0.05 114.58 124.71 1ui6 h GLU 126 Ca -0.00 -0.07 -0.14 0.00 -0.13 0.00 0.00 59.36 59.01 1ui6 h GLU 126 Cb 1.22 -0.28 -0.01 0.00 0.63 0.00 0.00 28.75 30.31 1ui6 h GLU 126 CO 0.13 0.81 -0.46 -1.49 -0.73 0.00 0.00 179.01 177.27 1ui6 h TRP 127 N 1.26 0.61 -0.49 0.92 6.55 0.68 -2.21 115.95 123.27 1ui6 h TRP 127 Ca 0.37 -0.19 -0.07 0.00 0.95 0.00 0.00 58.89 59.95 1ui6 h TRP 127 Cb -0.07 -0.13 -0.02 0.00 -0.86 0.00 0.00 29.16 28.08 1ui6 h TRP 127 CO -0.01 0.87 0.03 0.00 -1.05 0.00 0.00 178.44 178.29 1ui6 h ARG 128 N 0.41 0.78 -0.33 0.49 3.08 -0.36 -1.91 114.38 116.54 1ui6 h ARG 128 Ca 0.03 -0.19 -0.06 0.00 0.07 0.00 0.00 59.98 59.83 1ui6 h ARG 128 Cb 0.96 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.90 1ui6 h ARG 128 CO 0.08 0.77 -0.01 0.93 -1.07 0.00 0.00 179.97 180.67 1ui6 h GLU 129 N 0.74 0.59 0.39 0.04 5.08 -0.52 0.56 114.58 121.46 1ui6 h GLU 129 Ca 0.15 -0.19 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 1ui6 h GLU 129 Cb 0.40 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.60 1ui6 h GLU 129 CO 0.01 0.72 -0.21 0.82 -1.00 0.00 0.00 179.01 179.36 1ui6 h ILE 130 N 0.39 0.56 -0.76 3.13 2.04 -1.33 -0.28 117.51 121.26 1ui6 h ILE 130 Ca 0.09 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.01 1ui6 h ILE 130 Cb 0.47 0.56 -0.06 0.00 -0.74 0.00 0.00 36.82 37.05 1ui6 h ILE 130 CO 0.02 0.00 0.45 0.00 0.00 0.00 0.00 178.15 178.62 1ui6 h ALA 131 N 0.04 1.03 0.50 1.87 0.00 -1.27 -0.36 119.26 121.07 1ui6 h ALA 131 Ca -0.05 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1ui6 h ALA 131 Cb 0.45 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1ui6 h ALA 131 CO 0.07 0.16 -0.24 1.15 0.00 0.00 0.00 179.25 180.38 1ui6 h THR 132 N 0.82 0.48 -0.94 0.00 2.02 -0.50 -0.17 112.91 114.61 1ui6 h THR 132 Ca 0.33 -0.21 0.02 0.00 0.77 0.00 0.00 66.41 67.33 1ui6 h THR 132 Cb 0.17 0.57 -0.05 0.00 -1.74 0.00 0.00 68.15 67.10 1ui6 h THR 132 CO -0.17 0.03 0.62 0.77 0.37 0.00 0.00 175.52 177.14 1ui6 h SER 133 N -0.81 1.06 -0.70 4.18 4.64 -0.83 -0.88 113.55 120.22 1ui6 h SER 133 Ca -0.07 -0.02 -0.03 0.00 -0.47 0.00 0.00 61.79 61.20 1ui6 h SER 133 Cb 0.57 -0.26 -0.03 0.00 -0.31 0.00 0.00 62.40 62.37 1ui6 h SER 133 CO 0.11 0.76 0.34 0.03 -0.87 0.00 0.00 176.83 177.20 1ui6 h ARG 134 N 1.25 1.02 -0.46 4.77 -0.00 -0.92 -2.21 114.38 117.82 1ui6 h ARG 134 Ca 0.36 -0.15 -0.12 0.00 -0.50 0.00 0.00 59.98 59.57 1ui6 h ARG 134 Cb -0.09 -0.18 -0.02 0.00 0.00 0.00 0.00 29.97 29.68 1ui6 h ARG 134 CO -0.09 0.80 -0.17 -0.07 0.00 0.00 0.00 179.97 180.44 1ui6 h LEU 135 N 0.98 0.91 -0.37 3.04 3.38 0.01 -1.38 115.31 121.88 1ui6 h LEU 135 Ca 0.24 -0.31 0.02 0.00 0.09 0.00 0.00 57.88 57.92 1ui6 h LEU 135 Cb 0.12 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 1ui6 h LEU 135 CO -0.03 1.06 0.20 -0.07 0.09 0.00 0.00 178.44 179.70 1ui6 h LEU 136 N 0.79 0.32 -0.81 1.67 3.38 -1.04 0.12 115.31 119.74 1ui6 h LEU 136 Ca 0.11 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 1ui6 h LEU 136 Cb 0.71 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.37 1ui6 h LEU 136 CO 0.05 0.23 0.48 0.44 0.09 0.00 0.00 178.44 179.74 1ui6 h ASP 137 N 0.41 0.98 -0.43 -0.43 3.32 -1.25 0.67 116.42 119.69 1ui6 h ASP 137 Ca 0.15 -0.07 -0.04 0.00 0.02 0.00 0.00 57.03 57.09 1ui6 h ASP 137 Cb 0.03 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.31 1ui6 h ASP 137 CO -0.09 0.76 0.12 0.00 -1.72 0.00 0.00 179.24 178.32 1ui6 h ALA 138 N 1.26 1.29 -0.34 3.45 0.00 -0.40 0.06 119.26 124.57 1ui6 h ALA 138 Ca 0.29 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 1ui6 h ALA 138 Cb -0.03 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1ui6 h ALA 138 CO -0.05 0.50 0.06 0.28 0.00 0.00 0.00 179.25 180.04 1ui6 h VAL 139 N 0.73 1.24 0.00 0.00 2.07 0.22 -0.18 116.25 120.33 1ui6 h VAL 139 Ca 0.16 -0.83 -0.01 0.00 0.82 0.00 0.00 66.70 66.85 1ui6 h VAL 139 Cb 0.26 1.11 -0.00 0.00 -1.52 0.00 0.00 31.29 31.15 1ui6 h VAL 139 CO -0.00 0.28 -0.03 -0.09 0.02 0.00 0.00 177.57 177.75 1ui6 h ARG 140 N 0.40 0.00 -0.65 1.57 2.43 0.43 -1.18 114.38 117.38 1ui6 h ARG 140 Ca 0.10 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 1ui6 h ARG 140 Cb 0.35 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.90 1ui6 h ARG 140 CO 0.01 0.03 0.00 1.04 -1.51 0.00 0.00 179.97 179.53 1ui6 n GLN 141 N -4.36 2.77 -1.45 0.20 6.02 -0.12 -4.95 117.38 115.49 1ui6 n GLN 141 Ca -0.03 -2.39 -0.16 0.00 -0.01 0.00 0.00 57.00 54.42 1ui6 n GLN 141 Cb 0.11 -1.60 -0.07 0.00 1.02 0.00 0.00 30.24 29.71 1ui6 n GLN 141 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 1ui6 n SER 142 N 1.27 -5.17 0.04 1.08 7.64 -0.45 -4.83 113.62 113.21 1ui6 n SER 142 Ca 0.22 0.39 0.12 0.00 1.01 0.00 0.00 58.87 60.61 1ui6 n SER 142 Cb 0.62 -4.04 0.30 0.00 -1.01 0.00 0.00 64.21 60.08 1ui6 n SER 142 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1ui6 n ASP 143 N -0.84 0.55 -3.90 6.43 8.00 -0.12 -4.71 116.55 121.96 1ui6 n ASP 143 Ca -0.16 0.15 -0.17 0.00 0.71 0.00 0.00 54.79 55.32 1ui6 n ASP 143 Cb 0.56 -0.06 -0.15 0.00 -0.02 0.00 0.00 41.12 41.45 1ui6 n ASP 143 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1ui6 s VAL 144 N -3.09 0.36 0.28 2.53 1.01 -1.16 -4.19 120.40 116.14 1ui6 s VAL 144 Ca 0.09 -0.09 -0.27 0.00 0.00 0.00 0.00 61.98 61.71 1ui6 s VAL 144 Cb 0.15 -0.37 -0.15 0.00 0.00 0.00 0.00 36.38 36.02 1ui6 s VAL 144 CO 0.67 0.15 0.81 1.41 0.00 0.00 0.00 175.10 178.13 1ui6 n HIS 145 N 3.60 0.54 0.24 5.22 8.25 -0.48 -4.40 115.22 128.18 1ui6 n HIS 145 Ca -0.21 0.77 0.08 0.00 -0.26 0.00 0.00 57.72 58.10 1ui6 n HIS 145 Cb 0.54 -2.13 0.59 0.00 1.12 0.00 0.00 29.99 30.10 1ui6 n HIS 145 CO 0.00 0.00 0.00 1.96 0.64 0.00 0.00 176.34 178.94 1ui6 h GLN 146 N 1.54 0.00 -0.00 -0.41 4.20 -1.93 -2.22 115.11 116.29 1ui6 h GLN 146 Ca -0.36 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.35 1ui6 h GLN 146 Cb 1.38 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.16 1ui6 h GLN 146 CO 0.58 0.14 -0.24 -0.25 -0.67 0.00 0.00 178.83 178.39 1ui6 n ASP 147 N -4.19 0.53 -4.77 1.46 9.92 -1.26 -4.89 116.55 113.35 1ui6 n ASP 147 Ca -0.02 -0.39 -0.41 0.00 -0.53 0.00 0.00 54.79 53.43 1ui6 n ASP 147 Cb 0.21 0.01 -0.01 0.00 -0.64 0.00 0.00 41.12 40.69 1ui6 n ASP 147 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1ui6 s ILE 148 N -2.71 2.24 -0.75 0.53 -1.09 -0.84 -4.93 121.20 113.65 1ui6 s ILE 148 Ca 0.20 0.23 -0.22 0.00 -2.23 0.00 0.00 60.65 58.63 1ui6 s ILE 148 Cb 0.19 -3.15 0.08 0.00 -1.58 0.00 0.00 42.46 38.00 1ui6 s ILE 148 CO 0.56 0.05 1.05 -0.62 -1.23 0.00 0.00 174.94 174.75 1ui6 s ASP 149 N -0.02 6.30 0.11 3.58 2.15 -1.26 -4.90 116.67 122.63 1ui6 s ASP 149 Ca 0.55 -1.24 -0.21 0.00 0.43 0.00 0.00 52.55 52.08 1ui6 s ASP 149 Cb -0.45 -2.43 -0.08 0.00 -0.30 0.00 0.00 42.92 39.66 1ui6 s ASP 149 CO 0.56 -1.38 1.74 0.58 -0.17 0.00 0.00 175.17 176.51 1ui6 h VAL 150 N 5.99 0.96 -0.66 1.11 2.07 -1.97 -2.76 116.25 121.00 1ui6 h VAL 150 Ca -0.15 -0.04 0.11 0.00 0.82 0.00 0.00 66.70 67.44 1ui6 h VAL 150 Cb 1.05 0.85 -0.12 0.00 -1.52 0.00 0.00 31.29 31.55 1ui6 h VAL 150 CO 1.19 0.02 -0.34 -0.78 0.02 0.00 0.00 177.57 177.67 1ui6 h ASP 151 N 0.10 -1.20 -0.44 0.57 3.58 -1.94 0.64 116.42 117.73 1ui6 h ASP 151 Ca 0.06 0.24 0.00 0.00 0.42 0.00 0.00 57.03 57.75 1ui6 h ASP 151 Cb 0.04 0.60 -0.02 0.00 1.72 0.00 0.00 39.33 41.67 1ui6 h ASP 151 CO -0.07 -0.30 0.29 -1.28 -2.88 0.00 0.00 179.24 175.00 1ui6 h SER 152 N -0.13 0.51 0.04 2.28 0.87 -1.92 -0.75 113.55 114.45 1ui6 h SER 152 Ca 0.25 -0.02 -0.06 0.00 -1.23 0.00 0.00 61.79 60.73 1ui6 h SER 152 Cb 0.56 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.38 1ui6 h SER 152 CO -0.73 0.38 -0.18 0.58 -0.53 0.00 0.00 176.83 176.34 1ui6 h VAL 153 N 0.60 1.21 -0.04 2.23 2.07 -1.22 -1.28 116.25 119.82 1ui6 h VAL 153 Ca 0.16 -0.97 -0.00 0.00 0.82 0.00 0.00 66.70 66.71 1ui6 h VAL 153 Cb -0.06 1.29 -0.00 0.00 -1.52 0.00 0.00 31.29 31.00 1ui6 h VAL 153 CO -0.03 0.30 0.01 0.00 0.02 0.00 0.00 177.57 177.87 1ui6 h ALA 154 N 1.55 0.05 -0.78 1.67 0.00 0.02 0.54 119.26 122.30 1ui6 h ALA 154 Ca 0.05 -0.12 0.08 0.00 0.00 0.00 0.00 54.91 54.92 1ui6 h ALA 154 Cb 0.48 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.19 1ui6 h ALA 154 CO 0.03 -0.33 0.45 0.45 0.00 0.00 0.00 179.25 179.85 1ui6 h HIS 155 N -0.15 0.82 -0.03 0.00 3.86 -0.92 0.99 115.15 119.71 1ui6 h HIS 155 Ca 0.01 0.03 -0.16 0.00 -1.16 0.00 0.00 60.37 59.09 1ui6 h HIS 155 Cb 0.24 -0.25 0.01 0.00 1.06 0.00 0.00 27.41 28.47 1ui6 h HIS 155 CO 0.00 0.36 -0.61 1.15 0.86 0.00 0.00 177.93 179.69 1ui6 h THR 156 N 0.78 1.40 -0.19 2.45 2.02 -1.17 -3.04 112.91 115.17 1ui6 h THR 156 Ca 0.37 -2.02 0.04 0.00 0.77 0.00 0.00 66.41 65.56 1ui6 h THR 156 Cb 0.30 2.48 -0.04 0.00 -1.74 0.00 0.00 68.15 69.15 1ui6 h THR 156 CO -0.22 0.60 -0.05 0.25 0.37 0.00 0.00 175.52 176.46 1ui6 h LEU 157 N -0.01 -0.19 0.02 2.58 5.85 0.94 0.43 115.31 124.92 1ui6 h LEU 157 Ca -0.07 0.06 0.03 0.00 0.84 0.00 0.00 57.88 58.74 1ui6 h LEU 157 Cb 1.30 0.12 -0.05 0.00 0.37 0.00 0.00 40.66 42.40 1ui6 h LEU 157 CO 0.12 -0.07 -0.32 0.58 -0.34 0.00 0.00 178.44 178.41 1ui6 h VAL 158 N -0.01 0.30 -1.00 1.05 2.07 -0.92 0.65 116.25 118.39 1ui6 h VAL 158 Ca 0.09 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.75 1ui6 h VAL 158 Cb 0.15 0.30 -0.09 0.00 -1.52 0.00 0.00 31.29 30.13 1ui6 h VAL 158 CO -0.20 0.00 0.62 0.00 0.02 0.00 0.00 177.57 178.02 1ui6 h SER 160 N 0.91 0.55 0.24 0.00 0.02 0.18 -3.15 113.55 112.30 1ui6 h SER 160 Ca 0.51 -0.24 -0.17 0.00 -0.84 0.00 0.00 61.79 61.06 1ui6 h SER 160 Cb 0.62 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 63.00 1ui6 h SER 160 CO -0.29 0.88 -0.67 0.58 -1.14 0.00 0.00 176.83 176.19 1ui6 h VAL 161 N 0.43 1.37 0.00 2.27 2.07 -0.55 -3.51 116.25 118.33 1ui6 h VAL 161 Ca 0.04 -2.04 -0.00 0.00 0.82 0.00 0.00 66.70 65.51 1ui6 h VAL 161 Cb 0.87 2.02 -0.00 0.00 -1.52 0.00 0.00 31.29 32.66 1ui6 h VAL 161 CO 0.07 0.62 0.02 0.52 0.02 0.00 0.00 177.57 178.82 1ui6 n VAL 162 N -3.87 0.54 0.00 2.57 0.31 -1.05 -5.05 118.33 111.79 1ui6 n VAL 162 Ca -0.04 -0.15 0.00 0.00 -0.01 0.00 0.00 64.34 64.14 1ui6 n VAL 162 Cb 0.67 -1.17 0.00 0.00 -0.91 0.00 0.00 33.84 32.43 1ui6 n VAL 162 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 1ui6 n ARG 180 N 1.95 0.00 -0.07 5.55 0.63 -1.26 -5.14 116.66 118.33 1ui6 n ARG 180 Ca 0.01 0.00 -0.11 0.00 -0.92 0.00 0.00 57.85 56.83 1ui6 n ARG 180 Cb 0.14 -2.20 -0.05 0.00 0.45 0.00 0.00 32.46 30.80 1ui6 n ARG 180 CO 0.00 0.00 0.00 1.25 -2.51 0.00 0.00 177.63 176.37 1ui6 h LEU 181 N 0.00 0.35 -1.28 6.15 6.46 -1.99 -0.45 115.31 124.55 1ui6 h LEU 181 Ca 0.00 -0.29 -0.00 0.00 -0.12 0.00 0.00 57.88 57.47 1ui6 h LEU 181 Cb 0.00 -0.09 -0.03 0.00 -0.73 0.00 0.00 40.66 39.80 1ui6 h LEU 181 CO 0.00 0.55 0.40 0.00 -0.62 0.00 0.00 178.44 178.77 1ui6 h ALA 182 N 0.81 1.46 -0.12 1.25 0.00 -1.99 -1.24 119.26 119.43 1ui6 h ALA 182 Ca 0.06 -0.07 -0.15 0.00 0.00 0.00 0.00 54.91 54.75 1ui6 h ALA 182 Cb 0.37 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1ui6 h ALA 182 CO 0.01 0.47 -0.56 1.49 0.00 0.00 0.00 179.25 180.65 1ui6 h GLU 183 N 0.91 0.37 -0.22 0.00 4.57 -1.87 0.13 114.58 118.47 1ui6 h GLU 183 Ca 0.24 -0.24 -0.05 0.00 -1.18 0.00 0.00 59.36 58.13 1ui6 h GLU 183 Cb -0.04 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.57 1ui6 h GLU 183 CO -0.05 0.83 -0.07 1.98 -1.18 0.00 0.00 179.01 180.53 1ui6 h MET 184 N 0.28 0.43 -0.94 1.92 4.05 -0.68 -2.87 114.93 117.12 1ui6 h MET 184 Ca 0.00 -0.17 0.02 0.00 -0.28 0.00 0.00 59.70 59.27 1ui6 h MET 184 Cb 1.07 -0.02 -0.05 0.00 -0.80 0.00 0.00 31.60 31.80 1ui6 h MET 184 CO 0.09 0.68 0.62 -1.49 0.23 0.00 0.00 176.91 177.05 1ui6 h TRP 185 N 0.15 1.18 -0.62 1.39 4.06 -0.76 -1.82 115.95 119.53 1ui6 h TRP 185 Ca 0.05 0.03 0.03 0.00 2.06 0.00 0.00 58.89 61.06 1ui6 h TRP 185 Cb 0.54 -0.40 -0.04 0.00 -1.00 0.00 0.00 29.16 28.26 1ui6 h TRP 185 CO 0.06 0.72 0.37 1.88 -3.56 0.00 0.00 178.44 177.91 1ui6 h TYR 186 N 1.25 0.69 -0.17 0.49 0.05 -0.58 0.19 116.97 118.90 1ui6 h TYR 186 Ca 0.35 0.02 -0.02 0.00 0.05 0.00 0.00 58.73 59.13 1ui6 h TYR 186 Cb -0.10 -0.22 -0.01 0.00 1.01 0.00 0.00 36.73 37.41 1ui6 h TYR 186 CO -0.00 0.38 0.01 0.82 -1.05 0.00 0.00 178.16 178.32 1ui6 h ILE 187 N 0.72 1.24 -0.48 -2.88 2.04 -1.19 -0.02 117.51 116.93 1ui6 h ILE 187 Ca 0.25 -0.78 -0.02 0.00 1.00 0.00 0.00 64.86 65.31 1ui6 h ILE 187 Cb 0.06 1.44 -0.02 0.00 -0.74 0.00 0.00 36.82 37.55 1ui6 h ILE 187 CO -0.12 0.24 0.22 -0.07 0.00 0.00 0.00 178.15 178.41 1ui6 h LEU 188 N 0.05 0.60 -0.12 1.44 3.38 -1.00 -1.56 115.31 118.10 1ui6 h LEU 188 Ca 0.05 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 1ui6 h LEU 188 Cb 0.34 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 1ui6 h LEU 188 CO 0.01 0.53 -0.04 0.40 0.09 0.00 0.00 178.44 179.43 1ui6 h ILE 189 N 0.67 1.30 -0.76 1.22 2.04 0.05 0.31 117.51 122.34 1ui6 h ILE 189 Ca 0.17 -1.00 0.02 0.00 1.00 0.00 0.00 64.86 65.05 1ui6 h ILE 189 Cb 0.09 1.72 -0.04 0.00 -0.74 0.00 0.00 36.82 37.85 1ui6 h ILE 189 CO -0.02 0.29 0.50 0.03 0.00 0.00 0.00 178.15 178.94 1ui6 h ARG 190 N -0.09 0.93 0.00 2.37 3.08 -0.77 -1.53 114.38 118.37 1ui6 h ARG 190 Ca 0.03 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.02 1ui6 h ARG 190 Cb 0.46 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 30.30 1ui6 h ARG 190 CO 0.01 0.62 -0.64 0.41 -1.07 0.00 0.00 179.97 179.30 1ui6 n GLY 191 N -1.42 -1.20 0.00 0.04 0.00 -0.61 -4.37 105.19 97.63 1ui6 n GLY 191 Ca 0.09 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.71 1ui6 n GLY 191 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1ui6 n MET 192 N -1.54 2.86 -3.91 1.61 0.00 0.05 -5.01 117.12 111.18 1ui6 n MET 192 Ca 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 57.70 57.40 1ui6 n MET 192 Cb 0.34 -0.26 -0.09 0.00 0.00 0.00 0.00 33.22 33.21 1ui6 n MET 192 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 1ui6 s VAL 193 N -0.44 4.96 0.42 3.17 1.01 -0.58 -1.39 120.40 127.55 1ui6 s VAL 193 Ca 0.00 0.03 -0.25 0.00 0.00 0.00 0.00 61.98 61.76 1ui6 s VAL 193 Cb 0.00 -3.25 -0.10 0.00 0.00 0.00 0.00 36.38 33.03 1ui6 s VAL 193 CO 0.00 0.45 1.16 -2.65 0.00 0.00 0.00 175.10 174.06 1ui6 n PRO 194 N 3.59 1.67 -0.33 2.72 -0.02 -1.26 -4.76 135.00 136.61 1ui6 n PRO 194 Ca -0.16 0.60 0.06 0.00 -2.02 0.00 0.00 63.50 61.98 1ui6 n PRO 194 Cb 0.52 -2.23 0.15 0.00 -0.02 0.00 0.00 33.50 31.92 1ui6 n PRO 194 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1ui6 h VAL 195 N 1.84 0.07 0.00 -1.45 2.07 -1.95 -0.96 116.25 115.87 1ui6 h VAL 195 Ca -0.46 -0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.06 1ui6 h VAL 195 Cb 1.31 0.06 0.00 0.00 -1.52 0.00 0.00 31.29 31.15 1ui6 h VAL 195 CO 0.59 0.00 0.00 0.41 0.02 0.00 0.00 177.57 178.59 1ui6 n THR 196 N -5.57 0.92 0.30 2.57 -1.04 -1.26 -2.87 114.28 107.33 1ui6 n THR 196 Ca 0.16 0.26 0.04 0.00 -2.04 0.00 0.00 64.05 62.47 1ui6 n THR 196 Cb 0.51 -1.15 0.03 0.00 -1.82 0.00 0.00 70.33 67.90 1ui6 n THR 196 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1ui6 n ARG 197 N -2.01 0.17 0.04 -2.82 5.12 -0.39 -4.70 116.66 112.08 1ui6 n ARG 197 Ca 0.02 -0.90 -0.13 0.00 -1.93 0.00 0.00 57.85 54.92 1ui6 n ARG 197 Cb 0.20 -1.13 -0.08 0.00 -1.16 0.00 0.00 32.46 30.29 1ui6 n ARG 197 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1ui6 h ARG 198 N 1.37 -0.07 -0.77 5.56 3.08 -1.34 -3.28 114.38 118.93 1ui6 h ARG 198 Ca 0.00 0.00 0.12 0.00 0.07 0.00 0.00 59.98 60.17 1ui6 h ARG 198 Cb 0.30 0.02 -0.08 0.00 0.08 0.00 0.00 29.97 30.28 1ui6 h ARG 198 CO 0.00 0.17 0.38 0.00 -1.07 0.00 0.00 179.97 179.45 1ui6 h ALA 199 N 0.62 1.11 -0.80 0.04 0.00 -1.84 0.22 119.26 118.59 1ui6 h ALA 199 Ca -0.01 0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.00 1ui6 h ALA 199 Cb 0.28 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 1ui6 h ALA 199 CO 0.01 -0.07 0.53 -0.09 0.00 0.00 0.00 179.25 179.64 1ui6 h ARG 200 N 0.60 1.00 0.17 0.00 2.43 -1.90 -0.16 114.38 116.52 1ui6 h ARG 200 Ca 0.40 -0.06 -0.30 0.00 -0.81 0.00 0.00 59.98 59.21 1ui6 h ARG 200 Cb 0.49 -0.23 0.03 0.00 -0.42 0.00 0.00 29.97 29.85 1ui6 h ARG 200 CO -0.32 0.66 -1.28 1.88 -1.51 0.00 0.00 179.97 179.40 1ui6 h TYR 201 N 1.03 0.97 -0.77 2.20 0.05 -0.77 -1.75 116.97 117.92 1ui6 h TYR 201 Ca 0.31 -0.65 0.03 0.00 0.05 0.00 0.00 58.73 58.48 1ui6 h TYR 201 Cb -0.02 -0.06 -0.05 0.00 1.01 0.00 0.00 36.73 37.61 1ui6 h TYR 201 CO -0.00 1.49 0.49 0.28 -1.05 0.00 0.00 178.16 179.37 1ui6 h VAL 202 N 0.17 1.11 -0.39 -2.88 2.07 -0.72 0.08 116.25 115.68 1ui6 h VAL 202 Ca -0.21 -0.33 -0.00 0.00 0.82 0.00 0.00 66.70 66.98 1ui6 h VAL 202 Cb 1.97 0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 31.80 1ui6 h VAL 202 CO 0.24 0.17 0.24 0.74 0.02 0.00 0.00 177.57 178.98 1ui6 h THR 203 N 0.95 1.13 -0.49 2.57 2.02 -0.96 -2.13 112.91 116.00 1ui6 h THR 203 Ca 0.31 -0.29 -0.10 0.00 0.77 0.00 0.00 66.41 67.11 1ui6 h THR 203 Cb 0.03 0.61 -0.02 0.00 -1.74 0.00 0.00 68.15 67.03 1ui6 h THR 203 CO -0.12 0.13 -0.07 0.25 0.37 0.00 0.00 175.52 176.08 1ui6 h LEU 204 N 0.51 0.91 -1.11 2.58 5.85 -0.74 -0.72 115.31 122.58 1ui6 h LEU 204 Ca 0.14 -0.34 0.07 0.00 0.84 0.00 0.00 57.88 58.59 1ui6 h LEU 204 Cb -0.00 -0.25 -0.06 0.00 0.37 0.00 0.00 40.66 40.72 1ui6 h LEU 204 CO -0.03 1.03 0.60 0.00 -0.34 0.00 0.00 178.44 179.71 1ui6 h ALA 205 N 0.91 1.49 -0.33 1.25 0.00 -0.79 0.10 119.26 121.89 1ui6 h ALA 205 Ca 0.13 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 1ui6 h ALA 205 Cb 0.61 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1ui6 h ALA 205 CO 0.04 0.37 -0.07 0.00 0.00 0.00 0.00 179.25 179.59 1ui6 h ALA 206 N 1.50 0.45 -0.66 0.00 0.00 -0.82 -0.84 119.26 118.88 1ui6 h ALA 206 Ca 0.40 -0.29 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 1ui6 h ALA 206 Cb 0.20 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1ui6 h ALA 206 CO -0.15 0.28 0.09 -0.09 0.00 0.00 0.00 179.25 179.37 1ui6 h ARG 207 N 0.40 1.10 -0.31 0.00 2.43 -0.70 -0.36 114.38 116.95 1ui6 h ARG 207 Ca 0.08 -0.30 -0.18 0.00 -0.81 0.00 0.00 59.98 58.77 1ui6 h ARG 207 Cb 0.56 -0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 29.99 1ui6 h ARG 207 CO 0.03 1.02 -0.50 -0.07 -1.51 0.00 0.00 179.97 178.94 1ui6 h LEU 208 N 1.03 0.96 -1.04 3.80 3.38 -0.79 0.42 115.31 123.07 1ui6 h LEU 208 Ca 0.20 -0.49 -0.05 0.00 0.09 0.00 0.00 57.88 57.63 1ui6 h LEU 208 Cb 0.46 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 1ui6 h LEU 208 CO 0.02 1.29 0.13 1.05 0.09 0.00 0.00 178.44 181.01 1ui6 h GLU 209 N 0.68 0.82 -0.09 1.13 -0.00 -0.95 -2.00 114.58 114.18 1ui6 h GLU 209 Ca 0.03 -0.16 -0.12 0.00 -0.00 0.00 0.00 59.36 59.10 1ui6 h GLU 209 Cb 1.10 -0.12 -0.01 0.00 -0.00 0.00 0.00 28.75 29.71 1ui6 h GLU 209 CO 0.11 0.74 -0.50 1.96 -0.00 0.00 0.00 179.01 181.32 1ui6 h GLN 210 N 0.79 0.23 -0.00 1.06 4.20 -0.43 -2.76 115.11 118.20 1ui6 h GLN 210 Ca 0.17 -0.13 0.00 0.00 0.06 0.00 0.00 58.65 58.75 1ui6 h GLN 210 Cb 0.29 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.08 1ui6 h GLN 210 CO -0.00 0.68 -0.18 0.39 -0.67 0.00 0.00 178.83 179.05 1ui6 n GLU 211 N -3.95 0.60 0.00 1.46 1.02 0.14 -5.07 120.64 114.83 1ui6 n GLU 211 Ca -0.02 -0.26 0.00 0.00 -0.02 0.00 0.00 57.16 56.86 1ui6 n GLU 211 Cb 0.54 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.47 1ui6 n GLU 211 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56