#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x9f n GLU 4 N 0.00 0.57 -0.10 -0.41 4.71 -1.26 -2.23 120.64 121.92 1x9f n GLU 4 Ca 0.00 0.03 0.08 0.00 -0.01 0.00 0.00 57.16 57.26 1x9f n GLU 4 Cb 0.00 -1.50 0.12 0.00 -1.01 0.00 0.00 31.44 29.05 1x9f n GLU 4 CO 0.00 0.00 0.00 0.72 0.09 0.00 0.00 177.13 177.94 1x9f n HIS 5 N -1.11 0.26 -3.73 -0.32 8.25 -1.26 -4.39 115.22 112.92 1x9f n HIS 5 Ca 0.15 -0.20 -0.37 0.00 -0.26 0.00 0.00 57.72 57.04 1x9f n HIS 5 Cb 0.12 -0.01 -0.12 0.00 1.12 0.00 0.00 29.99 31.10 1x9f n HIS 5 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1x9f n SER 8 N -2.46 -1.06 0.22 0.00 3.41 -1.26 -4.61 113.62 107.86 1x9f n SER 8 Ca -0.12 -1.02 -0.16 0.00 -0.26 0.00 0.00 58.87 57.31 1x9f n SER 8 Cb 0.59 -0.58 -0.08 0.00 -0.26 0.00 0.00 64.21 63.88 1x9f n SER 8 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1x9f h GLU 9 N 0.00 -0.77 -0.73 4.33 4.39 -1.93 -0.46 114.58 119.41 1x9f h GLU 9 Ca -0.24 0.05 -0.05 0.00 0.34 0.00 0.00 59.36 59.47 1x9f h GLU 9 Cb 0.71 0.18 -0.03 0.00 -0.10 0.00 0.00 28.75 29.50 1x9f h GLU 9 CO 0.16 -0.52 0.27 0.93 -1.16 0.00 0.00 179.01 178.70 1x9f h GLU 10 N -0.80 1.10 -0.33 2.33 4.39 -1.99 -2.16 114.58 117.12 1x9f h GLU 10 Ca -0.02 -0.21 0.07 0.00 0.34 0.00 0.00 59.36 59.54 1x9f h GLU 10 Cb 0.74 -0.17 -0.08 0.00 -0.10 0.00 0.00 28.75 29.13 1x9f h GLU 10 CO -0.12 0.91 -0.31 -0.44 -1.16 0.00 0.00 179.01 177.89 1x9f h ASP 11 N 1.05 -1.03 0.64 1.42 3.45 -1.83 0.33 116.42 120.45 1x9f h ASP 11 Ca 0.24 0.18 -0.11 0.00 0.43 0.00 0.00 57.03 57.76 1x9f h ASP 11 Cb 0.24 0.47 -0.02 0.00 -0.56 0.00 0.00 39.33 39.47 1x9f h ASP 11 CO -0.02 -0.32 -0.53 1.12 -1.57 0.00 0.00 179.24 177.92 1x9f h HIS 12 N -0.28 0.00 -0.71 4.55 2.07 -0.93 -2.09 115.15 117.77 1x9f h HIS 12 Ca 0.15 0.00 -0.07 0.00 -2.85 0.00 0.00 60.37 57.61 1x9f h HIS 12 Cb 0.53 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 30.48 1x9f h HIS 12 CO -0.50 0.53 0.17 -0.09 -3.07 0.00 0.00 177.93 174.98 1x9f h ARG 13 N 0.00 1.13 -0.06 5.12 2.43 -0.89 -0.92 114.38 121.18 1x9f h ARG 13 Ca -0.01 -0.27 -0.00 0.00 -0.81 0.00 0.00 59.98 58.89 1x9f h ARG 13 Cb 1.00 -0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 30.40 1x9f h ARG 13 CO 0.07 0.99 0.02 0.82 -1.51 0.00 0.00 179.97 180.36 1x9f h ILE 14 N 1.07 1.15 -0.15 1.20 1.08 -0.57 -2.17 117.51 119.12 1x9f h ILE 14 Ca 0.22 -0.45 0.04 0.00 -0.39 0.00 0.00 64.86 64.28 1x9f h ILE 14 Cb 0.37 1.33 -0.04 0.00 -3.07 0.00 0.00 36.82 35.42 1x9f h ILE 14 CO 0.00 0.13 -0.10 0.58 -0.69 0.00 0.00 178.15 178.07 1x9f h VAL 15 N -0.07 0.71 -0.43 1.67 2.07 -1.26 -0.58 116.25 118.36 1x9f h VAL 15 Ca 0.02 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.55 1x9f h VAL 15 Cb 0.18 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 30.64 1x9f h VAL 15 CO -0.00 0.00 0.28 1.56 0.02 0.00 0.00 177.57 179.42 1x9f h GLN 16 N -0.09 0.54 -0.22 1.57 4.20 -1.15 0.96 115.11 120.91 1x9f h GLN 16 Ca 0.09 -0.03 0.01 0.00 0.06 0.00 0.00 58.65 58.78 1x9f h GLN 16 Cb 0.23 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.87 1x9f h GLN 16 CO -0.21 0.36 0.12 -0.22 -0.67 0.00 0.00 178.83 178.21 1x9f h LYS 17 N 0.56 0.24 -0.32 1.46 3.64 -1.14 0.21 116.57 121.21 1x9f h LYS 17 Ca 0.16 -0.01 -0.13 0.00 -1.27 0.00 0.00 60.65 59.40 1x9f h LYS 17 Cb -0.04 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.72 1x9f h LYS 17 CO -0.05 0.16 -0.31 1.96 -2.27 0.00 0.00 179.45 178.94 1x9f h GLN 18 N 0.25 0.69 0.03 1.90 4.20 -0.78 -3.10 115.11 118.30 1x9f h GLN 18 Ca 0.09 -0.31 -0.00 0.00 0.06 0.00 0.00 58.65 58.49 1x9f h GLN 18 Cb 0.01 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.78 1x9f h GLN 18 CO -0.05 0.91 -0.01 2.35 -0.67 0.00 0.00 178.83 181.36 1x9f h TRP 19 N 0.59 -0.04 -1.23 2.96 2.91 -0.72 -3.14 115.95 117.28 1x9f h TRP 19 Ca 0.07 -0.00 0.43 0.00 1.13 0.00 0.00 58.89 60.52 1x9f h TRP 19 Cb 0.82 0.01 -0.15 0.00 -0.51 0.00 0.00 29.16 29.34 1x9f h TRP 19 CO 0.04 0.29 0.76 -0.44 -1.03 0.00 0.00 178.44 178.06 1x9f h ASP 20 N -0.36 0.28 -0.66 2.65 3.32 -0.87 -0.59 116.42 120.18 1x9f h ASP 20 Ca -0.00 0.18 0.14 0.00 0.02 0.00 0.00 57.03 57.37 1x9f h ASP 20 Cb 0.34 0.17 -0.04 0.00 0.22 0.00 0.00 39.33 40.02 1x9f h ASP 20 CO 0.01 -0.26 0.45 0.40 -1.72 0.00 0.00 179.24 178.12 1x9f h ILE 21 N 0.07 0.79 0.00 0.35 2.04 -1.53 -0.81 117.51 118.42 1x9f h ILE 21 Ca 0.83 -0.09 0.00 0.00 1.00 0.00 0.00 64.86 66.60 1x9f h ILE 21 Cb 2.47 0.50 0.00 0.00 -0.74 0.00 0.00 36.82 39.05 1x9f h ILE 21 CO -0.53 0.05 0.00 0.18 0.00 0.00 0.00 178.15 177.85 1x9f n LEU 22 N -4.44 0.59 -0.30 1.44 4.77 -0.23 -2.83 117.00 116.00 1x9f n LEU 22 Ca 0.12 0.72 0.09 0.00 -0.03 0.00 0.00 56.01 56.91 1x9f n LEU 22 Cb 0.54 -0.73 0.17 0.00 -2.33 0.00 0.00 43.42 41.07 1x9f n LEU 22 CO 0.34 -0.79 0.59 0.79 -1.33 0.00 0.00 177.39 176.99 1x9f n TRP 23 N -2.23 0.22 -0.26 -1.77 7.02 -0.31 -4.60 117.44 115.52 1x9f n TRP 23 Ca -0.00 -1.02 0.16 0.00 -1.02 0.00 0.00 57.50 55.62 1x9f n TRP 23 Cb 0.11 -0.20 0.45 0.00 -2.42 0.00 0.00 31.31 29.25 1x9f n TRP 23 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1x9f h ARG 24 N 0.46 0.52 -6.20 -0.99 2.47 -1.61 -3.42 114.38 105.61 1x9f h ARG 24 Ca 0.01 -0.03 -0.51 0.00 -1.26 0.00 0.00 59.98 58.18 1x9f h ARG 24 Cb 1.11 -0.12 -0.05 0.00 -1.65 0.00 0.00 29.97 29.26 1x9f h ARG 24 CO 0.06 0.34 -0.53 0.16 0.56 0.00 0.00 179.97 180.56 1x9f s ASP 25 N -5.68 5.50 0.29 7.04 3.84 -1.26 -5.04 116.67 121.37 1x9f s ASP 25 Ca -0.09 -0.25 0.26 0.00 -0.00 0.00 0.00 52.55 52.46 1x9f s ASP 25 Cb 0.23 -1.40 0.76 0.00 -1.38 0.00 0.00 42.92 41.13 1x9f s ASP 25 CO 0.79 -0.03 1.74 0.71 -0.00 0.00 0.00 175.17 178.38 1x9f h THR 26 N 1.53 0.00 -1.22 2.11 1.35 -1.97 -3.30 112.91 111.42 1x9f h THR 26 Ca -0.48 -0.57 -0.55 0.00 -0.55 0.00 0.00 66.41 64.26 1x9f h THR 26 Cb 1.24 1.54 -0.19 0.00 -1.73 0.00 0.00 68.15 69.00 1x9f h THR 26 CO 0.61 0.00 0.55 -0.62 -0.25 0.00 0.00 175.52 175.81 1x9f n GLU 27 N -2.51 2.53 -0.25 4.72 -0.58 -1.26 -4.64 120.64 118.65 1x9f n GLU 27 Ca 0.04 -2.57 0.01 0.00 -0.42 0.00 0.00 57.16 54.22 1x9f n GLU 27 Cb 0.42 -2.18 0.23 0.00 -0.57 0.00 0.00 31.44 29.34 1x9f n GLU 27 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 1x9f h SER 28 N 3.05 0.91 -0.40 1.62 4.64 -1.92 -2.57 113.55 118.89 1x9f h SER 28 Ca 0.43 -0.02 0.07 0.00 -0.47 0.00 0.00 61.79 61.80 1x9f h SER 28 Cb 0.60 -0.22 -0.06 0.00 -0.31 0.00 0.00 62.40 62.41 1x9f h SER 28 CO 0.98 0.65 0.03 0.77 -0.87 0.00 0.00 176.83 178.39 1x9f h SER 29 N 1.07 -0.09 -0.62 4.97 4.64 -1.94 0.47 113.55 122.04 1x9f h SER 29 Ca 0.31 0.08 0.11 0.00 -0.47 0.00 0.00 61.79 61.82 1x9f h SER 29 Cb -0.07 0.13 -0.08 0.00 -0.31 0.00 0.00 62.40 62.07 1x9f h SER 29 CO -0.08 -0.01 0.17 0.50 -0.87 0.00 0.00 176.83 176.55 1x9f h LYS 30 N 0.15 0.31 -0.18 4.77 1.63 -1.85 0.14 116.57 121.54 1x9f h LYS 30 Ca 0.19 -0.02 -0.06 0.00 -0.85 0.00 0.00 60.65 59.91 1x9f h LYS 30 Cb 0.26 -0.07 -0.00 0.00 -0.60 0.00 0.00 32.23 31.82 1x9f h LYS 30 CO -0.29 0.20 -0.14 0.82 -3.45 0.00 0.00 179.45 176.59 1x9f h ILE 31 N 0.32 1.33 -0.20 2.00 2.04 -1.16 -1.92 117.51 119.91 1x9f h ILE 31 Ca 0.33 -1.27 0.03 0.00 1.00 0.00 0.00 64.86 64.95 1x9f h ILE 31 Cb 0.47 1.77 -0.03 0.00 -0.74 0.00 0.00 36.82 38.29 1x9f h ILE 31 CO -0.38 0.38 -0.01 0.11 0.00 0.00 0.00 178.15 178.25 1x9f h LYS 32 N 0.07 0.05 -0.02 2.37 1.57 0.29 -1.18 116.57 119.71 1x9f h LYS 32 Ca 0.03 -0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1x9f h LYS 32 Cb 0.66 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.96 1x9f h LYS 32 CO 0.04 0.03 0.01 0.82 -0.57 0.00 0.00 179.45 179.78 1x9f h ILE 33 N 0.05 1.13 -0.16 1.86 2.04 -0.76 0.98 117.51 122.66 1x9f h ILE 33 Ca 0.09 -0.40 0.03 0.00 1.00 0.00 0.00 64.86 65.59 1x9f h ILE 33 Cb 0.12 1.36 -0.03 0.00 -0.74 0.00 0.00 36.82 37.54 1x9f h ILE 33 CO -0.17 0.11 -0.02 1.23 0.00 0.00 0.00 178.15 179.30 1x9f h GLY 34 N -0.12 0.13 0.57 5.37 0.00 -1.32 0.13 103.07 107.83 1x9f h GLY 34 Ca 0.01 0.03 -0.01 0.00 0.00 0.00 0.00 47.33 47.36 1x9f h GLY 34 CO -0.00 -0.04 -0.02 -2.75 0.00 0.00 0.00 176.54 173.73 1x9f h PHE 35 N 0.03 0.07 -0.35 5.60 3.57 -1.15 -1.25 116.94 123.45 1x9f h PHE 35 Ca 0.07 -0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.57 1x9f h PHE 35 Cb 0.10 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 38.80 1x9f h PHE 35 CO -0.17 0.51 0.21 0.78 -2.23 0.00 0.00 178.31 177.41 1x9f h GLY 36 N -0.39 0.49 0.60 2.40 0.00 -0.78 -0.84 103.07 104.55 1x9f h GLY 36 Ca 0.00 -0.16 0.07 0.00 0.00 0.00 0.00 47.33 47.25 1x9f h GLY 36 CO 0.01 0.14 0.38 -0.09 0.00 0.00 0.00 176.54 176.97 1x9f h ARG 37 N 0.42 0.65 -0.31 4.80 1.12 -0.75 -1.58 114.38 118.74 1x9f h ARG 37 Ca 0.14 -0.04 -0.01 0.00 -1.11 0.00 0.00 59.98 58.96 1x9f h ARG 37 Cb -0.00 -0.15 -0.01 0.00 -0.01 0.00 0.00 29.97 29.80 1x9f h ARG 37 CO -0.06 0.43 0.17 1.25 -3.11 0.00 0.00 179.97 178.66 1x9f h LEU 38 N 0.67 0.39 -0.37 3.80 5.85 -0.64 -1.75 115.31 123.26 1x9f h LEU 38 Ca 0.33 -0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.96 1x9f h LEU 38 Cb 0.26 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 1x9f h LEU 38 CO -0.22 0.36 0.23 -0.07 -0.34 0.00 0.00 178.44 178.40 1x9f h LEU 39 N 0.39 0.45 -0.29 2.25 3.38 -0.57 -1.61 115.31 119.31 1x9f h LEU 39 Ca 0.11 -0.05 -0.20 0.00 0.09 0.00 0.00 57.88 57.83 1x9f h LEU 39 Cb 0.06 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.69 1x9f h LEU 39 CO -0.02 0.37 -0.68 -0.07 0.09 0.00 0.00 178.44 178.13 1x9f h LEU 40 N 0.49 0.82 -0.65 1.67 3.38 -1.30 -1.84 115.31 117.89 1x9f h LEU 40 Ca 0.13 -0.50 0.05 0.00 0.09 0.00 0.00 57.88 57.65 1x9f h LEU 40 Cb 0.00 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.46 1x9f h LEU 40 CO -0.03 1.28 0.36 0.74 0.09 0.00 0.00 178.44 180.89 1x9f h THR 41 N 0.51 0.99 -0.45 0.22 2.02 -1.23 0.79 112.91 115.75 1x9f h THR 41 Ca -0.02 -0.23 -0.10 0.00 0.77 0.00 0.00 66.41 66.83 1x9f h THR 41 Cb 1.29 0.24 -0.02 0.00 -1.74 0.00 0.00 68.15 67.92 1x9f h THR 41 CO 0.14 0.12 -0.10 0.50 0.37 0.00 0.00 175.52 176.55 1x9f h LYS 42 N 0.68 0.82 -0.46 6.66 1.63 -1.22 -1.82 116.57 122.85 1x9f h LYS 42 Ca 0.28 -0.27 -0.04 0.00 -0.85 0.00 0.00 60.65 59.77 1x9f h LYS 42 Cb 0.15 -0.07 -0.02 0.00 -0.60 0.00 0.00 32.23 31.70 1x9f h LYS 42 CO -0.17 0.89 0.14 1.25 -3.45 0.00 0.00 179.45 178.11 1x9f h LEU 43 N 0.74 0.67 -1.38 5.20 5.85 -0.42 -2.27 115.31 123.71 1x9f h LEU 43 Ca 0.12 -0.21 -0.04 0.00 0.84 0.00 0.00 57.88 58.59 1x9f h LEU 43 Cb 0.60 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.44 1x9f h LEU 43 CO 0.04 0.70 -0.06 0.00 -0.34 0.00 0.00 178.44 178.78 1x9f h ALA 44 N 0.99 1.49 -0.46 1.25 0.00 -0.70 -0.60 119.26 121.24 1x9f h ALA 44 Ca 0.15 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 1x9f h ALA 44 Cb 0.27 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1x9f h ALA 44 CO -0.00 0.36 -0.02 -0.22 0.00 0.00 0.00 179.25 179.37 1x9f h LYS 45 N 0.32 0.82 0.05 0.00 1.63 -1.00 -3.01 116.57 115.37 1x9f h LYS 45 Ca 0.07 -0.27 -0.26 0.00 -0.85 0.00 0.00 60.65 59.34 1x9f h LYS 45 Cb 0.32 -0.07 -0.02 0.00 -0.60 0.00 0.00 32.23 31.86 1x9f h LYS 45 CO 0.01 0.88 -1.32 -0.44 -3.45 0.00 0.00 179.45 175.14 1x9f h ASP 46 N 0.67 0.15 -3.61 4.20 3.45 -1.09 -3.40 116.42 116.79 1x9f h ASP 46 Ca 0.13 -0.20 -0.62 0.00 0.43 0.00 0.00 57.03 56.77 1x9f h ASP 46 Cb 0.52 -0.05 -0.40 0.00 -0.56 0.00 0.00 39.33 38.84 1x9f h ASP 46 CO 0.03 1.16 -0.72 -0.63 -1.57 0.00 0.00 179.24 177.51 1x9f s ILE 47 N -2.66 1.61 0.41 0.35 1.01 -0.26 -5.02 121.20 116.64 1x9f s ILE 47 Ca -0.03 -2.72 0.20 0.00 0.00 0.00 0.00 60.65 58.10 1x9f s ILE 47 Cb 0.08 -2.12 0.41 0.00 0.01 0.00 0.00 42.46 40.84 1x9f s ILE 47 CO 0.84 -0.89 1.77 1.55 0.00 0.00 0.00 174.94 178.21 1x9f h PRO 48 N 6.65 0.33 -0.18 2.79 0.13 -1.74 -1.39 132.00 138.58 1x9f h PRO 48 Ca -0.01 -0.02 0.05 0.00 -0.87 0.00 0.00 66.00 65.15 1x9f h PRO 48 Cb 0.92 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 31.97 1x9f h PRO 48 CO 0.52 0.22 0.19 1.05 -0.23 0.00 0.00 178.00 179.75 1x9f h GLU 49 N 0.34 0.00 -0.50 0.86 4.11 -1.95 -2.24 114.58 115.21 1x9f h GLU 49 Ca 0.60 0.00 0.07 0.00 0.07 0.00 0.00 59.36 60.10 1x9f h GLU 49 Cb 1.62 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.84 1x9f h GLU 49 CO -0.28 0.00 0.33 0.28 0.07 0.00 0.00 179.01 179.41 1x9f h VAL 50 N 0.00 0.94 -0.55 -1.06 2.07 -1.55 -2.36 116.25 113.74 1x9f h VAL 50 Ca 0.08 -0.13 0.09 0.00 0.82 0.00 0.00 66.70 67.57 1x9f h VAL 50 Cb 0.47 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 30.74 1x9f h VAL 50 CO -0.00 0.07 0.37 0.78 0.02 0.00 0.00 177.57 178.81 1x9f h ASN 51 N 0.38 0.32 -0.18 0.57 2.35 -1.62 -1.00 115.58 116.39 1x9f h ASN 51 Ca 0.22 0.01 -0.19 0.00 -0.55 0.00 0.00 56.30 55.79 1x9f h ASN 51 Cb 0.39 -0.06 0.01 0.00 0.05 0.00 0.00 38.32 38.70 1x9f h ASN 51 CO -0.05 0.19 -0.62 0.44 -1.65 0.00 0.00 177.43 175.74 1x9f h ASP 52 N 0.36 0.87 -0.54 5.81 3.45 -1.63 -3.09 116.42 121.65 1x9f h ASP 52 Ca 0.25 -0.60 0.10 0.00 0.43 0.00 0.00 57.03 57.21 1x9f h ASP 52 Cb 0.52 -0.25 -0.03 0.00 -0.56 0.00 0.00 39.33 39.01 1x9f h ASP 52 CO -0.06 1.32 0.36 -0.07 -1.57 0.00 0.00 179.24 179.22 1x9f h LEU 53 N 0.47 0.29 -3.57 1.55 3.38 -1.17 -1.56 115.31 114.70 1x9f h LEU 53 Ca -0.03 0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.84 1x9f h LEU 53 Cb 1.25 -0.05 -0.07 0.00 0.09 0.00 0.00 40.66 41.88 1x9f h LEU 53 CO 0.13 0.17 0.12 0.49 0.09 0.00 0.00 178.44 179.45 1x9f n PHE 54 N -4.46 1.95 -0.32 1.13 3.01 -0.84 -4.57 117.46 113.35 1x9f n PHE 54 Ca 0.09 -1.04 -0.01 0.00 1.01 0.00 0.00 57.45 57.49 1x9f n PHE 54 Cb 0.38 -0.55 0.11 0.00 -0.01 0.00 0.00 39.48 39.41 1x9f n PHE 54 CO 0.00 0.00 0.00 -0.22 1.01 0.00 0.00 176.76 177.55 1x9f h LYS 55 N 2.71 1.08 0.00 -1.08 3.64 -1.20 -2.42 116.57 119.30 1x9f h LYS 55 Ca 0.14 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.44 1x9f h LYS 55 Cb 2.02 -0.24 -0.00 0.00 -0.41 0.00 0.00 32.23 33.59 1x9f h LYS 55 CO 0.55 0.71 -0.06 -0.09 -2.27 0.00 0.00 179.45 178.29 1x9f h ARG 56 N 1.11 0.00 -0.44 1.90 1.12 -1.82 -2.24 114.38 114.02 1x9f h ARG 56 Ca 0.35 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 59.22 1x9f h ARG 56 Cb -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 29.96 1x9f h ARG 56 CO -0.12 0.06 0.00 1.33 -3.11 0.00 0.00 179.97 178.13 1x9f n VAL 57 N -3.96 0.86 -3.14 0.20 0.24 -0.97 -4.99 118.33 106.56 1x9f n VAL 57 Ca -0.03 -0.93 -0.14 0.00 -2.04 0.00 0.00 64.34 61.20 1x9f n VAL 57 Cb 0.15 0.62 0.07 0.00 -1.47 0.00 0.00 33.84 33.20 1x9f n VAL 57 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1x9f n ASP 58 N 0.96 -2.66 0.25 -1.34 2.03 -0.84 -2.06 116.55 112.89 1x9f n ASP 58 Ca 0.16 -0.46 0.17 0.00 0.52 0.00 0.00 54.79 55.18 1x9f n ASP 58 Cb 0.49 -4.03 0.90 0.00 -0.72 0.00 0.00 41.12 37.75 1x9f n ASP 58 CO 0.00 0.00 0.00 -0.29 -1.92 0.00 0.00 177.20 174.99 1x9f h ILE 59 N -1.57 0.38 -0.54 5.18 2.10 -1.76 -1.44 117.51 119.85 1x9f h ILE 59 Ca -0.45 0.00 0.16 0.00 1.08 0.00 0.00 64.86 65.65 1x9f h ILE 59 Cb 1.26 0.87 -0.02 0.00 -1.09 0.00 0.00 36.82 37.85 1x9f h ILE 59 CO 0.39 0.00 0.39 -0.08 -1.08 0.00 0.00 178.15 177.77 1x9f h GLU 60 N 0.00 0.00 -2.22 2.19 4.81 -1.89 -2.35 114.58 115.11 1x9f h GLU 60 Ca 0.05 0.00 -0.59 0.00 -0.13 0.00 0.00 59.36 58.70 1x9f h GLU 60 Cb 0.35 0.00 -0.42 0.00 0.63 0.00 0.00 28.75 29.31 1x9f h GLU 60 CO -0.00 0.00 -0.68 0.72 -0.73 0.00 0.00 179.01 178.32 1x9f n HIS 61 N -4.37 3.49 -0.42 0.92 8.25 -0.54 -4.95 115.22 117.59 1x9f n HIS 61 Ca 0.10 -4.03 0.40 0.00 -0.26 0.00 0.00 57.72 53.94 1x9f n HIS 61 Cb 0.62 -0.50 0.75 0.00 1.12 0.00 0.00 29.99 31.98 1x9f n HIS 61 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1x9f h ALA 62 N 3.44 3.32 0.00 -1.41 0.00 -1.53 0.80 119.26 123.88 1x9f h ALA 62 Ca 0.15 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1x9f h ALA 62 Cb 0.60 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1x9f h ALA 62 CO 0.79 -1.79 -0.24 -0.85 0.00 0.00 0.00 179.25 177.16 1x9f n GLU 63 N -3.99 0.27 -1.00 0.00 0.00 -1.26 -4.27 120.64 110.39 1x9f n GLU 63 Ca 0.31 0.16 -0.30 0.00 0.00 0.00 0.00 57.16 57.33 1x9f n GLU 63 Cb 1.51 -1.76 0.14 0.00 0.00 0.00 0.00 31.44 31.33 1x9f n GLU 63 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.13 177.33 1x9f s GLY 64 N -3.60 1.65 0.37 -1.84 0.00 0.28 -4.80 107.32 99.38 1x9f s GLY 64 Ca 0.09 0.26 0.05 0.00 0.00 0.00 0.00 44.72 45.12 1x9f s GLY 64 CO 0.64 0.70 2.00 -0.56 0.00 0.00 0.00 173.10 175.88 1x9f h PRO 65 N -1.61 0.72 0.50 2.90 0.13 -1.92 -1.58 132.00 131.14 1x9f h PRO 65 Ca -0.46 -0.04 -0.02 0.00 -0.87 0.00 0.00 66.00 64.60 1x9f h PRO 65 Cb 1.26 -0.16 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1x9f h PRO 65 CO 0.49 0.48 -0.24 0.87 -0.23 0.00 0.00 178.00 179.36 1x9f h LYS 66 N 0.74 -0.65 0.00 0.86 1.79 -1.91 -1.24 116.57 116.16 1x9f h LYS 66 Ca 0.26 0.04 -0.14 0.00 -2.18 0.00 0.00 60.65 58.63 1x9f h LYS 66 Cb 0.09 0.15 -0.02 0.00 -1.58 0.00 0.00 32.23 30.87 1x9f h LYS 66 CO -0.07 -0.44 -0.65 0.35 -1.08 0.00 0.00 179.45 177.56 1x9f h PHE 67 N -0.68 0.00 -0.10 -1.35 3.57 -1.29 -2.43 116.94 114.66 1x9f h PHE 67 Ca -0.07 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.45 1x9f h PHE 67 Cb 0.52 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.25 1x9f h PHE 67 CO -0.04 0.65 0.01 0.77 -2.23 0.00 0.00 178.31 177.47 1x9f h SER 68 N 0.00 -0.01 -0.91 0.41 0.02 -1.23 0.36 113.55 112.19 1x9f h SER 68 Ca -0.01 0.02 0.02 0.00 -0.84 0.00 0.00 61.79 60.98 1x9f h SER 68 Cb 1.26 0.03 -0.05 0.00 0.14 0.00 0.00 62.40 63.78 1x9f h SER 68 CO 0.08 0.01 0.60 0.00 -1.14 0.00 0.00 176.83 176.38 1x9f h ALA 69 N 1.08 1.17 -0.21 3.77 0.00 -1.07 -1.33 119.26 122.67 1x9f h ALA 69 Ca 0.05 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1x9f h ALA 69 Cb 0.04 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 1x9f h ALA 69 CO -0.07 0.52 0.07 1.25 0.00 0.00 0.00 179.25 181.02 1x9f h HIS 70 N 1.20 0.33 -0.81 0.00 6.17 -1.16 -1.01 115.15 119.87 1x9f h HIS 70 Ca 0.34 -0.03 0.16 0.00 0.71 0.00 0.00 60.37 61.55 1x9f h HIS 70 Cb -0.10 -0.10 -0.10 0.00 2.52 0.00 0.00 27.41 29.64 1x9f h HIS 70 CO -0.01 0.40 0.36 0.00 0.71 0.00 0.00 177.93 179.39 1x9f h ALA 71 N 0.89 1.20 -0.71 5.26 0.00 0.21 0.08 119.26 126.20 1x9f h ALA 71 Ca 0.07 0.11 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 1x9f h ALA 71 Cb 0.22 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 1x9f h ALA 71 CO -0.00 -0.19 0.21 -0.07 0.00 0.00 0.00 179.25 179.20 1x9f h LEU 72 N 0.49 1.03 -0.15 0.00 3.38 -0.99 -1.07 115.31 118.01 1x9f h LEU 72 Ca 0.46 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 58.21 1x9f h LEU 72 Cb 0.71 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 1x9f h LEU 72 CO -0.41 0.97 0.06 -0.09 0.09 0.00 0.00 178.44 179.06 1x9f h ARG 73 N 1.04 0.22 -0.64 1.13 2.43 0.32 0.19 114.38 119.07 1x9f h ARG 73 Ca 0.23 -0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 59.29 1x9f h ARG 73 Cb 0.31 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.80 1x9f h ARG 73 CO -0.01 0.30 0.13 0.97 -1.51 0.00 0.00 179.97 179.85 1x9f h ILE 74 N 0.08 1.26 -0.46 1.20 2.10 -1.10 -0.69 117.51 119.90 1x9f h ILE 74 Ca 0.05 -0.99 -0.09 0.00 1.08 0.00 0.00 64.86 64.91 1x9f h ILE 74 Cb 0.17 0.66 -0.02 0.00 -1.09 0.00 0.00 36.82 36.54 1x9f h ILE 74 CO -0.00 0.37 -0.07 0.25 -1.08 0.00 0.00 178.15 177.62 1x9f h LEU 75 N 0.96 0.85 -1.79 2.19 7.12 -0.95 -1.46 115.31 122.24 1x9f h LEU 75 Ca 0.20 -0.34 -0.03 0.00 0.13 0.00 0.00 57.88 57.83 1x9f h LEU 75 Cb 0.40 -0.23 -0.00 0.00 -0.53 0.00 0.00 40.66 40.30 1x9f h LEU 75 CO 0.01 0.99 -0.16 0.78 -0.13 0.00 0.00 178.44 179.93 1x9f h ASN 76 N 0.70 0.00 0.03 1.25 4.21 -0.52 0.69 115.58 121.93 1x9f h ASN 76 Ca 0.12 0.00 -0.00 0.00 1.21 0.00 0.00 56.30 57.63 1x9f h ASN 76 Cb 0.59 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.79 1x9f h ASN 76 CO 0.04 0.16 -0.01 1.23 -1.29 0.00 0.00 177.43 177.55 1x9f h GLY 77 N 0.79 -0.04 1.42 2.83 0.00 -0.33 -0.09 103.07 107.66 1x9f h GLY 77 Ca -0.00 0.01 -0.06 0.00 0.00 0.00 0.00 47.33 47.29 1x9f h GLY 77 CO 0.02 -0.01 0.05 -2.00 0.00 0.00 0.00 176.54 174.60 1x9f h LEU 78 N -0.28 0.68 -0.71 3.11 5.85 -0.94 -2.15 115.31 120.86 1x9f h LEU 78 Ca -0.00 -0.14 -0.07 0.00 0.84 0.00 0.00 57.88 58.51 1x9f h LEU 78 Cb 0.27 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.09 1x9f h LEU 78 CO 0.01 0.72 0.16 -0.78 -0.34 0.00 0.00 178.44 178.20 1x9f h ASP 79 N 0.69 1.08 0.18 1.25 1.82 -0.78 -1.63 116.42 119.04 1x9f h ASP 79 Ca 0.15 -0.24 -0.01 0.00 -0.39 0.00 0.00 57.03 56.54 1x9f h ASP 79 Cb 0.35 -0.29 0.00 0.00 0.68 0.00 0.00 39.33 40.07 1x9f h ASP 79 CO 0.01 1.04 -0.08 0.25 -1.61 0.00 0.00 179.24 178.85 1x9f h LEU 80 N 1.08 -0.20 -0.21 2.28 5.85 -0.58 0.01 115.31 123.54 1x9f h LEU 80 Ca 0.22 -0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.96 1x9f h LEU 80 Cb 0.39 0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.44 1x9f h LEU 80 CO 0.01 -0.12 -0.00 0.00 -0.34 0.00 0.00 178.44 177.98 1x9f h ALA 81 N 0.57 0.18 -0.33 1.25 0.00 -1.29 -1.60 119.26 118.03 1x9f h ALA 81 Ca -0.02 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1x9f h ALA 81 Cb 0.20 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1x9f h ALA 81 CO 0.04 -0.43 0.21 0.82 0.00 0.00 0.00 179.25 179.89 1x9f h ILE 82 N 0.07 1.10 0.00 0.00 2.04 -1.15 -1.59 117.51 117.98 1x9f h ILE 82 Ca 0.10 -0.22 0.00 0.00 1.00 0.00 0.00 64.86 65.74 1x9f h ILE 82 Cb 0.12 0.66 0.00 0.00 -0.74 0.00 0.00 36.82 36.86 1x9f h ILE 82 CO -0.17 0.10 0.00 0.59 0.00 0.00 0.00 178.15 178.67 1x9f n ASN 83 N -4.84 0.00 -0.53 1.72 3.02 -0.02 -1.97 115.26 112.64 1x9f n ASN 83 Ca -0.01 0.48 0.05 0.00 -0.03 0.00 0.00 54.58 55.07 1x9f n ASN 83 Cb 0.04 -0.49 0.10 0.00 -0.61 0.00 0.00 39.78 38.83 1x9f n ASN 83 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1x9f n LEU 84 N -1.49 2.44 0.28 3.41 4.77 -0.63 -4.60 117.00 121.18 1x9f n LEU 84 Ca 0.02 -1.56 0.11 0.00 -0.03 0.00 0.00 56.01 54.55 1x9f n LEU 84 Cb 0.10 -0.12 0.76 0.00 -2.33 0.00 0.00 43.42 41.83 1x9f n LEU 84 CO 0.08 0.56 1.10 -0.07 -1.33 0.00 0.00 177.39 177.73 1x9f h LEU 85 N 1.99 0.00 -1.62 2.23 3.38 -0.91 -0.29 115.31 120.09 1x9f h LEU 85 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1x9f h LEU 85 Cb 0.60 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.35 1x9f h LEU 85 CO 0.00 0.00 0.00 -0.67 0.09 0.00 0.00 178.44 177.86 1x9f n ASP 86 N -4.24 2.16 -2.93 -0.43 4.64 -1.26 -4.22 116.55 110.27 1x9f n ASP 86 Ca -0.03 -2.23 -0.13 0.00 -1.38 0.00 0.00 54.79 51.03 1x9f n ASP 86 Cb 0.09 -0.53 -0.00 0.00 -1.04 0.00 0.00 41.12 39.63 1x9f n ASP 86 CO 0.00 0.00 0.00 -0.67 -0.82 0.00 0.00 177.20 175.71 1x9f n ASP 87 N 0.15 -2.12 -0.28 1.67 -0.08 -0.12 -5.06 116.55 110.72 1x9f n ASP 87 Ca 0.07 -2.96 0.09 0.00 -1.51 0.00 0.00 54.79 50.49 1x9f n ASP 87 Cb 0.48 1.00 0.24 0.00 2.34 0.00 0.00 41.12 45.18 1x9f n ASP 87 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1x9f h PRO 88 N 4.49 0.22 -0.37 -0.67 0.13 -1.73 -1.54 132.00 132.52 1x9f h PRO 88 Ca 0.01 -0.01 -0.11 0.00 -0.87 0.00 0.00 66.00 65.02 1x9f h PRO 88 Cb 1.01 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 32.07 1x9f h PRO 88 CO 0.28 0.15 -0.21 -1.00 -0.23 0.00 0.00 178.00 176.99 1x9f h PRO 89 N 0.23 0.72 -0.45 1.56 0.13 -1.97 -0.59 132.00 131.63 1x9f h PRO 89 Ca 0.49 -0.28 -0.11 0.00 -0.87 0.00 0.00 66.00 65.23 1x9f h PRO 89 Cb 0.92 -0.04 -0.02 0.00 0.13 0.00 0.00 31.00 32.00 1x9f h PRO 89 CO -0.60 0.87 -0.15 0.00 -0.23 0.00 0.00 178.00 177.89 1x9f h ALA 90 N 1.13 0.87 -0.49 -0.56 0.00 -1.67 -2.23 119.26 116.32 1x9f h ALA 90 Ca 0.09 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 1x9f h ALA 90 Cb 0.70 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1x9f h ALA 90 CO 0.05 0.64 0.26 1.25 0.00 0.00 0.00 179.25 181.45 1x9f h LEU 91 N 0.76 0.62 -0.66 0.00 5.85 -0.98 -1.92 115.31 118.98 1x9f h LEU 91 Ca 0.12 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.74 1x9f h LEU 91 Cb 0.68 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.52 1x9f h LEU 91 CO 0.05 0.54 0.43 0.44 -0.34 0.00 0.00 178.44 179.56 1x9f h ASP 92 N 0.64 0.77 -0.32 1.25 5.19 -0.94 0.21 116.42 123.21 1x9f h ASP 92 Ca 0.17 -0.03 0.06 0.00 -0.62 0.00 0.00 57.03 56.61 1x9f h ASP 92 Cb 0.07 -0.19 -0.05 0.00 0.18 0.00 0.00 39.33 39.34 1x9f h ASP 92 CO -0.03 0.57 0.01 0.00 -3.12 0.00 0.00 179.24 176.67 1x9f h ALA 93 N 1.23 0.30 -0.73 3.45 0.00 -1.21 -0.04 119.26 122.26 1x9f h ALA 93 Ca 0.24 0.09 -0.06 0.00 0.00 0.00 0.00 54.91 55.18 1x9f h ALA 93 Cb -0.09 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1x9f h ALA 93 CO -0.05 -0.39 0.23 0.00 0.00 0.00 0.00 179.25 179.03 1x9f h ALA 94 N 1.28 0.96 -0.01 0.00 0.00 -0.68 -1.56 119.26 119.24 1x9f h ALA 94 Ca 0.16 -0.22 -0.18 0.00 0.00 0.00 0.00 54.91 54.66 1x9f h ALA 94 Cb 0.21 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1x9f h ALA 94 CO -0.25 0.64 -0.81 -0.07 0.00 0.00 0.00 179.25 178.75 1x9f h LEU 95 N 1.08 0.19 0.03 0.00 3.38 -0.39 -1.65 115.31 117.94 1x9f h LEU 95 Ca 0.24 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 1x9f h LEU 95 Cb 0.30 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1x9f h LEU 95 CO -0.01 0.92 -0.01 -0.78 0.09 0.00 0.00 178.44 178.64 1x9f h ASP 96 N 0.09 -0.03 -0.37 -0.43 3.58 -0.87 0.15 116.42 118.53 1x9f h ASP 96 Ca -0.03 -0.07 0.07 0.00 0.42 0.00 0.00 57.03 57.42 1x9f h ASP 96 Cb 1.41 0.01 -0.06 0.00 1.72 0.00 0.00 39.33 42.41 1x9f h ASP 96 CO 0.12 0.04 -0.03 -0.74 -2.88 0.00 0.00 179.24 175.76 1x9f h HIS 97 N -0.11 -0.07 -0.85 0.28 2.76 -1.20 -0.80 115.15 115.16 1x9f h HIS 97 Ca -0.00 0.03 0.05 0.00 -2.20 0.00 0.00 60.37 58.24 1x9f h HIS 97 Cb 0.10 0.09 -0.05 0.00 1.55 0.00 0.00 27.41 29.09 1x9f h HIS 97 CO -0.05 -0.10 0.56 -0.07 -1.30 0.00 0.00 177.93 176.97 1x9f h LEU 98 N 0.07 0.88 -0.15 0.26 3.38 -1.08 -1.76 115.31 116.90 1x9f h LEU 98 Ca 0.18 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.15 1x9f h LEU 98 Cb 0.26 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1x9f h LEU 98 CO -0.33 0.59 0.09 0.00 0.09 0.00 0.00 178.44 178.88 1x9f h ALA 99 N 1.52 0.19 -0.78 1.53 0.00 0.51 -1.55 119.26 120.68 1x9f h ALA 99 Ca 0.35 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.29 1x9f h ALA 99 Cb 0.12 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 17.79 1x9f h ALA 99 CO -0.12 -0.30 0.46 0.45 0.00 0.00 0.00 179.25 179.75 1x9f h HIS 100 N 0.17 0.86 -0.12 0.00 3.86 -0.93 0.55 115.15 119.54 1x9f h HIS 100 Ca 0.05 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.27 1x9f h HIS 100 Cb 0.03 -0.27 -0.01 0.00 1.06 0.00 0.00 27.41 28.22 1x9f h HIS 100 CO -0.05 0.42 -0.02 1.96 0.86 0.00 0.00 177.93 181.10 1x9f h GLN 101 N 0.85 0.18 0.00 2.45 4.20 -0.85 -2.70 115.11 119.24 1x9f h GLN 101 Ca 0.34 -0.02 -0.27 0.00 0.06 0.00 0.00 58.65 58.76 1x9f h GLN 101 Cb 0.19 -0.03 -0.05 0.00 0.30 0.00 0.00 27.48 27.89 1x9f h GLN 101 CO -0.18 0.22 -1.58 0.45 -0.67 0.00 0.00 178.83 177.07 1x9f h HIS 102 N 0.18 0.00 -0.43 2.96 3.86 -0.51 -3.37 115.15 117.83 1x9f h HIS 102 Ca 0.04 0.00 0.06 0.00 -1.16 0.00 0.00 60.37 59.31 1x9f h HIS 102 Cb 0.16 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 28.58 1x9f h HIS 102 CO 0.00 0.96 0.14 1.49 0.86 0.00 0.00 177.93 181.38 1x9f h GLU 103 N 0.00 0.29 0.00 2.45 4.81 -0.68 -2.15 114.58 119.30 1x9f h GLU 103 Ca -0.24 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.97 1x9f h GLU 103 Cb 1.94 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 31.25 1x9f h GLU 103 CO 0.08 0.19 0.00 1.33 -0.73 0.00 0.00 179.01 179.88 1x9f n VAL 104 N -5.03 0.00 -3.77 0.32 0.24 -1.04 -4.63 118.33 104.43 1x9f n VAL 104 Ca 0.03 0.00 -0.36 0.00 -2.04 0.00 0.00 64.34 61.97 1x9f n VAL 104 Cb 0.17 -0.67 -0.11 0.00 -1.47 0.00 0.00 33.84 31.76 1x9f n VAL 104 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1x9f s ARG 105 N -2.00 3.85 0.01 7.34 1.81 -0.81 -5.07 118.95 124.07 1x9f s ARG 105 Ca 0.21 -0.39 -0.27 0.00 -1.72 0.00 0.00 55.73 53.56 1x9f s ARG 105 Cb 0.09 -3.40 -0.04 0.00 -0.45 0.00 0.00 34.95 31.15 1x9f s ARG 105 CO 0.16 -0.05 0.85 -1.83 -0.68 0.00 0.00 175.30 173.75 1x9f s GLU 106 N 1.29 4.53 0.00 3.54 -1.05 -1.26 -3.47 118.70 122.27 1x9f s GLU 106 Ca 0.06 1.18 0.00 0.00 -0.15 0.00 0.00 54.97 56.06 1x9f s GLU 106 Cb -0.15 -3.42 0.00 0.00 -0.44 0.00 0.00 34.13 30.12 1x9f s GLU 106 CO 0.05 0.10 0.00 0.41 0.95 0.00 0.00 175.26 176.77 1x9f n GLY 107 N 2.75 2.60 3.68 -3.83 0.00 -1.26 -4.91 105.19 104.21 1x9f n GLY 107 Ca 0.01 -0.38 -0.42 0.00 0.00 0.00 0.00 46.02 45.24 1x9f n GLY 107 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1x9f s VAL 108 N -1.77 3.14 0.18 1.61 1.01 -1.23 -4.98 120.40 118.37 1x9f s VAL 108 Ca 0.00 0.41 0.01 0.00 0.00 0.00 0.00 61.98 62.40 1x9f s VAL 108 Cb 0.00 -3.26 -0.05 0.00 0.00 0.00 0.00 36.38 33.07 1x9f s VAL 108 CO 0.00 -0.02 0.03 0.00 0.00 0.00 0.00 175.10 175.11 1x9f s GLN 109 N 3.42 1.13 0.50 2.72 -2.07 -1.26 -4.95 119.66 119.16 1x9f s GLN 109 Ca 0.77 -1.56 0.20 0.00 -1.82 0.00 0.00 55.36 52.96 1x9f s GLN 109 Cb -0.39 -0.16 1.26 0.00 -1.09 0.00 0.00 33.01 32.63 1x9f s GLN 109 CO 0.34 -0.19 2.02 0.87 -1.32 0.00 0.00 175.29 177.01 1x9f h LYS 110 N 2.67 0.12 -0.76 9.60 1.57 -1.93 -0.63 116.57 127.21 1x9f h LYS 110 Ca -0.37 -0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 58.36 1x9f h LYS 110 Cb 1.21 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 33.46 1x9f h LYS 110 CO 0.61 0.08 0.29 0.00 -0.57 0.00 0.00 179.45 179.86 1x9f h ALA 111 N 1.78 1.08 -0.97 3.86 0.00 -1.99 -1.72 119.26 121.30 1x9f h ALA 111 Ca 0.21 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 54.95 1x9f h ALA 111 Cb 0.67 -0.30 -0.05 0.00 0.00 0.00 0.00 17.79 18.11 1x9f h ALA 111 CO -0.02 0.65 0.64 0.45 0.00 0.00 0.00 179.25 180.96 1x9f h HIS 112 N 1.11 1.19 0.00 0.00 3.86 -1.52 -1.47 115.15 118.31 1x9f h HIS 112 Ca 0.25 0.03 -0.08 0.00 -1.16 0.00 0.00 60.37 59.41 1x9f h HIS 112 Cb 0.23 -0.40 -0.01 0.00 1.06 0.00 0.00 27.41 28.29 1x9f h HIS 112 CO 0.02 0.71 -0.40 0.74 0.86 0.00 0.00 177.93 179.86 1x9f h PHE 113 N 1.25 0.00 -0.11 2.45 -1.00 -1.31 -1.00 116.94 117.21 1x9f h PHE 113 Ca 0.38 0.00 -0.22 0.00 2.81 0.00 0.00 57.97 60.94 1x9f h PHE 113 Cb -0.04 0.00 0.01 0.00 3.61 0.00 0.00 35.95 39.53 1x9f h PHE 113 CO -0.00 0.40 -0.78 -0.22 -1.61 0.00 0.00 178.31 176.10 1x9f h LYS 114 N 0.00 0.73 -0.28 1.51 3.64 -0.78 -2.43 116.57 118.96 1x9f h LYS 114 Ca -0.00 -0.63 -0.04 0.00 -1.27 0.00 0.00 60.65 58.71 1x9f h LYS 114 Cb 0.94 0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.89 1x9f h LYS 114 CO 0.05 1.24 0.03 -0.22 -2.27 0.00 0.00 179.45 178.28 1x9f h LYS 115 N 0.43 0.47 -0.57 1.90 3.11 -1.19 -2.47 116.57 118.26 1x9f h LYS 115 Ca -0.06 -0.14 0.05 0.00 -2.81 0.00 0.00 60.65 57.69 1x9f h LYS 115 Cb 1.42 -0.05 -0.05 0.00 -1.00 0.00 0.00 32.23 32.55 1x9f h LYS 115 CO 0.16 0.60 0.29 0.35 -2.81 0.00 0.00 179.45 178.04 1x9f h PHE 116 N 0.28 0.54 -0.80 1.91 3.04 -1.22 0.49 116.94 121.18 1x9f h PHE 116 Ca 0.08 0.02 0.05 0.00 3.98 0.00 0.00 57.97 62.11 1x9f h PHE 116 Cb 0.37 -0.16 -0.06 0.00 2.56 0.00 0.00 35.95 38.66 1x9f h PHE 116 CO 0.03 0.25 0.49 0.78 -2.02 0.00 0.00 178.31 177.84 1x9f h GLY 117 N 0.56 1.19 0.75 2.40 0.00 -1.29 0.40 103.07 107.07 1x9f h GLY 117 Ca 0.26 -0.36 -0.01 0.00 0.00 0.00 0.00 47.33 47.22 1x9f h GLY 117 CO -0.18 0.26 -0.10 0.83 0.00 0.00 0.00 176.54 177.35 1x9f h GLU 118 N 0.91 -0.26 -0.92 4.80 5.08 -0.94 0.10 114.58 123.34 1x9f h GLU 118 Ca 0.34 0.02 0.17 0.00 -1.00 0.00 0.00 59.36 58.89 1x9f h GLU 118 Cb 0.13 0.06 -0.08 0.00 0.50 0.00 0.00 28.75 29.36 1x9f h GLU 118 CO -0.16 0.01 0.59 0.82 -1.00 0.00 0.00 179.01 179.28 1x9f h ILE 119 N -0.53 0.78 -0.20 3.13 2.04 -0.54 -1.33 117.51 120.86 1x9f h ILE 119 Ca -0.03 -0.23 -0.17 0.00 1.00 0.00 0.00 64.86 65.44 1x9f h ILE 119 Cb 0.40 0.06 0.00 0.00 -0.74 0.00 0.00 36.82 36.54 1x9f h ILE 119 CO 0.05 0.12 -0.52 0.25 0.00 0.00 0.00 178.15 178.04 1x9f h LEU 120 N 0.66 0.81 -1.45 1.44 5.85 -0.04 -1.72 115.31 120.86 1x9f h LEU 120 Ca 0.48 -0.57 -0.06 0.00 0.84 0.00 0.00 57.88 58.57 1x9f h LEU 120 Cb 0.85 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.63 1x9f h LEU 120 CO -0.24 1.24 -0.25 0.00 -0.34 0.00 0.00 178.44 178.85 1x9f h ALA 121 N 0.59 1.55 0.03 1.25 0.00 -0.14 -2.11 119.26 120.43 1x9f h ALA 121 Ca -0.01 -0.24 -0.16 0.00 0.00 0.00 0.00 54.91 54.50 1x9f h ALA 121 Cb 1.14 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.89 1x9f h ALA 121 CO 0.11 0.34 -0.65 1.15 0.00 0.00 0.00 179.25 180.20 1x9f h THR 122 N 0.04 1.44 -0.00 0.00 2.02 -1.21 -3.38 112.91 111.82 1x9f h THR 122 Ca 0.00 -2.18 -0.17 0.00 0.77 0.00 0.00 66.41 64.84 1x9f h THR 122 Cb 0.46 2.72 -0.02 0.00 -1.74 0.00 0.00 68.15 69.57 1x9f h THR 122 CO 0.03 0.63 -0.79 1.23 0.37 0.00 0.00 175.52 176.99 1x9f h GLY 123 N -0.15 0.09 0.94 2.16 0.00 -1.16 -3.34 103.07 101.61 1x9f h GLY 123 Ca -0.09 -0.15 -0.00 0.00 0.00 0.00 0.00 47.33 47.09 1x9f h GLY 123 CO 0.13 0.13 0.06 1.41 0.00 0.00 0.00 176.54 178.26 1x9f h LEU 124 N 0.05 0.12 -2.39 3.11 3.38 -1.56 -2.16 115.31 115.86 1x9f h LEU 124 Ca -0.02 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 1x9f h LEU 124 Cb 1.39 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 42.10 1x9f h LEU 124 CO 0.11 0.16 -0.03 1.55 0.09 0.00 0.00 178.44 180.32 1x9f h PRO 125 N 0.08 0.00 0.00 1.13 0.13 -1.77 0.20 132.00 131.77 1x9f h PRO 125 Ca 0.04 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.17 1x9f h PRO 125 Cb 0.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.19 1x9f h PRO 125 CO -0.01 0.03 0.00 1.04 -0.23 0.00 0.00 178.00 178.83 1x9f n GLN 126 N -3.70 0.20 -0.01 0.86 6.02 -0.82 -3.70 117.38 116.23 1x9f n GLN 126 Ca -0.03 0.38 -0.01 0.00 -0.01 0.00 0.00 57.00 57.33 1x9f n GLN 126 Cb 0.12 -1.84 -0.02 0.00 1.02 0.00 0.00 30.24 29.51 1x9f n GLN 126 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 1x9f n VAL 127 N -2.21 0.17 -3.84 5.09 0.24 -0.48 -4.98 118.33 112.33 1x9f n VAL 127 Ca 0.03 -0.12 -0.36 0.00 -2.04 0.00 0.00 64.34 61.85 1x9f n VAL 127 Cb 0.26 -0.68 -0.10 0.00 -1.47 0.00 0.00 33.84 31.84 1x9f n VAL 127 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1x9f s LEU 128 N -4.04 3.81 0.00 1.34 1.43 0.60 -4.97 118.68 116.85 1x9f s LEU 128 Ca -0.01 0.01 0.18 0.00 -1.03 0.00 0.00 54.13 53.28 1x9f s LEU 128 Cb 0.01 -2.00 0.65 0.00 0.03 0.00 0.00 46.19 44.88 1x9f s LEU 128 CO 0.13 0.08 1.48 -0.90 0.23 0.00 0.00 176.35 177.37 1x9f n ASP 129 N 4.15 1.69 -3.76 2.29 5.68 -1.26 -4.43 116.55 120.91 1x9f n ASP 129 Ca -0.16 -1.78 -0.28 0.00 -0.50 0.00 0.00 54.79 52.07 1x9f n ASP 129 Cb 0.52 -0.14 -0.16 0.00 -1.14 0.00 0.00 41.12 40.20 1x9f n ASP 129 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1x9f s ASP 130 N -1.43 3.23 -0.24 -1.12 3.68 -1.26 -5.11 116.67 114.42 1x9f s ASP 130 Ca 0.30 -1.00 -0.02 0.00 2.13 0.00 0.00 52.55 53.95 1x9f s ASP 130 Cb 0.16 -0.72 0.12 0.00 -1.45 0.00 0.00 42.92 41.03 1x9f s ASP 130 CO 0.24 -0.31 0.28 -0.47 0.13 0.00 0.00 175.17 175.04 1x9f s TYR 131 N 1.76 -0.47 -0.63 -5.34 5.04 -1.26 -4.84 117.35 111.60 1x9f s TYR 131 Ca 0.00 0.23 -0.25 0.00 -2.44 0.00 0.00 57.07 54.61 1x9f s TYR 131 Cb -0.17 -0.31 0.04 0.00 0.35 0.00 0.00 41.96 41.87 1x9f s TYR 131 CO -0.11 -0.74 1.08 0.34 -1.34 0.00 0.00 175.55 174.78 1x9f s ASP 132 N 2.39 6.27 0.35 4.32 2.15 -1.26 -4.88 116.67 126.01 1x9f s ASP 132 Ca 0.09 -0.47 0.04 0.00 0.43 0.00 0.00 52.55 52.64 1x9f s ASP 132 Cb -0.15 -2.48 0.69 0.00 -0.30 0.00 0.00 42.92 40.68 1x9f s ASP 132 CO -0.20 -1.49 1.98 0.00 -0.17 0.00 0.00 175.17 175.28 1x9f h ALA 133 N 9.61 1.64 -0.04 3.66 0.00 -1.99 -1.95 119.26 130.19 1x9f h ALA 133 Ca -0.27 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 1x9f h ALA 133 Cb 1.06 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 1x9f h ALA 133 CO 1.18 0.28 -0.03 -0.07 0.00 0.00 0.00 179.25 180.61 1x9f h LEU 134 N 0.81 0.10 -0.13 0.00 3.38 -1.99 -1.31 115.31 116.16 1x9f h LEU 134 Ca 0.29 -0.46 -0.00 0.00 0.09 0.00 0.00 57.88 57.79 1x9f h LEU 134 Cb 0.12 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1x9f h LEU 134 CO -0.09 0.54 0.08 0.00 0.09 0.00 0.00 178.44 179.06 1x9f h ALA 135 N 0.56 0.17 -0.53 1.53 0.00 -1.88 -2.56 119.26 116.54 1x9f h ALA 135 Ca 0.01 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.89 1x9f h ALA 135 Cb 0.51 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 1x9f h ALA 135 CO 0.01 -0.31 0.33 -1.49 0.00 0.00 0.00 179.25 177.80 1x9f h TRP 136 N 0.13 0.63 -0.32 0.00 4.06 -1.39 -1.54 115.95 117.51 1x9f h TRP 136 Ca 0.05 0.02 0.04 0.00 2.06 0.00 0.00 58.89 61.05 1x9f h TRP 136 Cb 0.05 -0.21 -0.04 0.00 -1.00 0.00 0.00 29.16 27.97 1x9f h TRP 136 CO -0.05 0.37 0.10 -0.22 -3.56 0.00 0.00 178.44 175.08 1x9f h LYS 137 N 0.67 0.22 -0.27 0.49 3.64 -1.10 0.40 116.57 120.61 1x9f h LYS 137 Ca 0.21 -0.01 -0.10 0.00 -1.27 0.00 0.00 60.65 59.48 1x9f h LYS 137 Cb -0.02 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.75 1x9f h LYS 137 CO -0.08 0.15 -0.21 0.66 -2.27 0.00 0.00 179.45 177.70 1x9f h SER 138 N 0.23 0.66 -0.14 4.20 4.64 -1.31 -1.91 113.55 119.93 1x9f h SER 138 Ca 0.15 -0.45 -0.01 0.00 -0.47 0.00 0.00 61.79 61.01 1x9f h SER 138 Cb 0.13 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 62.03 1x9f h SER 138 CO -0.17 0.97 0.04 0.00 -0.87 0.00 0.00 176.83 176.81 1x9f h LEU 140 N 0.04 0.48 -0.12 0.00 3.38 -0.22 -2.22 115.31 116.65 1x9f h LEU 140 Ca 0.04 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 1x9f h LEU 140 Cb 0.21 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 1x9f h LEU 140 CO -0.00 0.38 -0.00 0.50 0.09 0.00 0.00 178.44 179.40 1x9f h LYS 141 N 0.55 0.21 -0.31 1.13 3.64 -1.19 0.13 116.57 120.73 1x9f h LYS 141 Ca 0.14 -0.07 0.06 0.00 -1.27 0.00 0.00 60.65 59.52 1x9f h LYS 141 Cb -0.00 -0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 31.75 1x9f h LYS 141 CO -0.03 0.47 -0.05 0.78 -2.27 0.00 0.00 179.45 178.35 1x9f h GLY 142 N -0.07 0.25 0.94 5.01 0.00 -1.21 0.66 103.07 108.66 1x9f h GLY 142 Ca 0.03 0.08 -0.02 0.00 0.00 0.00 0.00 47.33 47.42 1x9f h GLY 142 CO 0.01 -0.10 -0.20 -2.22 0.00 0.00 0.00 176.54 174.02 1x9f h ILE 143 N 0.03 0.59 -0.78 2.60 2.04 -1.23 -2.18 117.51 118.57 1x9f h ILE 143 Ca 0.15 -0.11 0.06 0.00 1.00 0.00 0.00 64.86 65.96 1x9f h ILE 143 Cb 0.22 0.64 -0.05 0.00 -0.74 0.00 0.00 36.82 36.90 1x9f h ILE 143 CO -0.30 0.02 0.51 -0.07 0.00 0.00 0.00 178.15 178.32 1x9f h LEU 144 N -0.63 0.75 -0.22 1.44 3.38 -0.61 -1.82 115.31 117.60 1x9f h LEU 144 Ca -0.06 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.82 1x9f h LEU 144 Cb 0.47 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.06 1x9f h LEU 144 CO 0.10 0.48 -0.26 0.74 0.09 0.00 0.00 178.44 179.59 1x9f h THR 145 N 0.85 1.32 -0.71 0.22 2.02 -0.79 -2.49 112.91 113.34 1x9f h THR 145 Ca 0.34 -1.44 -0.05 0.00 0.77 0.00 0.00 66.41 66.02 1x9f h THR 145 Cb 0.23 1.75 -0.03 0.00 -1.74 0.00 0.00 68.15 68.36 1x9f h THR 145 CO -0.12 0.44 0.23 0.50 0.37 0.00 0.00 175.52 176.95 1x9f h LYS 146 N 0.25 1.09 0.00 6.66 1.63 -1.17 -0.48 116.57 124.54 1x9f h LYS 146 Ca 0.03 -0.22 -0.04 0.00 -0.85 0.00 0.00 60.65 59.57 1x9f h LYS 146 Cb 0.82 -0.16 -0.01 0.00 -0.60 0.00 0.00 32.23 32.28 1x9f h LYS 146 CO 0.06 0.92 -0.18 0.82 -3.45 0.00 0.00 179.45 177.63 1x9f h ILE 147 N 1.05 0.48 -0.24 2.00 2.04 -1.26 -3.20 117.51 118.37 1x9f h ILE 147 Ca 0.23 -0.92 0.00 0.00 1.00 0.00 0.00 64.86 65.17 1x9f h ILE 147 Cb 0.28 1.65 0.00 0.00 -0.74 0.00 0.00 36.82 38.01 1x9f h ILE 147 CO -0.01 0.17 0.00 -1.54 0.00 0.00 0.00 178.15 176.77 1x9f n SER 148 N -3.39 2.60 0.13 1.72 3.41 -0.94 -4.18 113.62 112.97 1x9f n SER 148 Ca -0.00 -1.86 0.02 0.00 -0.26 0.00 0.00 58.87 56.78 1x9f n SER 148 Cb 0.37 -0.16 0.39 0.00 -0.26 0.00 0.00 64.21 64.55 1x9f n SER 148 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1x9f h SER 149 N 1.89 0.18 -0.20 4.04 4.64 -1.09 -2.78 113.55 120.23 1x9f h SER 149 Ca 0.00 -0.04 -0.01 0.00 -0.47 0.00 0.00 61.79 61.27 1x9f h SER 149 Cb 0.64 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.68 1x9f h SER 149 CO 0.00 0.38 0.01 0.54 -0.87 0.00 0.00 176.83 176.89 1x9f n ARG 150 N -4.24 2.24 0.00 4.77 1.74 -1.26 -5.13 116.66 114.77 1x9f n ARG 150 Ca -0.01 -1.03 0.07 0.00 -0.77 0.00 0.00 57.85 56.11 1x9f n ARG 150 Cb 0.30 -1.73 0.06 0.00 -1.02 0.00 0.00 32.46 30.06 1x9f n ARG 150 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39