#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 1.19 0.00 -0.41 4.71 -1.26 -2.80 120.64 122.07 1x9f n GLU 4 Ca 0.00 -0.28 0.02 0.00 -0.01 0.00 0.00 57.16 56.89 1x9f n GLU 4 Cb 0.00 -1.28 0.00 0.00 -1.01 0.00 0.00 31.44 29.16 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 -0.47 0.00 -3.31 -0.32 8.25 -1.26 -4.44 115.22 113.67 1x9f n HIS 5 Ca 0.13 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.18 1x9f n HIS 5 Cb 0.12 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.15 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 -2.71 -2.28 0.22 0.00 3.41 -1.26 -4.60 113.62 106.39 1x9f n SER 8 Ca -0.13 -0.81 -0.16 0.00 -0.26 0.00 0.00 58.87 57.51 1x9f n SER 8 Cb 0.60 -0.65 -0.08 0.00 -0.26 0.00 0.00 64.21 63.83 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 -0.75 -0.31 4.33 4.39 -1.94 -1.84 114.58 118.47 1x9f h GLU 9 Ca -0.26 0.05 -0.07 0.00 0.34 0.00 0.00 59.36 59.41 1x9f h GLU 9 Cb 0.83 0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 29.63 1x9f h GLU 9 CO 0.17 -0.50 -0.13 0.93 -1.16 0.00 0.00 179.01 178.32 1x9f h GLU 10 N -0.78 0.52 0.08 2.33 4.39 -1.99 -2.22 114.58 116.93 1x9f h GLU 10 Ca -0.02 -0.15 0.02 0.00 0.34 0.00 0.00 59.36 59.54 1x9f h GLU 10 Cb 0.71 -0.05 -0.05 0.00 -0.10 0.00 0.00 28.75 29.26 1x9f h GLU 10 CO -0.10 0.64 -0.48 -0.44 -1.16 0.00 0.00 179.01 177.47 1x9f h ASP 11 N 0.48 -1.43 0.74 1.42 3.45 -1.81 -0.33 116.42 118.94 1x9f h ASP 11 Ca 0.09 0.16 -0.06 0.00 0.43 0.00 0.00 57.03 57.64 1x9f h ASP 11 Cb 0.51 0.54 -0.01 0.00 -0.56 0.00 0.00 39.33 39.81 1x9f h ASP 11 CO 0.03 -0.52 -0.31 1.12 -1.57 0.00 0.00 179.24 178.00 1x9f h HIS 12 N -0.68 0.00 -0.37 4.55 2.07 -1.22 -1.61 115.15 117.89 1x9f h HIS 12 Ca 0.02 0.00 -0.13 0.00 -2.85 0.00 0.00 60.37 57.40 1x9f h HIS 12 Cb 0.72 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.69 1x9f h HIS 12 CO -0.43 0.31 -0.30 -0.09 -3.07 0.00 0.00 177.93 174.35 1x9f h ARG 13 N 0.00 0.80 -0.43 5.12 2.43 -1.03 -0.34 114.38 120.93 1x9f h ARG 13 Ca -0.00 -0.36 -0.04 0.00 -0.81 0.00 0.00 59.98 58.76 1x9f h ARG 13 Cb 0.76 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.28 1x9f h ARG 13 CO 0.04 0.99 0.11 0.82 -1.51 0.00 0.00 179.97 180.42 1x9f h ILE 14 N 0.68 1.23 -0.19 1.20 1.08 -0.58 -2.03 117.51 118.89 1x9f h ILE 14 Ca 0.08 -0.80 -0.01 0.00 -0.39 0.00 0.00 64.86 63.74 1x9f h ILE 14 Cb 0.84 0.93 -0.01 0.00 -3.07 0.00 0.00 36.82 35.51 1x9f h ILE 14 CO 0.07 0.28 0.09 0.58 -0.69 0.00 0.00 178.15 178.48 1x9f h VAL 15 N 0.57 1.14 -0.70 1.67 2.07 -1.12 -1.46 116.25 118.42 1x9f h VAL 15 Ca 0.14 -0.41 0.00 0.00 0.82 0.00 0.00 66.70 67.24 1x9f h VAL 15 Cb 0.32 1.06 -0.03 0.00 -1.52 0.00 0.00 31.29 31.11 1x9f h VAL 15 CO 0.00 0.14 0.44 1.56 0.02 0.00 0.00 177.57 179.73 1x9f h GLN 16 N 0.18 0.93 -0.29 1.57 4.20 -1.03 -0.58 115.11 120.09 1x9f h GLN 16 Ca 0.07 -0.07 -0.03 0.00 0.06 0.00 0.00 58.65 58.67 1x9f h GLN 16 Cb 0.14 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 27.70 1x9f h GLN 16 CO -0.01 0.64 0.07 -0.22 -0.67 0.00 0.00 178.83 178.64 1x9f h LYS 17 N 0.95 0.47 -0.39 1.46 3.64 -1.21 -1.73 116.57 119.76 1x9f h LYS 17 Ca 0.25 -0.11 -0.13 0.00 -1.27 0.00 0.00 60.65 59.39 1x9f h LYS 17 Cb -0.07 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.68 1x9f h LYS 17 CO -0.05 0.55 -0.28 1.96 -2.27 0.00 0.00 179.45 179.36 1x9f h GLN 18 N 0.31 0.84 -0.35 1.90 4.20 -1.14 -3.09 115.11 117.79 1x9f h GLN 18 Ca 0.09 -0.38 -0.03 0.00 0.06 0.00 0.00 58.65 58.40 1x9f h GLN 18 Cb 0.30 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.04 1x9f h GLN 18 CO 0.00 1.01 0.12 2.35 -0.67 0.00 0.00 178.83 181.64 1x9f h TRP 19 N 0.71 0.55 -0.94 2.96 2.91 -1.04 -3.17 115.95 117.93 1x9f h TRP 19 Ca 0.08 -0.05 0.19 0.00 1.13 0.00 0.00 58.89 60.24 1x9f h TRP 19 Cb 0.83 -0.16 -0.08 0.00 -0.51 0.00 0.00 29.16 29.24 1x9f h TRP 19 CO 0.05 0.53 0.60 0.22 -1.03 0.00 0.00 178.44 178.81 1x9f h ASP 20 N 0.41 0.58 -0.75 2.65 1.82 -1.23 -1.21 116.42 118.69 1x9f h ASP 20 Ca 0.11 0.06 0.21 0.00 -0.39 0.00 0.00 57.03 57.02 1x9f h ASP 20 Cb 0.23 -0.05 -0.03 0.00 0.68 0.00 0.00 39.33 40.16 1x9f h ASP 20 CO -0.01 0.23 0.53 0.40 -1.61 0.00 0.00 179.24 178.79 1x9f h ILE 21 N 0.58 0.65 0.00 2.25 2.04 -1.55 -1.13 117.51 120.35 1x9f h ILE 21 Ca 0.51 -0.02 0.00 0.00 1.00 0.00 0.00 64.86 66.34 1x9f h ILE 21 Cb 1.01 0.58 0.00 0.00 -0.74 0.00 0.00 36.82 37.67 1x9f h ILE 21 CO -0.25 0.01 0.00 -0.07 0.00 0.00 0.00 178.15 177.84 1x9f h LEU 22 N 0.07 0.00 -3.01 1.44 3.38 -1.40 -2.68 115.31 113.11 1x9f h LEU 22 Ca 0.36 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.33 1x9f h LEU 22 Cb 1.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.10 1x9f h LEU 22 CO -0.03 0.00 0.00 0.79 0.09 0.00 0.00 178.44 179.29 1x9f n TRP 23 N -2.50 0.20 -0.28 1.13 7.02 -0.43 -4.56 117.44 118.03 1x9f n TRP 23 Ca -0.00 -0.67 0.34 0.00 -1.02 0.00 0.00 57.50 56.15 1x9f n TRP 23 Cb 0.15 -0.10 0.69 0.00 -2.42 0.00 0.00 31.31 29.63 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 0.61 0.00 -6.11 -0.99 2.47 -1.45 -3.42 114.38 105.49 1x9f h ARG 24 Ca 0.00 0.00 -0.60 0.00 -1.26 0.00 0.00 59.98 58.12 1x9f h ARG 24 Cb 0.78 0.00 -0.13 0.00 -1.65 0.00 0.00 29.97 28.97 1x9f h ARG 24 CO 0.03 0.00 -0.70 0.16 0.56 0.00 0.00 179.97 180.02 1x9f s ASP 25 N -4.59 3.89 0.36 7.04 3.84 -1.26 -5.06 116.67 120.88 1x9f s ASP 25 Ca -0.04 -1.00 0.19 0.00 -0.00 0.00 0.00 52.55 51.70 1x9f s ASP 25 Cb 0.20 -0.44 0.47 0.00 -1.38 0.00 0.00 42.92 41.77 1x9f s ASP 25 CO 0.69 -0.08 1.63 0.71 -0.00 0.00 0.00 175.17 178.13 1x9f h THR 26 N 2.06 0.72 -0.72 2.11 1.35 -1.97 -3.24 112.91 113.22 1x9f h THR 26 Ca -0.42 -1.67 -0.39 0.00 -0.55 0.00 0.00 66.41 63.38 1x9f h THR 26 Cb 1.25 2.10 -0.14 0.00 -1.73 0.00 0.00 68.15 69.63 1x9f h THR 26 CO 0.64 0.36 0.20 -0.62 -0.25 0.00 0.00 175.52 175.84 1x9f n GLU 27 N -3.33 2.20 -0.31 4.72 -0.58 -1.26 -4.56 120.64 117.52 1x9f n GLU 27 Ca 0.01 -1.87 0.05 0.00 -0.42 0.00 0.00 57.16 54.93 1x9f n GLU 27 Cb 0.58 -2.02 0.24 0.00 -0.57 0.00 0.00 31.44 29.68 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 2.77 0.90 -0.69 1.62 4.64 -1.91 -2.32 113.55 118.57 1x9f h SER 28 Ca 0.32 0.01 0.04 0.00 -0.47 0.00 0.00 61.79 61.70 1x9f h SER 28 Cb 0.94 -0.18 -0.05 0.00 -0.31 0.00 0.00 62.40 62.81 1x9f h SER 28 CO 0.69 0.56 0.42 0.77 -0.87 0.00 0.00 176.83 178.39 1x9f h SER 29 N 1.01 0.66 -0.55 4.97 4.64 -1.93 0.72 113.55 123.08 1x9f h SER 29 Ca 0.41 0.01 0.05 0.00 -0.47 0.00 0.00 61.79 61.80 1x9f h SER 29 Cb 0.27 -0.13 -0.05 0.00 -0.31 0.00 0.00 62.40 62.18 1x9f h SER 29 CO -0.17 0.44 0.27 0.50 -0.87 0.00 0.00 176.83 177.01 1x9f h LYS 30 N 0.79 0.50 -0.27 4.77 1.63 -1.80 0.20 116.57 122.39 1x9f h LYS 30 Ca 0.29 -0.03 -0.05 0.00 -0.85 0.00 0.00 60.65 60.01 1x9f h LYS 30 Cb 0.09 -0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 31.60 1x9f h LYS 30 CO -0.14 0.33 -0.01 0.82 -3.45 0.00 0.00 179.45 177.00 1x9f h ILE 31 N 0.51 1.26 -0.09 2.00 2.04 -1.02 -1.60 117.51 120.61 1x9f h ILE 31 Ca 0.25 -0.96 0.01 0.00 1.00 0.00 0.00 64.86 65.16 1x9f h ILE 31 Cb 0.18 1.35 -0.01 0.00 -0.74 0.00 0.00 36.82 37.60 1x9f h ILE 31 CO -0.18 0.30 0.03 0.11 0.00 0.00 0.00 178.15 178.41 1x9f h LYS 32 N 0.26 0.07 0.24 2.37 1.57 0.81 -0.98 116.57 120.92 1x9f h LYS 32 Ca 0.08 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.84 1x9f h LYS 32 Cb 0.45 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.74 1x9f h LYS 32 CO 0.02 0.05 -0.11 0.82 -0.57 0.00 0.00 179.45 179.65 1x9f h ILE 33 N 0.07 0.79 -0.00 1.86 2.04 -0.65 0.14 117.51 121.76 1x9f h ILE 33 Ca 0.04 -0.11 0.03 0.00 1.00 0.00 0.00 64.86 65.82 1x9f h ILE 33 Cb 0.02 0.85 -0.06 0.00 -0.74 0.00 0.00 36.82 36.90 1x9f h ILE 33 CO -0.04 0.03 -0.44 1.23 0.00 0.00 0.00 178.15 178.93 1x9f h GLY 34 N -0.37 -0.84 0.84 5.37 0.00 -1.19 -0.26 103.07 106.61 1x9f h GLY 34 Ca -0.03 0.54 -0.02 0.00 0.00 0.00 0.00 47.33 47.82 1x9f h GLY 34 CO 0.05 -0.25 0.04 -2.75 0.00 0.00 0.00 176.54 173.64 1x9f h PHE 35 N -0.59 0.28 -0.37 5.60 3.57 -1.14 -1.08 116.94 123.22 1x9f h PHE 35 Ca 0.04 -0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.52 1x9f h PHE 35 Cb 0.67 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.30 1x9f h PHE 35 CO -0.44 0.41 0.21 0.78 -2.23 0.00 0.00 178.31 177.04 1x9f h GLY 36 N 0.08 0.51 0.82 2.40 0.00 -0.65 -1.28 103.07 104.94 1x9f h GLY 36 Ca 0.05 -0.16 0.02 0.00 0.00 0.00 0.00 47.33 47.25 1x9f h GLY 36 CO 0.00 0.14 0.11 -0.09 0.00 0.00 0.00 176.54 176.70 1x9f h ARG 37 N 0.43 0.23 -0.28 4.80 1.12 -0.96 -2.28 114.38 117.44 1x9f h ARG 37 Ca 0.15 -0.01 0.06 0.00 -1.11 0.00 0.00 59.98 59.06 1x9f h ARG 37 Cb 0.01 -0.05 -0.06 0.00 -0.01 0.00 0.00 29.97 29.86 1x9f h ARG 37 CO -0.07 0.15 -0.09 1.25 -3.11 0.00 0.00 179.97 178.10 1x9f h LEU 38 N 0.24 -0.31 0.04 3.80 5.85 -0.84 -0.56 115.31 123.52 1x9f h LEU 38 Ca 0.11 0.09 0.01 0.00 0.84 0.00 0.00 57.88 58.93 1x9f h LEU 38 Cb 0.07 0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 1x9f h LEU 38 CO -0.10 -0.11 -0.07 -0.07 -0.34 0.00 0.00 178.44 177.75 1x9f h LEU 39 N -0.03 -0.18 -0.59 2.25 3.38 -0.98 -0.99 115.31 118.17 1x9f h LEU 39 Ca 0.14 0.02 -0.15 0.00 0.09 0.00 0.00 57.88 57.98 1x9f h LEU 39 Cb 0.24 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1x9f h LEU 39 CO -0.30 -0.10 -0.49 -0.07 0.09 0.00 0.00 178.44 177.56 1x9f h LEU 40 N -0.13 0.59 -0.36 1.67 3.38 -1.36 0.12 115.31 119.22 1x9f h LEU 40 Ca 0.01 -0.29 0.05 0.00 0.09 0.00 0.00 57.88 57.74 1x9f h LEU 40 Cb 0.15 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.69 1x9f h LEU 40 CO -0.04 0.98 0.11 0.74 0.09 0.00 0.00 178.44 180.32 1x9f h THR 41 N 0.43 0.87 -0.67 0.22 2.02 -1.00 0.74 112.91 115.52 1x9f h THR 41 Ca 0.02 -0.09 -0.05 0.00 0.77 0.00 0.00 66.41 67.06 1x9f h THR 41 Cb 1.01 0.60 -0.03 0.00 -1.74 0.00 0.00 68.15 67.99 1x9f h THR 41 CO 0.09 0.05 0.20 0.50 0.37 0.00 0.00 175.52 176.73 1x9f h LYS 42 N 0.25 1.02 -0.37 6.66 1.63 -0.92 -1.43 116.57 123.42 1x9f h LYS 42 Ca 0.17 -0.21 -0.00 0.00 -0.85 0.00 0.00 60.65 59.76 1x9f h LYS 42 Cb 0.16 -0.15 -0.02 0.00 -0.60 0.00 0.00 32.23 31.62 1x9f h LYS 42 CO -0.18 0.88 0.22 1.25 -3.45 0.00 0.00 179.45 178.17 1x9f h LEU 43 N 0.98 0.44 -0.69 5.20 5.85 0.05 -2.34 115.31 124.81 1x9f h LEU 43 Ca 0.22 -0.05 -0.09 0.00 0.84 0.00 0.00 57.88 58.79 1x9f h LEU 43 Cb 0.29 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 1x9f h LEU 43 CO -0.01 0.36 -0.01 0.00 -0.34 0.00 0.00 178.44 178.45 1x9f h ALA 44 N 1.10 0.89 -0.95 1.25 0.00 -0.73 -1.36 119.26 119.46 1x9f h ALA 44 Ca 0.13 -0.31 0.11 0.00 0.00 0.00 0.00 54.91 54.85 1x9f h ALA 44 Cb 0.00 -0.22 -0.08 0.00 0.00 0.00 0.00 17.79 17.49 1x9f h ALA 44 CO -0.03 0.65 0.59 -0.22 0.00 0.00 0.00 179.25 180.24 1x9f h LYS 45 N 0.92 0.92 0.02 0.00 1.63 -1.11 -2.72 116.57 116.23 1x9f h LYS 45 Ca 0.16 -0.06 -0.26 0.00 -0.85 0.00 0.00 60.65 59.65 1x9f h LYS 45 Cb 0.55 -0.21 -0.03 0.00 -0.60 0.00 0.00 32.23 31.94 1x9f h LYS 45 CO 0.03 0.61 -1.38 -0.44 -3.45 0.00 0.00 179.45 174.82 1x9f h ASP 46 N 0.95 0.06 -3.18 4.20 3.45 -1.10 -3.41 116.42 117.40 1x9f h ASP 46 Ca 0.47 -0.09 -0.60 0.00 0.43 0.00 0.00 57.03 57.23 1x9f h ASP 46 Cb 0.43 -0.02 -0.40 0.00 -0.56 0.00 0.00 39.33 38.79 1x9f h ASP 46 CO -0.26 1.08 -0.78 -0.63 -1.57 0.00 0.00 179.24 177.08 1x9f s ILE 47 N -2.65 0.98 0.48 0.35 1.01 -0.54 -5.02 121.20 115.82 1x9f s ILE 47 Ca -0.03 -2.29 0.20 0.00 0.00 0.00 0.00 60.65 58.52 1x9f s ILE 47 Cb 0.09 -1.70 0.36 0.00 0.01 0.00 0.00 42.46 41.22 1x9f s ILE 47 CO 0.83 -0.93 1.98 1.55 0.00 0.00 0.00 174.94 178.36 1x9f h PRO 48 N 6.80 0.20 -0.02 2.79 0.13 -1.72 -0.73 132.00 139.45 1x9f h PRO 48 Ca 0.02 -0.01 0.01 0.00 -0.87 0.00 0.00 66.00 65.14 1x9f h PRO 48 Cb 0.94 -0.05 -0.00 0.00 0.13 0.00 0.00 31.00 32.02 1x9f h PRO 48 CO 0.41 0.13 0.20 1.05 -0.23 0.00 0.00 178.00 179.57 1x9f h GLU 49 N 0.21 0.00 -0.41 0.86 4.11 -1.95 -2.02 114.58 115.37 1x9f h GLU 49 Ca 0.28 0.00 -0.08 0.00 0.07 0.00 0.00 59.36 59.63 1x9f h GLU 49 Cb 0.80 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.04 1x9f h GLU 49 CO -0.05 0.00 -0.06 0.28 0.07 0.00 0.00 179.01 179.25 1x9f h VAL 50 N 0.00 1.24 -1.02 -1.06 2.07 -1.42 -2.50 116.25 113.56 1x9f h VAL 50 Ca 0.01 -1.04 0.25 0.00 0.82 0.00 0.00 66.70 66.74 1x9f h VAL 50 Cb 0.42 0.99 -0.12 0.00 -1.52 0.00 0.00 31.29 31.06 1x9f h VAL 50 CO -0.00 0.36 0.62 0.78 0.02 0.00 0.00 177.57 179.34 1x9f h ASN 51 N 0.65 0.63 -0.34 0.57 2.35 -1.56 -0.84 115.58 117.04 1x9f h ASN 51 Ca 0.12 0.12 -0.12 0.00 -0.55 0.00 0.00 56.30 55.87 1x9f h ASN 51 Cb 0.49 0.02 -0.01 0.00 0.05 0.00 0.00 38.32 38.87 1x9f h ASN 51 CO 0.03 0.11 -0.27 0.44 -1.65 0.00 0.00 177.43 176.09 1x9f h ASP 52 N 0.55 0.83 -0.52 5.81 3.45 -1.62 -3.03 116.42 121.88 1x9f h ASP 52 Ca 0.63 -0.45 0.12 0.00 0.43 0.00 0.00 57.03 57.76 1x9f h ASP 52 Cb 1.28 -0.23 -0.03 0.00 -0.56 0.00 0.00 39.33 39.79 1x9f h ASP 52 CO -0.42 1.10 0.36 -0.07 -1.57 0.00 0.00 179.24 178.64 1x9f h LEU 53 N 0.56 0.14 -3.55 1.55 3.38 -1.14 -1.77 115.31 114.48 1x9f h LEU 53 Ca 0.06 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.88 1x9f h LEU 53 Cb 0.84 -0.02 -0.09 0.00 0.09 0.00 0.00 40.66 41.47 1x9f h LEU 53 CO 0.07 0.08 0.15 0.49 0.09 0.00 0.00 178.44 179.32 1x9f n PHE 54 N -4.43 1.85 -0.18 1.13 3.01 -0.91 -4.56 117.46 113.37 1x9f n PHE 54 Ca 0.09 -1.19 -0.08 0.00 1.01 0.00 0.00 57.45 57.28 1x9f n PHE 54 Cb 0.49 -0.56 0.01 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 2.16 0.73 -0.25 -1.08 3.64 -1.23 -2.66 116.57 117.89 1x9f h LYS 55 Ca 0.19 -0.10 0.06 0.00 -1.27 0.00 0.00 60.65 59.54 1x9f h LYS 55 Cb 2.00 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 33.68 1x9f h LYS 55 CO 0.55 0.60 0.18 -0.09 -2.27 0.00 0.00 179.45 178.42 1x9f h ARG 56 N 0.67 0.03 -0.66 1.90 1.12 -1.81 -1.58 114.38 114.05 1x9f h ARG 56 Ca 0.17 -0.00 0.00 0.00 -1.11 0.00 0.00 59.98 59.04 1x9f h ARG 56 Cb 0.11 -0.01 0.00 0.00 -0.01 0.00 0.00 29.97 30.06 1x9f h ARG 56 CO -0.02 0.02 0.00 1.33 -3.11 0.00 0.00 179.97 178.19 1x9f n VAL 57 N -4.47 0.87 -3.27 0.20 0.24 -1.05 -4.97 118.33 105.88 1x9f n VAL 57 Ca 0.03 -0.93 -0.15 0.00 -2.04 0.00 0.00 64.34 61.24 1x9f n VAL 57 Cb 0.30 0.61 0.08 0.00 -1.47 0.00 0.00 33.84 33.37 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 1.63 -3.31 0.24 -1.34 2.03 -0.60 -1.69 116.55 113.52 1x9f n ASP 58 Ca 0.23 -0.60 0.11 0.00 0.52 0.00 0.00 54.79 55.05 1x9f n ASP 58 Cb 0.62 -4.82 0.70 0.00 -0.72 0.00 0.00 41.12 36.91 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 -1.54 0.87 -1.11 5.18 2.10 -1.71 -2.43 117.51 118.87 1x9f h ILE 59 Ca -0.55 0.00 0.31 0.00 1.08 0.00 0.00 64.86 65.70 1x9f h ILE 59 Cb 1.31 0.97 -0.10 0.00 -1.09 0.00 0.00 36.82 37.90 1x9f h ILE 59 CO 0.45 0.00 0.71 -0.08 -1.08 0.00 0.00 178.15 178.15 1x9f h GLU 60 N 0.00 0.29 -2.29 2.19 4.81 -1.90 -1.19 114.58 116.49 1x9f h GLU 60 Ca 0.03 -0.02 -0.61 0.00 -0.13 0.00 0.00 59.36 58.63 1x9f h GLU 60 Cb 0.11 -0.07 -0.42 0.00 0.63 0.00 0.00 28.75 29.01 1x9f h GLU 60 CO -0.00 0.20 -0.54 0.72 -0.73 0.00 0.00 179.01 178.65 1x9f n HIS 61 N -4.65 3.60 -0.36 0.92 8.25 -0.91 -4.95 115.22 117.12 1x9f n HIS 61 Ca 0.29 -4.13 0.28 0.00 -0.26 0.00 0.00 57.72 53.90 1x9f n HIS 61 Cb 1.03 -0.59 0.56 0.00 1.12 0.00 0.00 29.99 32.11 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 4.32 2.43 0.00 -1.41 0.00 -1.33 0.59 119.26 123.86 1x9f h ALA 62 Ca 0.20 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1x9f h ALA 62 Cb 0.67 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1x9f h ALA 62 CO 0.84 -0.90 0.00 -0.85 0.00 0.00 0.00 179.25 178.35 1x9f n GLU 63 N -4.61 0.01 -1.24 0.00 0.00 -1.26 -4.25 120.64 109.29 1x9f n GLU 63 Ca 0.29 0.06 -0.30 0.00 0.00 0.00 0.00 57.16 57.21 1x9f n GLU 63 Cb 1.06 -1.52 0.13 0.00 0.00 0.00 0.00 31.44 31.11 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 -3.03 1.62 0.35 -1.84 0.00 0.21 -4.82 107.32 99.81 1x9f s GLY 64 Ca 0.13 -0.05 0.08 0.00 0.00 0.00 0.00 44.72 44.87 1x9f s GLY 64 CO 0.49 0.42 1.85 -0.56 0.00 0.00 0.00 173.10 175.30 1x9f h PRO 65 N -1.47 0.30 0.16 2.90 0.13 -1.91 -1.92 132.00 130.19 1x9f h PRO 65 Ca -0.49 -0.08 0.02 0.00 -0.87 0.00 0.00 66.00 64.58 1x9f h PRO 65 Cb 1.28 -0.03 -0.04 0.00 0.13 0.00 0.00 31.00 32.34 1x9f h PRO 65 CO 0.55 0.48 -0.35 0.87 -0.23 0.00 0.00 178.00 179.31 1x9f h LYS 66 N 0.28 -0.59 0.00 0.86 1.79 -1.91 -1.93 116.57 115.08 1x9f h LYS 66 Ca 0.05 0.04 -0.15 0.00 -2.18 0.00 0.00 60.65 58.41 1x9f h LYS 66 Cb 0.48 0.13 -0.02 0.00 -1.58 0.00 0.00 32.23 31.24 1x9f h LYS 66 CO 0.03 -0.39 -0.72 0.35 -1.08 0.00 0.00 179.45 177.64 1x9f h PHE 67 N -0.61 0.00 -0.08 -1.35 3.57 -1.26 -2.86 116.94 114.35 1x9f h PHE 67 Ca 0.02 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.52 1x9f h PHE 67 Cb 0.62 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.35 1x9f h PHE 67 CO -0.29 0.72 0.04 0.77 -2.23 0.00 0.00 178.31 177.32 1x9f h SER 68 N 0.00 0.07 -0.73 0.41 0.02 -1.27 0.19 113.55 112.24 1x9f h SER 68 Ca -0.01 0.00 0.03 0.00 -0.84 0.00 0.00 61.79 60.97 1x9f h SER 68 Cb 1.28 -0.01 -0.04 0.00 0.14 0.00 0.00 62.40 63.77 1x9f h SER 68 CO 0.09 0.05 0.46 0.00 -1.14 0.00 0.00 176.83 176.30 1x9f h ALA 69 N 1.04 0.95 -0.62 3.77 0.00 -1.28 -1.58 119.26 121.53 1x9f h ALA 69 Ca 0.03 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1x9f h ALA 69 Cb 0.00 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 1x9f h ALA 69 CO -0.02 0.26 0.18 1.25 0.00 0.00 0.00 179.25 180.92 1x9f h HIS 70 N 0.91 1.02 -0.91 0.00 6.17 -1.23 -0.51 115.15 120.60 1x9f h HIS 70 Ca 0.29 -0.11 0.07 0.00 0.71 0.00 0.00 60.37 61.33 1x9f h HIS 70 Cb 0.00 -0.29 -0.06 0.00 2.52 0.00 0.00 27.41 29.58 1x9f h HIS 70 CO -0.04 0.84 0.57 0.00 0.71 0.00 0.00 177.93 180.01 1x9f h ALA 71 N 1.06 1.26 -0.56 5.26 0.00 -0.05 -0.74 119.26 125.49 1x9f h ALA 71 Ca 0.20 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.04 1x9f h ALA 71 Cb 0.31 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1x9f h ALA 71 CO -0.00 0.32 0.13 -0.07 0.00 0.00 0.00 179.25 179.62 1x9f h LEU 72 N 1.02 0.85 -0.35 0.00 3.38 -0.91 -1.67 115.31 117.63 1x9f h LEU 72 Ca 0.40 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 1x9f h LEU 72 Cb 0.19 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 1x9f h LEU 72 CO -0.18 0.87 0.20 -0.09 0.09 0.00 0.00 178.44 179.33 1x9f h ARG 73 N 0.80 0.49 -0.35 1.13 2.43 0.25 0.21 114.38 119.34 1x9f h ARG 73 Ca 0.17 -0.06 -0.05 0.00 -0.81 0.00 0.00 59.98 59.24 1x9f h ARG 73 Cb 0.35 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.79 1x9f h ARG 73 CO 0.00 0.40 0.02 0.97 -1.51 0.00 0.00 179.97 179.86 1x9f h ILE 74 N 0.45 1.25 -0.89 1.20 2.10 -1.21 -0.64 117.51 119.77 1x9f h ILE 74 Ca 0.13 -0.92 0.00 0.00 1.08 0.00 0.00 64.86 65.14 1x9f h ILE 74 Cb 0.05 1.16 -0.04 0.00 -1.09 0.00 0.00 36.82 36.89 1x9f h ILE 74 CO -0.02 0.31 0.56 -0.07 -1.08 0.00 0.00 178.15 177.84 1x9f h LEU 75 N 0.43 1.05 -0.99 2.19 -0.00 -1.03 -0.16 115.31 116.80 1x9f h LEU 75 Ca 0.10 -0.05 -0.11 0.00 -0.00 0.00 0.00 57.88 57.82 1x9f h LEU 75 Cb 0.42 -0.26 -0.01 0.00 -0.00 0.00 0.00 40.66 40.80 1x9f h LEU 75 CO 0.01 0.79 -0.49 0.78 -0.00 0.00 0.00 178.44 179.53 1x9f h ASN 76 N 1.21 0.03 -0.07 -0.43 4.21 -0.91 0.17 115.58 119.80 1x9f h ASN 76 Ca 0.32 -0.01 0.00 0.00 1.21 0.00 0.00 56.30 57.82 1x9f h ASN 76 Cb -0.08 -0.01 -0.01 0.00 -1.12 0.00 0.00 38.32 37.10 1x9f h ASN 76 CO -0.06 0.52 0.03 1.23 -1.29 0.00 0.00 177.43 177.86 1x9f h GLY 77 N 1.47 0.09 1.42 2.83 0.00 -0.24 0.36 103.07 109.00 1x9f h GLY 77 Ca -0.00 -0.02 -0.10 0.00 0.00 0.00 0.00 47.33 47.20 1x9f h GLY 77 CO 0.07 0.02 -0.18 -2.00 0.00 0.00 0.00 176.54 174.44 1x9f h LEU 78 N 0.07 0.68 -1.10 3.11 5.85 -0.82 -2.59 115.31 120.52 1x9f h LEU 78 Ca 0.03 -0.22 -0.07 0.00 0.84 0.00 0.00 57.88 58.46 1x9f h LEU 78 Cb 0.01 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 40.83 1x9f h LEU 78 CO -0.02 0.87 -0.10 -0.78 -0.34 0.00 0.00 178.44 178.07 1x9f h ASP 79 N 0.61 0.50 -0.06 1.25 -0.00 -0.35 -1.55 116.42 116.81 1x9f h ASP 79 Ca 0.09 -0.12 -0.00 0.00 -0.00 0.00 0.00 57.03 57.00 1x9f h ASP 79 Cb 0.65 -0.13 -0.00 0.00 -0.00 0.00 0.00 39.33 39.84 1x9f h ASP 79 CO 0.05 0.64 0.03 0.25 -0.00 0.00 0.00 179.24 180.20 1x9f h LEU 80 N 0.48 0.09 -0.01 2.28 5.85 0.02 -1.06 115.31 122.96 1x9f h LEU 80 Ca 0.09 -0.14 -0.00 0.00 0.84 0.00 0.00 57.88 58.67 1x9f h LEU 80 Cb 0.47 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.47 1x9f h LEU 80 CO 0.03 0.20 0.01 0.00 -0.34 0.00 0.00 178.44 178.33 1x9f h ALA 81 N 0.89 0.01 -0.55 1.25 0.00 -1.30 -2.00 119.26 117.56 1x9f h ALA 81 Ca 0.02 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 54.96 1x9f h ALA 81 Cb 0.14 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.87 1x9f h ALA 81 CO -0.00 -0.45 0.24 0.82 0.00 0.00 0.00 179.25 179.86 1x9f h ILE 82 N -0.06 0.88 0.00 0.00 2.04 -1.28 -1.44 117.51 117.66 1x9f h ILE 82 Ca 0.00 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.70 1x9f h ILE 82 Cb 0.07 0.38 0.00 0.00 -0.74 0.00 0.00 36.82 36.53 1x9f h ILE 82 CO -0.00 0.08 0.00 0.59 0.00 0.00 0.00 178.15 178.82 1x9f n ASN 83 N -4.93 0.00 -0.52 1.72 3.02 -0.41 -2.19 115.26 111.95 1x9f n ASN 83 Ca 0.06 -0.01 0.05 0.00 -0.03 0.00 0.00 54.58 54.65 1x9f n ASN 83 Cb 0.19 -0.27 0.11 0.00 -0.61 0.00 0.00 39.78 39.20 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 -1.27 2.58 0.17 3.41 4.77 -0.59 -4.65 117.00 121.41 1x9f n LEU 84 Ca 0.09 -1.76 0.09 0.00 -0.03 0.00 0.00 56.01 54.40 1x9f n LEU 84 Cb 0.15 -0.16 0.60 0.00 -2.33 0.00 0.00 43.42 41.68 1x9f n LEU 84 CO 0.14 0.62 1.11 -0.07 -1.33 0.00 0.00 177.39 177.86 1x9f h LEU 85 N 1.83 0.11 -0.31 2.23 3.38 -0.94 0.20 115.31 121.81 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 0.63 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.36 1x9f h LEU 85 CO 0.00 0.07 0.00 -0.67 0.09 0.00 0.00 178.44 177.93 1x9f n ASP 86 N -4.51 0.45 -3.19 -0.43 4.64 -1.26 -4.21 116.55 108.04 1x9f n ASP 86 Ca 0.00 -1.99 -0.22 0.00 -1.38 0.00 0.00 54.79 51.20 1x9f n ASP 86 Cb 0.15 -0.06 -0.06 0.00 -1.04 0.00 0.00 41.12 40.11 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 -0.26 -0.63 -0.26 1.67 -0.08 0.06 -5.05 116.55 112.00 1x9f n ASP 87 Ca 0.03 -2.65 0.05 0.00 -1.51 0.00 0.00 54.79 50.71 1x9f n ASP 87 Cb 0.07 -0.20 0.15 0.00 2.34 0.00 0.00 41.12 43.48 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 4.66 0.08 -0.58 -0.67 0.13 -1.73 -0.59 132.00 133.30 1x9f h PRO 88 Ca 0.12 -0.01 -0.08 0.00 -0.87 0.00 0.00 66.00 65.16 1x9f h PRO 88 Cb 0.92 -0.02 -0.02 0.00 0.13 0.00 0.00 31.00 32.01 1x9f h PRO 88 CO 0.38 0.06 0.05 -1.00 -0.23 0.00 0.00 178.00 177.25 1x9f h PRO 89 N 0.09 0.99 -0.69 1.56 0.13 -1.97 0.66 132.00 132.77 1x9f h PRO 89 Ca 0.41 -0.29 -0.04 0.00 -0.87 0.00 0.00 66.00 65.21 1x9f h PRO 89 Cb 0.71 -0.10 -0.03 0.00 0.13 0.00 0.00 31.00 31.70 1x9f h PRO 89 CO -0.68 0.96 0.27 0.00 -0.23 0.00 0.00 178.00 178.33 1x9f h ALA 90 N 0.99 1.19 -0.15 -0.56 0.00 -1.73 -1.75 119.26 117.24 1x9f h ALA 90 Ca 0.17 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1x9f h ALA 90 Cb 0.49 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1x9f h ALA 90 CO 0.02 0.59 0.07 1.25 0.00 0.00 0.00 179.25 181.18 1x9f h LEU 91 N 0.99 0.20 -0.68 0.00 5.85 -0.54 -1.07 115.31 120.07 1x9f h LEU 91 Ca 0.23 -0.13 0.04 0.00 0.84 0.00 0.00 57.88 58.86 1x9f h LEU 91 Cb 0.19 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.12 1x9f h LEU 91 CO -0.02 0.27 0.41 0.44 -0.34 0.00 0.00 178.44 179.21 1x9f h ASP 92 N 0.12 0.66 -0.37 1.25 5.19 -0.71 0.27 116.42 122.83 1x9f h ASP 92 Ca 0.05 0.01 0.02 0.00 -0.62 0.00 0.00 57.03 56.49 1x9f h ASP 92 Cb 0.13 -0.13 -0.02 0.00 0.18 0.00 0.00 39.33 39.48 1x9f h ASP 92 CO -0.01 0.44 0.21 0.00 -3.12 0.00 0.00 179.24 176.77 1x9f h ALA 93 N 1.31 0.46 -0.53 3.45 0.00 -1.11 0.20 119.26 123.05 1x9f h ALA 93 Ca 0.29 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 1x9f h ALA 93 Cb 0.08 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 1x9f h ALA 93 CO -0.13 -0.13 0.30 0.00 0.00 0.00 0.00 179.25 179.28 1x9f h ALA 94 N 1.17 0.68 -0.01 0.00 0.00 -0.43 -1.80 119.26 118.88 1x9f h ALA 94 Ca 0.15 -0.09 -0.18 0.00 0.00 0.00 0.00 54.91 54.79 1x9f h ALA 94 Cb 0.01 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1x9f h ALA 94 CO -0.07 0.20 -0.80 -0.07 0.00 0.00 0.00 179.25 178.50 1x9f h LEU 95 N 0.71 0.17 -0.33 0.00 3.38 -0.21 -2.28 115.31 116.76 1x9f h LEU 95 Ca 0.19 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 1x9f h LEU 95 Cb 0.04 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 1x9f h LEU 95 CO -0.03 0.90 0.18 -0.78 0.09 0.00 0.00 178.44 178.80 1x9f h ASP 96 N 0.08 0.41 -0.32 -0.43 3.58 -0.48 0.15 116.42 119.41 1x9f h ASP 96 Ca -0.03 -0.09 0.05 0.00 0.42 0.00 0.00 57.03 57.39 1x9f h ASP 96 Cb 1.40 -0.10 -0.05 0.00 1.72 0.00 0.00 39.33 42.30 1x9f h ASP 96 CO 0.12 0.38 0.03 -0.74 -2.88 0.00 0.00 179.24 176.15 1x9f h HIS 97 N 0.41 0.04 -0.86 0.28 2.76 -1.20 -1.36 115.15 115.22 1x9f h HIS 97 Ca 0.12 0.02 0.03 0.00 -2.20 0.00 0.00 60.37 58.34 1x9f h HIS 97 Cb 0.06 0.03 -0.05 0.00 1.55 0.00 0.00 27.41 29.01 1x9f h HIS 97 CO -0.03 -0.02 0.56 -0.07 -1.30 0.00 0.00 177.93 177.07 1x9f h LEU 98 N 0.13 0.93 -0.51 0.26 3.38 -1.15 -2.08 115.31 116.27 1x9f h LEU 98 Ca 0.15 -0.01 0.07 0.00 0.09 0.00 0.00 57.88 58.18 1x9f h LEU 98 Cb 0.19 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 40.67 1x9f h LEU 98 CO -0.23 0.65 0.19 0.00 0.09 0.00 0.00 178.44 179.14 1x9f h ALA 99 N 1.35 0.62 -0.53 1.53 0.00 0.10 -1.26 119.26 121.07 1x9f h ALA 99 Ca 0.34 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.31 1x9f h ALA 99 Cb -0.02 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1x9f h ALA 99 CO -0.11 -0.20 0.32 0.45 0.00 0.00 0.00 179.25 179.70 1x9f h HIS 100 N 0.37 0.70 -0.27 0.00 3.86 -0.90 0.76 115.15 119.67 1x9f h HIS 100 Ca 0.24 -0.00 0.05 0.00 -1.16 0.00 0.00 60.37 59.50 1x9f h HIS 100 Cb 0.25 -0.23 -0.01 0.00 1.06 0.00 0.00 27.41 28.48 1x9f h HIS 100 CO -0.16 0.48 0.19 1.96 0.86 0.00 0.00 177.93 181.26 1x9f h GLN 101 N 0.71 0.14 0.00 2.45 4.20 -0.58 -1.59 115.11 120.44 1x9f h GLN 101 Ca 0.19 -0.01 -0.29 0.00 0.06 0.00 0.00 58.65 58.61 1x9f h GLN 101 Cb -0.01 -0.03 -0.05 0.00 0.30 0.00 0.00 27.48 27.69 1x9f h GLN 101 CO -0.04 0.09 -1.67 0.45 -0.67 0.00 0.00 178.83 177.00 1x9f h HIS 102 N 0.14 0.00 -0.47 2.96 3.86 -1.06 -3.36 115.15 117.23 1x9f h HIS 102 Ca 0.12 0.00 0.07 0.00 -1.16 0.00 0.00 60.37 59.40 1x9f h HIS 102 Cb 0.30 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 28.71 1x9f h HIS 102 CO -0.00 1.00 0.12 1.49 0.86 0.00 0.00 177.93 181.39 1x9f h GLU 103 N 0.00 0.26 0.00 2.45 4.81 0.05 -1.75 114.58 120.40 1x9f h GLU 103 Ca -0.27 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.95 1x9f h GLU 103 Cb 2.00 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 31.32 1x9f h GLU 103 CO 0.08 0.17 0.00 1.33 -0.73 0.00 0.00 179.01 179.86 1x9f n VAL 104 N -5.07 0.00 -3.82 0.32 0.24 -0.69 -4.61 118.33 104.69 1x9f n VAL 104 Ca 0.05 0.00 -0.36 0.00 -2.04 0.00 0.00 64.34 61.98 1x9f n VAL 104 Cb 0.21 -0.25 -0.13 0.00 -1.47 0.00 0.00 33.84 32.19 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 3.19 0.09 7.34 1.81 -0.66 -5.08 118.95 123.64 1x9f s ARG 105 Ca 0.03 -0.77 -0.31 0.00 -1.72 0.00 0.00 55.73 52.96 1x9f s ARG 105 Cb 0.02 -3.22 -0.07 0.00 -0.45 0.00 0.00 34.95 31.23 1x9f s ARG 105 CO 0.03 -0.35 1.29 -1.83 -0.68 0.00 0.00 175.30 173.76 1x9f s GLU 106 N 1.48 4.38 0.00 3.54 -1.05 -1.26 -3.56 118.70 122.23 1x9f s GLU 106 Ca 0.03 1.92 0.00 0.00 -0.15 0.00 0.00 54.97 56.77 1x9f s GLU 106 Cb -0.16 -3.29 0.00 0.00 -0.44 0.00 0.00 34.13 30.23 1x9f s GLU 106 CO 0.00 -0.33 0.00 0.41 0.95 0.00 0.00 175.26 176.29 1x9f n GLY 107 N 3.29 3.00 3.68 -3.83 0.00 -1.26 -4.93 105.19 105.13 1x9f n GLY 107 Ca 0.10 -0.97 -0.44 0.00 0.00 0.00 0.00 46.02 44.71 1x9f n GLY 107 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1x9f n VAL 108 N 0.00 0.55 -4.22 1.61 0.31 -1.23 -4.98 118.33 110.37 1x9f n VAL 108 Ca 0.00 -0.10 -0.13 0.00 -0.01 0.00 0.00 64.34 64.11 1x9f n VAL 108 Cb 0.00 -2.10 -0.10 0.00 -0.91 0.00 0.00 33.84 30.73 1x9f n VAL 108 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1x9f s GLN 109 N 3.60 1.00 0.39 5.55 -2.07 -1.26 -4.95 119.66 121.92 1x9f s GLN 109 Ca 0.87 -1.44 0.19 0.00 -1.82 0.00 0.00 55.36 53.16 1x9f s GLN 109 Cb -0.53 -0.32 1.12 0.00 -1.09 0.00 0.00 33.01 32.19 1x9f s GLN 109 CO 0.43 -0.04 1.74 0.87 -1.32 0.00 0.00 175.29 176.96 1x9f h LYS 110 N 2.81 0.36 -0.98 9.60 1.57 -1.89 0.47 116.57 128.51 1x9f h LYS 110 Ca -0.36 -0.02 0.09 0.00 -1.87 0.00 0.00 60.65 58.49 1x9f h LYS 110 Cb 1.19 -0.08 -0.07 0.00 0.08 0.00 0.00 32.23 33.34 1x9f h LYS 110 CO 0.64 0.24 0.63 0.00 -0.57 0.00 0.00 179.45 180.38 1x9f h ALA 111 N 1.64 1.50 -0.56 3.86 0.00 -1.98 -1.54 119.26 122.18 1x9f h ALA 111 Ca 0.64 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.54 1x9f h ALA 111 Cb 1.63 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 19.14 1x9f h ALA 111 CO -0.35 0.30 0.34 0.45 0.00 0.00 0.00 179.25 179.99 1x9f h HIS 112 N 1.04 0.74 0.00 0.00 3.86 -1.31 -2.52 115.15 116.96 1x9f h HIS 112 Ca 0.45 -0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.60 1x9f h HIS 112 Cb 0.35 -0.24 -0.01 0.00 1.06 0.00 0.00 27.41 28.57 1x9f h HIS 112 CO -0.00 0.50 -0.28 0.74 0.86 0.00 0.00 177.93 179.75 1x9f h PHE 113 N 0.75 0.00 -0.19 2.45 -1.00 -1.33 -1.29 116.94 116.33 1x9f h PHE 113 Ca 0.20 0.00 -0.13 0.00 2.81 0.00 0.00 57.97 60.85 1x9f h PHE 113 Cb -0.02 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.54 1x9f h PHE 113 CO -0.02 0.28 -0.38 -0.22 -1.61 0.00 0.00 178.31 176.35 1x9f h LYS 114 N 0.00 0.59 -0.36 1.51 3.64 -1.04 -2.30 116.57 118.61 1x9f h LYS 114 Ca -0.00 -0.39 -0.03 0.00 -1.27 0.00 0.00 60.65 58.96 1x9f h LYS 114 Cb 0.66 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.52 1x9f h LYS 114 CO 0.04 1.00 0.09 -0.22 -2.27 0.00 0.00 179.45 178.09 1x9f h LYS 115 N 0.26 0.58 -0.49 1.90 3.11 -1.29 -2.81 116.57 117.82 1x9f h LYS 115 Ca 0.01 -0.14 0.05 0.00 -2.81 0.00 0.00 60.65 57.76 1x9f h LYS 115 Cb 0.99 -0.08 -0.05 0.00 -1.00 0.00 0.00 32.23 32.09 1x9f h LYS 115 CO 0.09 0.62 0.23 0.35 -2.81 0.00 0.00 179.45 177.92 1x9f h PHE 116 N 0.43 0.42 -0.73 1.91 3.04 -1.25 -0.44 116.94 120.31 1x9f h PHE 116 Ca 0.11 0.02 0.15 0.00 3.98 0.00 0.00 57.97 62.23 1x9f h PHE 116 Cb 0.30 -0.11 -0.10 0.00 2.56 0.00 0.00 35.95 38.59 1x9f h PHE 116 CO 0.02 0.19 0.24 0.78 -2.02 0.00 0.00 178.31 177.52 1x9f h GLY 117 N 0.45 1.07 0.85 2.40 0.00 -1.27 0.19 103.07 106.76 1x9f h GLY 117 Ca 0.22 -0.10 -0.02 0.00 0.00 0.00 0.00 47.33 47.43 1x9f h GLY 117 CO -0.17 -0.13 -0.16 0.83 0.00 0.00 0.00 176.54 176.90 1x9f h GLU 118 N 0.37 -0.43 -1.01 4.80 5.08 -0.92 0.03 114.58 122.49 1x9f h GLU 118 Ca 0.41 0.03 0.11 0.00 -1.00 0.00 0.00 59.36 58.91 1x9f h GLU 118 Cb 0.64 0.10 -0.08 0.00 0.50 0.00 0.00 28.75 29.91 1x9f h GLU 118 CO -0.44 -0.19 0.64 0.82 -1.00 0.00 0.00 179.01 178.84 1x9f h ILE 119 N -0.60 0.94 -0.37 3.13 2.04 -0.70 -0.27 117.51 121.67 1x9f h ILE 119 Ca -0.05 -0.35 -0.12 0.00 1.00 0.00 0.00 64.86 65.35 1x9f h ILE 119 Cb 0.44 -0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 36.34 1x9f h ILE 119 CO 0.08 0.19 -0.23 0.25 0.00 0.00 0.00 178.15 178.43 1x9f h LEU 120 N 1.02 0.84 -0.99 1.44 5.85 -0.47 -0.32 115.31 122.68 1x9f h LEU 120 Ca 0.49 -0.42 -0.05 0.00 0.84 0.00 0.00 57.88 58.73 1x9f h LEU 120 Cb 0.46 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 1x9f h LEU 120 CO -0.25 1.08 0.11 0.00 -0.34 0.00 0.00 178.44 179.04 1x9f h ALA 121 N 0.79 1.18 -0.23 1.25 0.00 -0.04 -1.23 119.26 120.98 1x9f h ALA 121 Ca 0.08 -0.22 -0.13 0.00 0.00 0.00 0.00 54.91 54.64 1x9f h ALA 121 Cb 0.79 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 1x9f h ALA 121 CO 0.06 0.55 -0.37 1.15 0.00 0.00 0.00 179.25 180.65 1x9f h THR 122 N 0.81 1.32 -0.22 0.00 2.02 -0.98 -3.37 112.91 112.48 1x9f h THR 122 Ca 0.17 -1.57 -0.11 0.00 0.77 0.00 0.00 66.41 65.67 1x9f h THR 122 Cb 0.32 1.78 -0.00 0.00 -1.74 0.00 0.00 68.15 68.51 1x9f h THR 122 CO 0.00 0.49 -0.30 1.23 0.37 0.00 0.00 175.52 177.31 1x9f h GLY 123 N 0.35 0.65 0.32 2.16 0.00 -0.83 -3.34 103.07 102.37 1x9f h GLY 123 Ca 0.02 -0.71 0.08 0.00 0.00 0.00 0.00 47.33 46.72 1x9f h GLY 123 CO 0.08 0.64 0.04 1.41 0.00 0.00 0.00 176.54 178.71 1x9f h LEU 124 N 0.28 -0.11 -1.86 3.11 3.38 -1.39 0.17 115.31 118.89 1x9f h LEU 124 Ca 0.02 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1x9f h LEU 124 Cb 0.88 0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.79 1x9f h LEU 124 CO 0.07 -0.02 0.00 1.55 0.09 0.00 0.00 178.44 180.13 1x9f h PRO 125 N 0.16 0.00 0.00 1.13 0.13 -1.76 0.24 132.00 131.90 1x9f h PRO 125 Ca 0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.36 1x9f h PRO 125 Cb 0.32 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.45 1x9f h PRO 125 CO -0.35 0.00 0.00 1.04 -0.23 0.00 0.00 178.00 178.46 1x9f n GLN 126 N -2.88 0.18 -0.01 0.86 6.02 0.04 -3.76 117.38 117.82 1x9f n GLN 126 Ca -0.01 0.30 -0.01 0.00 -0.01 0.00 0.00 57.00 57.27 1x9f n GLN 126 Cb 0.19 -1.77 -0.02 0.00 1.02 0.00 0.00 30.24 29.65 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 -2.10 0.17 -3.62 5.09 0.24 -0.79 -4.98 118.33 112.35 1x9f n VAL 127 Ca 0.04 -0.10 -0.37 0.00 -2.04 0.00 0.00 64.34 61.87 1x9f n VAL 127 Cb 0.30 -0.85 -0.10 0.00 -1.47 0.00 0.00 33.84 31.71 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 -4.44 4.06 0.00 1.34 1.43 0.79 -4.96 118.68 116.90 1x9f s LEU 128 Ca -0.02 0.04 0.18 0.00 -1.03 0.00 0.00 54.13 53.30 1x9f s LEU 128 Cb 0.01 -2.12 0.93 0.00 0.03 0.00 0.00 46.19 45.04 1x9f s LEU 128 CO 0.09 -0.00 1.62 -0.90 0.23 0.00 0.00 176.35 177.39 1x9f n ASP 129 N 4.73 0.51 -3.71 2.29 5.68 -1.26 -4.44 116.55 120.35 1x9f n ASP 129 Ca -0.14 -1.54 -0.28 0.00 -0.50 0.00 0.00 54.79 52.32 1x9f n ASP 129 Cb 0.52 -0.03 -0.16 0.00 -1.14 0.00 0.00 41.12 40.31 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 -1.53 3.21 -0.17 -1.12 3.68 -1.26 -5.11 116.67 114.37 1x9f s ASP 130 Ca 0.27 -1.05 -0.04 0.00 2.13 0.00 0.00 52.55 53.87 1x9f s ASP 130 Cb 0.13 -0.61 0.08 0.00 -1.45 0.00 0.00 42.92 41.07 1x9f s ASP 130 CO 0.22 -0.35 0.20 -0.47 0.13 0.00 0.00 175.17 174.90 1x9f s TYR 131 N 1.84 -0.23 -0.63 -5.34 5.04 -1.26 -4.84 117.35 111.94 1x9f s TYR 131 Ca 0.03 0.33 -0.23 0.00 -2.44 0.00 0.00 57.07 54.76 1x9f s TYR 131 Cb -0.17 -0.34 0.06 0.00 0.35 0.00 0.00 41.96 41.86 1x9f s TYR 131 CO -0.15 -0.49 0.97 0.34 -1.34 0.00 0.00 175.55 174.88 1x9f s ASP 132 N 2.31 6.23 0.41 4.32 2.15 -1.26 -4.90 116.67 125.93 1x9f s ASP 132 Ca 0.05 -0.74 0.09 0.00 0.43 0.00 0.00 52.55 52.39 1x9f s ASP 132 Cb -0.15 -2.43 0.90 0.00 -0.30 0.00 0.00 42.92 40.95 1x9f s ASP 132 CO -0.10 -1.39 2.01 0.00 -0.17 0.00 0.00 175.17 175.53 1x9f h ALA 133 N 9.50 1.82 -0.09 3.66 0.00 -1.99 -1.81 119.26 130.35 1x9f h ALA 133 Ca -0.28 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.52 1x9f h ALA 133 Cb 1.07 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1x9f h ALA 133 CO 1.15 0.10 -0.31 -0.07 0.00 0.00 0.00 179.25 180.11 1x9f h LEU 134 N 0.54 0.43 -0.49 0.00 3.38 -1.99 -1.53 115.31 115.65 1x9f h LEU 134 Ca 0.23 -0.62 -0.07 0.00 0.09 0.00 0.00 57.88 57.51 1x9f h LEU 134 Cb 0.22 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 1x9f h LEU 134 CO -0.06 0.98 0.04 0.00 0.09 0.00 0.00 178.44 179.48 1x9f h ALA 135 N 0.47 0.66 -0.50 1.53 0.00 -1.86 -2.20 119.26 117.35 1x9f h ALA 135 Ca -0.01 -0.26 -0.08 0.00 0.00 0.00 0.00 54.91 54.55 1x9f h ALA 135 Cb 0.95 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 1x9f h ALA 135 CO 0.07 0.43 -0.01 -1.49 0.00 0.00 0.00 179.25 178.25 1x9f h TRP 136 N 0.71 0.98 0.16 0.00 4.06 -1.39 -2.04 115.95 118.43 1x9f h TRP 136 Ca 0.14 -0.17 0.00 0.00 2.06 0.00 0.00 58.89 60.92 1x9f h TRP 136 Cb 0.46 -0.25 -0.02 0.00 -1.00 0.00 0.00 29.16 28.35 1x9f h TRP 136 CO 0.03 0.92 -0.16 -0.22 -3.56 0.00 0.00 178.44 175.45 1x9f h LYS 137 N 0.76 -0.34 -0.52 0.49 3.64 -1.16 0.33 116.57 119.76 1x9f h LYS 137 Ca 0.14 0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.48 1x9f h LYS 137 Cb 0.53 0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.41 1x9f h LYS 137 CO 0.03 -0.23 0.05 0.66 -2.27 0.00 0.00 179.45 177.69 1x9f h SER 138 N -0.36 0.85 -0.31 4.20 4.64 -1.39 -1.47 113.55 119.71 1x9f h SER 138 Ca 0.00 -0.28 -0.05 0.00 -0.47 0.00 0.00 61.79 61.00 1x9f h SER 138 Cb 0.34 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 62.19 1x9f h SER 138 CO -0.05 0.91 -0.00 0.00 -0.87 0.00 0.00 176.83 176.82 1x9f h LEU 140 N 0.34 0.76 -0.26 0.00 3.38 -0.27 -2.51 115.31 116.76 1x9f h LEU 140 Ca 0.09 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1x9f h LEU 140 Cb 0.44 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1x9f h LEU 140 CO 0.02 0.68 0.13 0.50 0.09 0.00 0.00 178.44 179.86 1x9f h LYS 141 N 0.83 0.37 -0.22 1.13 3.64 -1.12 0.18 116.57 121.38 1x9f h LYS 141 Ca 0.20 -0.05 0.05 0.00 -1.27 0.00 0.00 60.65 59.58 1x9f h LYS 141 Cb 0.14 -0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 31.85 1x9f h LYS 141 CO -0.02 0.34 -0.08 0.78 -2.27 0.00 0.00 179.45 178.20 1x9f h GLY 142 N 0.30 0.12 0.83 5.01 0.00 -1.21 0.71 103.07 108.82 1x9f h GLY 142 Ca 0.09 0.11 -0.01 0.00 0.00 0.00 0.00 47.33 47.52 1x9f h GLY 142 CO -0.01 -0.11 -0.11 -2.22 0.00 0.00 0.00 176.54 174.09 1x9f h ILE 143 N -0.05 0.83 -0.52 2.60 2.04 -1.30 -2.33 117.51 118.78 1x9f h ILE 143 Ca 0.11 -0.35 -0.01 0.00 1.00 0.00 0.00 64.86 65.62 1x9f h ILE 143 Cb 0.22 1.04 -0.03 0.00 -0.74 0.00 0.00 36.82 37.32 1x9f h ILE 143 CO -0.26 0.08 0.30 -0.07 0.00 0.00 0.00 178.15 178.21 1x9f h LEU 144 N -0.48 0.63 -0.31 1.44 3.38 -0.46 -2.12 115.31 117.38 1x9f h LEU 144 Ca -0.03 -0.03 -0.14 0.00 0.09 0.00 0.00 57.88 57.76 1x9f h LEU 144 Cb 0.36 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 1x9f h LEU 144 CO 0.05 0.49 -0.35 0.74 0.09 0.00 0.00 178.44 179.46 1x9f h THR 145 N 0.72 1.29 -0.53 0.22 2.02 -0.82 -2.61 112.91 113.21 1x9f h THR 145 Ca 0.19 -1.53 -0.11 0.00 0.77 0.00 0.00 66.41 65.73 1x9f h THR 145 Cb -0.01 1.55 -0.02 0.00 -1.74 0.00 0.00 68.15 67.93 1x9f h THR 145 CO -0.03 0.50 -0.09 0.50 0.37 0.00 0.00 175.52 176.76 1x9f h LYS 146 N 0.56 0.99 0.00 6.66 1.63 -1.01 -1.53 116.57 123.87 1x9f h LYS 146 Ca 0.04 -0.35 -0.07 0.00 -0.85 0.00 0.00 60.65 59.42 1x9f h LYS 146 Cb 0.94 -0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 32.49 1x9f h LYS 146 CO 0.09 1.02 -0.34 0.82 -3.45 0.00 0.00 179.45 177.59 1x9f h ILE 147 N 0.88 1.18 -0.10 2.00 2.04 -1.40 -3.26 117.51 118.84 1x9f h ILE 147 Ca 0.14 -1.19 0.00 0.00 1.00 0.00 0.00 64.86 64.81 1x9f h ILE 147 Cb 0.64 1.65 0.00 0.00 -0.74 0.00 0.00 36.82 38.37 1x9f h ILE 147 CO 0.04 0.33 0.00 -1.54 0.00 0.00 0.00 178.15 176.99 1x9f n SER 148 N -4.04 2.76 -0.29 1.72 3.41 -0.98 -4.15 113.62 112.05 1x9f n SER 148 Ca -0.02 -1.84 -0.06 0.00 -0.26 0.00 0.00 58.87 56.70 1x9f n SER 148 Cb 0.39 -0.06 0.07 0.00 -0.26 0.00 0.00 64.21 64.35 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 3.79 1.10 0.00 4.04 4.64 -1.34 -2.29 113.55 123.50 1x9f h SER 149 Ca 0.00 -0.17 0.00 0.00 -0.47 0.00 0.00 61.79 61.15 1x9f h SER 149 Cb 0.83 -0.29 0.00 0.00 -0.31 0.00 0.00 62.40 62.63 1x9f h SER 149 CO 0.00 0.98 0.00 0.54 -0.87 0.00 0.00 176.83 177.48 1x9f n ARG 150 N -4.27 0.78 0.00 4.77 1.74 -1.26 -5.14 116.66 113.28 1x9f n ARG 150 Ca 0.07 0.00 0.07 0.00 -0.77 0.00 0.00 57.85 57.22 1x9f n ARG 150 Cb 0.19 -1.37 0.06 0.00 -1.02 0.00 0.00 32.46 30.32 1x9f n ARG 150 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39