#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x9f n LEU 3 N 5.38 0.00 -0.17 0.00 -0.00 -1.26 -4.76 117.00 116.19 1x9f n LEU 3 Ca -0.11 -0.59 -0.09 0.00 -0.00 0.00 0.00 56.01 55.22 1x9f n LEU 3 Cb 0.41 -0.48 0.01 0.00 -0.00 0.00 0.00 43.42 43.35 1x9f n LEU 3 CO 0.54 -1.41 0.93 0.58 -0.00 0.00 0.00 177.39 178.02 1x9f h VAL 4 N -1.91 1.22 -0.30 1.47 2.07 -1.98 -2.39 116.25 114.43 1x9f h VAL 4 Ca -0.20 -0.72 -0.13 0.00 0.82 0.00 0.00 66.70 66.47 1x9f h VAL 4 Cb 0.59 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 31.13 1x9f h VAL 4 CO 0.13 0.27 -0.36 0.71 0.02 0.00 0.00 177.57 178.33 1x9f h THR 5 N 0.65 1.29 -0.20 2.57 1.35 -1.99 -2.65 112.91 113.92 1x9f h THR 5 Ca 0.16 -1.52 -0.10 0.00 -0.55 0.00 0.00 66.41 64.40 1x9f h THR 5 Cb 0.24 1.45 -0.00 0.00 -1.73 0.00 0.00 68.15 68.12 1x9f h THR 5 CO -0.01 0.49 -0.27 -0.33 -0.25 0.00 0.00 175.52 175.15 1x9f h GLU 6 N 0.56 0.54 -0.65 4.72 5.08 -1.90 -0.96 114.58 121.97 1x9f h GLU 6 Ca 0.05 -0.31 -0.02 0.00 -1.00 0.00 0.00 59.36 58.08 1x9f h GLU 6 Cb 0.88 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.13 1x9f h GLU 6 CO 0.08 0.91 0.31 0.66 -1.00 0.00 0.00 179.01 179.96 1x9f h SER 7 N 0.21 0.84 -0.32 1.42 4.64 -1.47 0.74 113.55 119.61 1x9f h SER 7 Ca 0.02 -0.09 -0.01 0.00 -0.47 0.00 0.00 61.79 61.24 1x9f h SER 7 Cb 0.84 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 62.70 1x9f h SER 7 CO 0.06 0.72 0.14 0.25 -0.87 0.00 0.00 176.83 177.13 1x9f h LEU 8 N 0.93 0.42 -0.36 5.97 7.12 -1.37 0.52 115.31 128.54 1x9f h LEU 8 Ca 0.23 -0.14 0.01 0.00 0.13 0.00 0.00 57.88 58.10 1x9f h LEU 8 Cb 0.10 -0.11 -0.02 0.00 -0.53 0.00 0.00 40.66 40.11 1x9f h LEU 8 CO -0.03 0.45 0.23 0.50 -0.13 0.00 0.00 178.44 179.46 1x9f h LYS 9 N 0.37 0.45 -0.34 1.25 1.63 -0.46 -1.14 116.57 118.33 1x9f h LYS 9 Ca 0.11 -0.03 -0.02 0.00 -0.85 0.00 0.00 60.65 59.86 1x9f h LYS 9 Cb 0.15 -0.10 -0.02 0.00 -0.60 0.00 0.00 32.23 31.66 1x9f h LYS 9 CO -0.01 0.30 0.14 0.28 -3.45 0.00 0.00 179.45 176.71 1x9f h VAL 10 N 0.47 1.19 -0.36 2.00 2.07 -0.74 -0.63 116.25 120.25 1x9f h VAL 10 Ca 0.13 -0.57 0.07 0.00 0.82 0.00 0.00 66.70 67.15 1x9f h VAL 10 Cb -0.04 0.93 -0.06 0.00 -1.52 0.00 0.00 31.29 30.60 1x9f h VAL 10 CO -0.04 0.20 -0.02 0.11 0.02 0.00 0.00 177.57 177.84 1x9f h LYS 11 N 0.41 0.07 -0.10 1.57 1.57 -0.52 0.71 116.57 120.28 1x9f h LYS 11 Ca 0.11 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.88 1x9f h LYS 11 Cb 0.19 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.48 1x9f h LYS 11 CO -0.01 0.05 0.04 -0.07 -0.57 0.00 0.00 179.45 178.89 1x9f h LEU 12 N 0.07 0.14 -0.96 2.94 4.07 -0.96 -2.03 115.31 118.58 1x9f h LEU 12 Ca 0.18 -0.15 -0.10 0.00 0.08 0.00 0.00 57.88 57.88 1x9f h LEU 12 Cb 0.25 -0.04 -0.01 0.00 1.08 0.00 0.00 40.66 41.94 1x9f h LEU 12 CO -0.31 0.26 -0.37 1.56 -1.08 0.00 0.00 178.44 178.49 1x9f h GLN 13 N 0.01 0.29 -0.46 1.13 4.20 -0.94 -2.58 115.11 116.76 1x9f h GLN 13 Ca 0.03 -0.13 -0.04 0.00 0.06 0.00 0.00 58.65 58.57 1x9f h GLN 13 Cb 0.16 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.91 1x9f h GLN 13 CO -0.00 0.63 0.12 2.35 -0.67 0.00 0.00 178.83 181.26 1x9f h TRP 14 N 0.25 0.75 -0.98 2.96 -0.00 -0.76 -0.99 115.95 117.17 1x9f h TRP 14 Ca 0.03 -0.08 0.18 0.00 -0.00 0.00 0.00 58.89 59.01 1x9f h TRP 14 Cb 0.77 -0.21 -0.09 0.00 -0.00 0.00 0.00 29.16 29.63 1x9f h TRP 14 CO 0.02 0.68 0.61 0.00 -0.00 0.00 0.00 178.44 179.75 1x9f h ALA 15 N 0.98 1.75 0.01 2.65 0.00 -0.96 0.12 119.26 123.81 1x9f h ALA 15 Ca 0.14 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 1x9f h ALA 15 Cb 0.30 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1x9f h ALA 15 CO -0.00 -0.07 -0.01 0.77 0.00 0.00 0.00 179.25 179.94 1x9f h SER 16 N 0.74 -0.01 -0.16 0.00 0.02 -1.37 -3.28 113.55 109.50 1x9f h SER 16 Ca 0.53 -0.77 -0.07 0.00 -0.84 0.00 0.00 61.79 60.64 1x9f h SER 16 Cb 0.85 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.38 1x9f h SER 16 CO -0.31 0.84 -0.10 0.00 -1.14 0.00 0.00 176.83 176.12 1x9f h ALA 17 N -0.09 1.27 0.59 3.77 0.00 -0.92 -3.14 119.26 120.74 1x9f h ALA 17 Ca -0.00 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.63 1x9f h ALA 17 Cb 0.79 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 18.45 1x9f h ALA 17 CO 0.00 0.48 -0.28 0.35 0.00 0.00 0.00 179.25 179.80 1x9f h PHE 18 N 0.47 -0.73 -0.06 0.00 3.57 -0.93 -3.48 116.94 115.77 1x9f h PHE 18 Ca 0.09 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.57 1x9f h PHE 18 Cb 0.45 0.24 0.00 0.00 2.79 0.00 0.00 35.95 39.44 1x9f h PHE 18 CO 0.02 -0.41 0.00 0.41 -2.23 0.00 0.00 178.31 176.10 1x9f n GLY 19 N -1.04 -1.33 0.00 2.40 0.00 -1.19 -3.71 105.19 100.32 1x9f n GLY 19 Ca -0.12 -1.28 0.00 0.00 0.00 0.00 0.00 46.02 44.62 1x9f n GLY 19 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1x9f n HIS 20 N 0.00 0.00 0.00 1.61 -0.00 -1.26 -4.75 115.22 110.82 1x9f n HIS 20 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 1x9f n HIS 20 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 1x9f n HIS 20 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1x9f n ALA 21 N -3.00 0.00 0.18 -1.41 0.00 -1.26 -2.95 120.51 112.07 1x9f n ALA 21 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.46 1x9f n ALA 21 Cb 0.00 0.00 0.32 0.00 0.00 0.00 0.00 19.45 19.77 1x9f n ALA 21 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1x9f h HIS 22 N 0.00 0.00 -0.49 0.00 -0.00 -1.99 -2.81 115.15 109.86 1x9f h HIS 22 Ca 0.00 0.00 0.06 0.00 -0.00 0.00 0.00 60.37 60.43 1x9f h HIS 22 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 27.41 27.38 1x9f h HIS 22 CO 0.00 0.43 0.33 0.93 -0.00 0.00 0.00 177.93 179.62 1x9f h GLU 23 N 0.00 0.43 -0.14 5.26 5.08 -1.89 -1.23 114.58 122.09 1x9f h GLU 23 Ca -0.00 -0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.28 1x9f h GLU 23 Cb 0.81 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.96 1x9f h GLU 23 CO 0.06 0.29 -0.11 0.00 -1.00 0.00 0.00 179.01 178.24 1x9f h ARG 24 N 0.45 0.33 -0.72 2.33 3.08 -1.38 -2.47 114.38 115.99 1x9f h ARG 24 Ca 0.21 -0.16 0.09 0.00 0.07 0.00 0.00 59.98 60.19 1x9f h ARG 24 Cb 0.27 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.26 1x9f h ARG 24 CO -0.05 0.69 0.38 0.28 -1.07 0.00 0.00 179.97 180.19 1x9f h VAL 25 N -0.04 0.88 -0.16 2.04 2.07 -1.42 -0.56 116.25 119.06 1x9f h VAL 25 Ca 0.03 -0.22 -0.14 0.00 0.82 0.00 0.00 66.70 67.19 1x9f h VAL 25 Cb 0.62 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.56 1x9f h VAL 25 CO 0.03 0.12 -0.48 0.00 0.02 0.00 0.00 177.57 177.26 1x9f h ALA 26 N 1.42 0.87 -0.06 1.67 0.00 -1.26 -2.66 119.26 119.23 1x9f h ALA 26 Ca 0.35 -0.47 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1x9f h ALA 26 Cb 0.33 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 1x9f h ALA 26 CO -0.25 0.66 0.01 0.35 0.00 0.00 0.00 179.25 180.02 1x9f h PHE 27 N 0.34 0.10 -0.90 0.00 3.04 -0.91 -2.12 116.94 116.50 1x9f h PHE 27 Ca 0.02 -0.02 0.03 0.00 3.98 0.00 0.00 57.97 61.98 1x9f h PHE 27 Cb 0.97 -0.03 -0.05 0.00 2.56 0.00 0.00 35.95 39.40 1x9f h PHE 27 CO 0.03 0.34 0.59 0.78 -2.02 0.00 0.00 178.31 178.02 1x9f h GLY 28 N -0.16 1.29 0.77 2.40 0.00 -1.10 -0.99 103.07 105.29 1x9f h GLY 28 Ca 0.02 -0.45 -0.01 0.00 0.00 0.00 0.00 47.33 46.89 1x9f h GLY 28 CO 0.00 0.41 0.01 -2.00 0.00 0.00 0.00 176.54 174.96 1x9f h LEU 29 N 1.16 0.12 -0.74 3.11 5.85 -1.42 -1.19 115.31 122.19 1x9f h LEU 29 Ca 0.35 -0.27 0.04 0.00 0.84 0.00 0.00 57.88 58.84 1x9f h LEU 29 Cb -0.04 -0.03 -0.05 0.00 0.37 0.00 0.00 40.66 40.91 1x9f h LEU 29 CO -0.10 0.35 0.46 -0.08 -0.34 0.00 0.00 178.44 178.73 1x9f h GLU 30 N -0.13 0.85 0.60 1.25 4.81 -1.12 0.56 114.58 121.40 1x9f h GLU 30 Ca 0.02 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.18 1x9f h GLU 30 Cb 0.29 -0.19 -0.00 0.00 0.63 0.00 0.00 28.75 29.47 1x9f h GLU 30 CO 0.00 0.57 -0.37 1.25 -0.73 0.00 0.00 179.01 179.73 1x9f h LEU 31 N 0.88 -0.93 -1.29 1.64 5.85 -1.05 -2.34 115.31 118.08 1x9f h LEU 31 Ca 0.30 0.05 -0.07 0.00 0.84 0.00 0.00 57.88 59.01 1x9f h LEU 31 Cb 0.06 0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 1x9f h LEU 31 CO -0.13 -0.57 -0.29 -0.50 -0.34 0.00 0.00 178.44 176.61 1x9f h TRP 32 N -0.91 0.12 -0.39 1.25 4.06 -0.90 -2.00 115.95 117.17 1x9f h TRP 32 Ca -0.07 -0.02 -0.05 0.00 2.06 0.00 0.00 58.89 60.81 1x9f h TRP 32 Cb 0.74 -0.03 -0.02 0.00 -1.00 0.00 0.00 29.16 28.86 1x9f h TRP 32 CO -0.10 0.39 0.05 -0.09 -3.56 0.00 0.00 178.44 175.13 1x9f h ARG 33 N 0.10 0.66 0.04 0.49 2.43 -0.86 -0.00 114.38 117.23 1x9f h ARG 33 Ca 0.01 -0.18 0.01 0.00 -0.81 0.00 0.00 59.98 59.02 1x9f h ARG 33 Cb 0.56 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.02 1x9f h ARG 33 CO 0.04 0.72 -0.12 -0.44 -1.51 0.00 0.00 179.97 178.65 1x9f h ASP 34 N 0.50 -0.34 0.45 -3.80 5.19 -1.11 0.41 116.42 117.72 1x9f h ASP 34 Ca 0.12 0.05 -0.01 0.00 -0.62 0.00 0.00 57.03 56.56 1x9f h ASP 34 Cb 0.38 0.14 -0.02 0.00 0.18 0.00 0.00 39.33 40.01 1x9f h ASP 34 CO 0.01 -0.18 -0.40 0.40 -3.12 0.00 0.00 179.24 175.95 1x9f h ILE 35 N -0.23 0.19 0.00 0.35 2.04 -1.25 -1.64 117.51 116.97 1x9f h ILE 35 Ca 0.03 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.85 1x9f h ILE 35 Cb 0.26 0.19 -0.01 0.00 -0.74 0.00 0.00 36.82 36.53 1x9f h ILE 35 CO -0.09 0.00 -0.20 0.40 0.00 0.00 0.00 178.15 178.26 1x9f h ILE 36 N -0.85 0.73 -0.33 -0.67 2.04 -0.98 0.26 117.51 117.70 1x9f h ILE 36 Ca -0.04 -0.83 -0.04 0.00 1.00 0.00 0.00 64.86 64.95 1x9f h ILE 36 Cb 0.74 1.51 -0.01 0.00 -0.74 0.00 0.00 36.82 38.32 1x9f h ILE 36 CO -0.04 0.20 0.06 -0.78 0.00 0.00 0.00 178.15 177.59 1x9f h ASP 37 N 0.00 0.53 0.54 1.72 1.82 -0.68 -2.40 116.42 117.94 1x9f h ASP 37 Ca -0.00 -0.26 -0.21 0.00 -0.39 0.00 0.00 57.03 56.17 1x9f h ASP 37 Cb 0.50 -0.14 -0.01 0.00 0.68 0.00 0.00 39.33 40.36 1x9f h ASP 37 CO 0.03 0.65 -0.94 -0.78 -1.61 0.00 0.00 179.24 176.58 1x9f h ASP 38 N 0.38 0.34 -2.63 2.28 -0.00 -0.43 -3.40 116.42 112.96 1x9f h ASP 38 Ca 0.10 -0.29 -0.59 0.00 -0.00 0.00 0.00 57.03 56.25 1x9f h ASP 38 Cb 0.35 -0.11 -0.39 0.00 -0.00 0.00 0.00 39.33 39.18 1x9f h ASP 38 CO 0.01 1.11 -0.87 -1.00 -0.00 0.00 0.00 179.24 178.49 1x9f s HIS 39 N -3.13 1.08 -0.30 0.28 3.76 0.83 -4.99 115.29 112.81 1x9f s HIS 39 Ca -0.04 -2.01 0.21 0.00 -0.15 0.00 0.00 55.06 53.07 1x9f s HIS 39 Cb 0.09 -1.08 1.07 0.00 1.11 0.00 0.00 32.58 33.77 1x9f s HIS 39 CO 0.84 -0.81 1.63 -0.35 -0.85 0.00 0.00 174.74 175.20 1x9f n PRO 40 N 3.51 0.14 0.13 8.40 -0.04 -0.91 -1.91 135.00 144.32 1x9f n PRO 40 Ca 0.18 0.59 0.04 0.00 -0.04 0.00 0.00 63.50 64.27 1x9f n PRO 40 Cb 0.40 -1.92 0.46 0.00 -0.04 0.00 0.00 33.50 32.41 1x9f n PRO 40 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1x9f h GLU 41 N 0.00 0.24 0.00 0.54 3.07 -1.94 -2.77 114.58 113.71 1x9f h GLU 41 Ca 0.00 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.83 1x9f h GLU 41 Cb 0.07 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 27.93 1x9f h GLU 41 CO 0.00 0.27 0.00 -0.89 -1.40 0.00 0.00 179.01 176.99 1x9f n ILE 42 N -4.39 1.13 0.15 3.13 5.41 -0.80 -1.41 119.36 122.58 1x9f n ILE 42 Ca -0.00 0.72 0.00 0.00 1.00 0.00 0.00 62.75 64.46 1x9f n ILE 42 Cb 0.17 -1.72 0.27 0.00 -0.71 0.00 0.00 39.64 37.66 1x9f n ILE 42 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 176.55 176.66 1x9f h LYS 43 N 0.00 0.04 0.00 0.38 1.57 -1.71 -3.34 116.57 113.51 1x9f h LYS 43 Ca 0.00 -0.02 0.03 0.00 -1.87 0.00 0.00 60.65 58.78 1x9f h LYS 43 Cb 0.00 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.28 1x9f h LYS 43 CO 0.00 0.50 -0.18 0.00 -0.57 0.00 0.00 179.45 179.20 1x9f h ALA 44 N 1.50 -0.22 0.00 3.86 0.00 -1.45 -0.27 119.26 122.67 1x9f h ALA 44 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1x9f h ALA 44 Cb 0.84 0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1x9f h ALA 44 CO 0.06 -0.67 0.00 -0.35 0.00 0.00 0.00 179.25 178.29 1x9f n PRO 45 N -5.31 0.19 -0.65 0.00 -0.04 -1.25 -2.62 135.00 125.31 1x9f n PRO 45 Ca -0.05 0.47 -0.02 0.00 -0.04 0.00 0.00 63.50 63.86 1x9f n PRO 45 Cb 0.23 -1.89 0.21 0.00 -0.04 0.00 0.00 33.50 32.00 1x9f n PRO 45 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1x9f n PHE 46 N -2.25 1.55 -0.34 0.54 0.99 -0.12 -4.52 117.46 113.30 1x9f n PHE 46 Ca 0.01 -0.77 -0.03 0.00 -0.00 0.00 0.00 57.45 56.66 1x9f n PHE 46 Cb 0.19 -0.48 0.10 0.00 -1.00 0.00 0.00 39.48 38.29 1x9f n PHE 46 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.76 177.79 1x9f h SER 47 N 1.90 1.13 1.14 4.37 0.87 -1.47 -0.97 113.55 120.52 1x9f h SER 47 Ca 0.14 -0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.62 1x9f h SER 47 Cb 1.70 -0.29 0.00 0.00 -0.44 0.00 0.00 62.40 63.38 1x9f h SER 47 CO 0.45 0.88 0.00 -0.09 -0.53 0.00 0.00 176.83 177.54 1x9f h ARG 48 N 1.28 0.00 -0.08 2.24 1.12 -1.88 -3.29 114.38 113.78 1x9f h ARG 48 Ca 0.33 0.00 -0.02 0.00 -1.11 0.00 0.00 59.98 59.17 1x9f h ARG 48 Cb -0.02 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 29.92 1x9f h ARG 48 CO -0.06 0.00 -0.16 1.33 -3.11 0.00 0.00 179.97 177.97 1x9f n VAL 49 N -2.40 2.13 -3.43 0.20 0.24 -0.81 -5.00 118.33 109.26 1x9f n VAL 49 Ca 0.03 -2.58 -0.20 0.00 -2.04 0.00 0.00 64.34 59.55 1x9f n VAL 49 Cb 0.34 -0.25 0.05 0.00 -1.47 0.00 0.00 33.84 32.50 1x9f n VAL 49 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1x9f n ARG 50 N -1.18 -1.66 0.15 7.34 1.74 -1.12 -2.34 116.66 119.60 1x9f n ARG 50 Ca 0.20 0.78 0.13 0.00 -0.77 0.00 0.00 57.85 58.18 1x9f n ARG 50 Cb 0.74 -4.95 0.50 0.00 -1.02 0.00 0.00 32.46 27.74 1x9f n ARG 50 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 1x9f h GLY 51 N -1.18 0.00 2.00 -0.13 0.00 -1.46 -2.57 103.07 99.73 1x9f h GLY 51 Ca -0.55 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.78 1x9f h GLY 51 CO 0.43 0.00 0.00 1.29 0.00 0.00 0.00 176.54 178.26 1x9f h ASP 52 N 0.00 0.00 -2.57 0.19 2.03 -1.86 -3.39 116.42 110.81 1x9f h ASP 52 Ca 0.00 0.00 -0.58 0.00 -0.73 0.00 0.00 57.03 55.72 1x9f h ASP 52 Cb 0.45 0.00 -0.39 0.00 -0.83 0.00 0.00 39.33 38.56 1x9f h ASP 52 CO 0.00 0.00 -0.86 0.21 -1.03 0.00 0.00 179.24 177.56 1x9f s ASN 53 N -4.67 2.86 0.00 4.15 3.84 -0.97 -4.99 114.94 115.17 1x9f s ASN 53 Ca 0.10 -2.24 0.20 0.00 0.21 0.00 0.00 52.86 51.13 1x9f s ASN 53 Cb 0.12 -0.40 0.88 0.00 -0.55 0.00 0.00 41.25 41.30 1x9f s ASN 53 CO 0.60 -0.30 1.64 2.30 -2.79 0.00 0.00 177.10 178.55 1x9f n ILE 54 N 3.97 0.59 1.45 -5.21 -5.35 -1.25 -1.81 119.36 111.74 1x9f n ILE 54 Ca 0.13 0.15 0.14 0.00 -0.27 0.00 0.00 62.75 62.90 1x9f n ILE 54 Cb 0.38 -0.80 0.49 0.00 -1.74 0.00 0.00 39.64 37.97 1x9f n ILE 54 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 1x9f n TYR 55 N -1.47 0.02 -1.85 4.28 4.02 -1.26 -4.36 117.16 116.53 1x9f n TYR 55 Ca 0.05 -0.01 -0.31 0.00 -0.01 0.00 0.00 57.90 57.62 1x9f n TYR 55 Cb 0.22 0.00 0.02 0.00 -0.02 0.00 0.00 39.34 39.56 1x9f n TYR 55 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 1x9f s SER 56 N -1.97 6.01 0.35 7.72 1.04 -0.75 -4.93 113.70 121.17 1x9f s SER 56 Ca 0.37 1.52 0.10 0.00 0.48 0.00 0.00 55.95 58.42 1x9f s SER 56 Cb 0.21 -2.49 0.65 0.00 0.10 0.00 0.00 66.02 64.49 1x9f s SER 56 CO 0.33 -1.02 1.80 1.55 0.98 0.00 0.00 173.24 176.88 1x9f h PRO 57 N -0.25 0.11 -0.31 4.02 0.13 -1.91 -1.65 132.00 132.14 1x9f h PRO 57 Ca -0.44 -0.04 -0.01 0.00 -0.87 0.00 0.00 66.00 64.63 1x9f h PRO 57 Cb 1.20 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 1x9f h PRO 57 CO 0.60 0.44 0.14 0.93 -0.23 0.00 0.00 178.00 179.89 1x9f h GLU 58 N 0.10 0.44 -0.05 0.86 3.07 -1.92 -0.65 114.58 116.43 1x9f h GLU 58 Ca 0.01 -0.07 -0.17 0.00 -0.50 0.00 0.00 59.36 58.63 1x9f h GLU 58 Cb 0.66 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.48 1x9f h GLU 58 CO 0.05 0.42 -0.71 0.35 -1.40 0.00 0.00 179.01 177.72 1x9f h PHE 59 N 0.36 0.35 -0.89 4.33 3.57 -1.44 -2.54 116.94 120.68 1x9f h PHE 59 Ca 0.10 -0.16 0.01 0.00 3.53 0.00 0.00 57.97 61.46 1x9f h PHE 59 Cb 0.13 -0.05 -0.04 0.00 2.79 0.00 0.00 35.95 38.77 1x9f h PHE 59 CO -0.02 0.88 0.59 0.78 -2.23 0.00 0.00 178.31 178.31 1x9f h GLY 60 N 1.56 1.25 0.92 2.40 0.00 -1.08 0.27 103.07 108.38 1x9f h GLY 60 Ca -0.02 -0.47 -0.00 0.00 0.00 0.00 0.00 47.33 46.83 1x9f h GLY 60 CO 0.11 0.46 -0.02 0.00 0.00 0.00 0.00 176.54 177.09 1x9f h ALA 61 N 1.44 -0.07 -0.13 3.60 0.00 -0.99 -1.18 119.26 121.93 1x9f h ALA 61 Ca 0.32 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.21 1x9f h ALA 61 Cb -0.14 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 1x9f h ALA 61 CO -0.07 -0.50 -0.08 1.25 0.00 0.00 0.00 179.25 179.85 1x9f h HIS 62 N -0.15 -0.20 -0.55 0.00 6.17 -0.99 -0.76 115.15 118.66 1x9f h HIS 62 Ca -0.01 0.02 0.11 0.00 0.71 0.00 0.00 60.37 61.20 1x9f h HIS 62 Cb 0.13 0.11 -0.10 0.00 2.52 0.00 0.00 27.41 30.07 1x9f h HIS 62 CO -0.05 -0.13 -0.10 1.03 0.71 0.00 0.00 177.93 179.39 1x9f h SER 63 N -0.09 -0.43 -0.72 3.26 0.87 -0.39 -0.86 113.55 115.20 1x9f h SER 63 Ca 0.08 0.16 -0.04 0.00 -1.23 0.00 0.00 61.79 60.75 1x9f h SER 63 Cb 0.20 0.31 -0.03 0.00 -0.44 0.00 0.00 62.40 62.44 1x9f h SER 63 CO -0.18 -0.16 0.29 1.56 -0.53 0.00 0.00 176.83 177.81 1x9f h GLN 64 N 0.03 1.08 -0.63 2.24 1.08 -0.88 -1.73 115.11 116.31 1x9f h GLN 64 Ca 0.27 -0.19 -0.01 0.00 -1.45 0.00 0.00 58.65 57.27 1x9f h GLN 64 Cb 0.42 -0.18 -0.03 0.00 -0.05 0.00 0.00 27.48 27.64 1x9f h GLN 64 CO -0.54 0.88 0.35 0.00 -0.95 0.00 0.00 178.83 178.57 1x9f h ARG 65 N 1.06 0.86 0.04 1.46 3.08 -0.08 -0.84 114.38 119.95 1x9f h ARG 65 Ca 0.25 -0.08 -0.00 0.00 0.07 0.00 0.00 59.98 60.21 1x9f h ARG 65 Cb 0.20 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.08 1x9f h ARG 65 CO -0.02 0.62 -0.02 0.28 -1.07 0.00 0.00 179.97 179.77 1x9f h VAL 66 N 0.87 1.25 -0.77 2.04 2.07 -0.52 -1.70 116.25 119.48 1x9f h VAL 66 Ca 0.22 -0.93 -0.02 0.00 0.82 0.00 0.00 66.70 66.79 1x9f h VAL 66 Cb 0.01 1.86 -0.04 0.00 -1.52 0.00 0.00 31.29 31.61 1x9f h VAL 66 CO -0.04 0.23 0.40 -0.07 0.02 0.00 0.00 177.57 178.11 1x9f h LEU 67 N -0.46 0.97 -1.18 2.57 -0.00 -1.22 0.60 115.31 116.59 1x9f h LEU 67 Ca -0.01 -0.09 -0.05 0.00 -0.00 0.00 0.00 57.88 57.73 1x9f h LEU 67 Cb 0.42 -0.25 -0.02 0.00 -0.00 0.00 0.00 40.66 40.82 1x9f h LEU 67 CO 0.01 0.79 -0.02 -1.28 -0.00 0.00 0.00 178.44 177.94 1x9f h SER 68 N 1.08 0.51 -0.18 -0.43 0.87 -1.15 0.99 113.55 115.24 1x9f h SER 68 Ca 0.27 -0.10 -0.03 0.00 -1.23 0.00 0.00 61.79 60.70 1x9f h SER 68 Cb 0.06 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 61.88 1x9f h SER 68 CO -0.04 0.60 0.00 1.23 -0.53 0.00 0.00 176.83 178.09 1x9f h GLY 69 N 0.86 0.33 0.87 5.77 0.00 -0.28 -2.07 103.07 108.56 1x9f h GLY 69 Ca 0.11 -0.24 0.04 0.00 0.00 0.00 0.00 47.33 47.24 1x9f h GLY 69 CO 0.01 0.22 0.65 -2.00 0.00 0.00 0.00 176.54 175.43 1x9f h LEU 70 N 0.06 1.09 -0.72 3.11 6.46 -0.61 -1.91 115.31 122.78 1x9f h LEU 70 Ca 0.05 -0.01 0.05 0.00 -0.12 0.00 0.00 57.88 57.85 1x9f h LEU 70 Cb 0.37 -0.25 -0.05 0.00 -0.73 0.00 0.00 40.66 40.01 1x9f h LEU 70 CO 0.01 0.74 0.43 -0.78 -0.62 0.00 0.00 178.44 178.22 1x9f h ASP 71 N 1.26 0.68 -0.34 1.25 1.82 -0.54 -0.21 116.42 120.34 1x9f h ASP 71 Ca 0.40 0.01 0.00 0.00 -0.39 0.00 0.00 57.03 57.06 1x9f h ASP 71 Cb 0.02 -0.13 -0.02 0.00 0.68 0.00 0.00 39.33 39.89 1x9f h ASP 71 CO -0.13 0.45 0.22 0.40 -1.61 0.00 0.00 179.24 178.57 1x9f h ILE 72 N 0.82 1.10 -0.27 2.25 2.04 -0.65 -1.41 117.51 121.39 1x9f h ILE 72 Ca 0.31 -0.20 -0.09 0.00 1.00 0.00 0.00 64.86 65.88 1x9f h ILE 72 Cb 0.11 0.63 -0.01 0.00 -0.74 0.00 0.00 36.82 36.81 1x9f h ILE 72 CO -0.15 0.10 -0.19 0.71 0.00 0.00 0.00 178.15 178.62 1x9f h THR 73 N 0.45 1.31 -0.93 -0.27 1.35 -1.04 -2.02 112.91 111.75 1x9f h THR 73 Ca 0.12 -1.32 0.05 0.00 -0.55 0.00 0.00 66.41 64.72 1x9f h THR 73 Cb -0.03 1.58 -0.06 0.00 -1.73 0.00 0.00 68.15 67.91 1x9f h THR 73 CO -0.03 0.41 0.60 0.40 -0.25 0.00 0.00 175.52 176.65 1x9f h ILE 74 N 0.32 1.10 0.00 6.82 2.04 -1.00 -1.62 117.51 125.18 1x9f h ILE 74 Ca 0.05 -0.38 0.00 0.00 1.00 0.00 0.00 64.86 65.53 1x9f h ILE 74 Cb 0.73 -0.11 0.00 0.00 -0.74 0.00 0.00 36.82 36.70 1x9f h ILE 74 CO 0.05 0.20 0.00 -1.54 0.00 0.00 0.00 178.15 176.86 1x9f n SER 75 N -4.54 0.00 -0.89 1.72 3.41 -0.54 -2.51 113.62 110.28 1x9f n SER 75 Ca 0.13 0.23 0.10 0.00 -0.26 0.00 0.00 58.87 59.07 1x9f n SER 75 Cb 0.15 -0.40 0.14 0.00 -0.26 0.00 0.00 64.21 63.84 1x9f n SER 75 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 1x9f n MET 76 N -1.40 2.05 -0.00 4.33 2.81 -0.64 -4.62 117.12 119.64 1x9f n MET 76 Ca 0.09 -1.92 0.23 0.00 -1.81 0.00 0.00 57.70 54.29 1x9f n MET 76 Cb 0.24 -1.40 0.72 0.00 -0.71 0.00 0.00 33.22 32.07 1x9f n MET 76 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 1x9f h LEU 77 N 3.71 0.00 -2.08 4.03 4.07 -1.16 -0.97 115.31 122.91 1x9f h LEU 77 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1x9f h LEU 77 Cb 0.84 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.58 1x9f h LEU 77 CO 0.00 0.00 0.00 -0.90 -1.08 0.00 0.00 178.44 176.46 1x9f n ASP 78 N -3.88 3.11 -3.85 -0.43 3.85 -1.26 -4.73 116.55 109.38 1x9f n ASP 78 Ca 0.11 -1.95 -0.29 0.00 -0.71 0.00 0.00 54.79 51.95 1x9f n ASP 78 Cb 0.76 -0.11 -0.13 0.00 -1.35 0.00 0.00 41.12 40.29 1x9f n ASP 78 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.20 176.61 1x9f s THR 79 N -1.68 2.19 0.30 2.12 -4.23 -0.37 -5.00 115.64 108.98 1x9f s THR 79 Ca 0.31 -3.24 0.01 0.00 -1.18 0.00 0.00 61.69 57.60 1x9f s THR 79 Cb 0.20 -2.51 0.28 0.00 1.34 0.00 0.00 72.50 71.82 1x9f s THR 79 CO 0.29 -0.88 1.89 1.55 -0.54 0.00 0.00 174.62 176.93 1x9f h PRO 80 N 6.33 0.97 -0.01 3.99 0.13 -1.85 -0.01 132.00 141.55 1x9f h PRO 80 Ca -0.00 -0.06 0.03 0.00 -0.87 0.00 0.00 66.00 65.10 1x9f h PRO 80 Cb 0.88 -0.22 -0.04 0.00 0.13 0.00 0.00 31.00 31.75 1x9f h PRO 80 CO 0.62 0.64 -0.20 0.38 -0.23 0.00 0.00 178.00 179.21 1x9f h ASP 81 N 1.00 -0.60 -0.55 1.44 2.03 -1.94 0.69 116.42 118.49 1x9f h ASP 81 Ca 0.41 0.09 -0.11 0.00 -0.73 0.00 0.00 57.03 56.70 1x9f h ASP 81 Cb 0.30 0.25 -0.02 0.00 -0.83 0.00 0.00 39.33 39.03 1x9f h ASP 81 CO -0.17 -0.27 -0.07 0.24 -1.03 0.00 0.00 179.24 177.94 1x9f h MET 82 N -0.32 1.03 -0.38 4.15 2.86 -1.81 -2.76 114.93 117.70 1x9f h MET 82 Ca 0.06 -0.35 -0.01 0.00 -2.06 0.00 0.00 59.70 57.33 1x9f h MET 82 Cb 0.40 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.97 1x9f h MET 82 CO -0.20 1.04 0.18 1.25 1.06 0.00 0.00 176.91 180.24 1x9f h LEU 83 N 0.92 0.49 -0.26 1.22 5.85 -0.68 -0.51 115.31 122.35 1x9f h LEU 83 Ca 0.15 -0.13 0.04 0.00 0.84 0.00 0.00 57.88 58.79 1x9f h LEU 83 Cb 0.62 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.49 1x9f h LEU 83 CO 0.04 0.48 0.01 0.00 -0.34 0.00 0.00 178.44 178.63 1x9f h ALA 84 N 1.03 0.23 -0.43 1.25 0.00 -0.81 0.12 119.26 120.65 1x9f h ALA 84 Ca 0.13 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 1x9f h ALA 84 Cb 0.12 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1x9f h ALA 84 CO -0.02 -0.41 0.25 0.00 0.00 0.00 0.00 179.25 179.08 1x9f h ALA 85 N 1.21 0.55 -0.52 0.00 0.00 -1.29 -1.57 119.26 117.64 1x9f h ALA 85 Ca 0.12 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 1x9f h ALA 85 Cb 0.15 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1x9f h ALA 85 CO -0.20 0.05 0.06 0.37 0.00 0.00 0.00 179.25 179.53 1x9f h GLN 86 N 0.57 0.88 -0.65 0.00 5.75 -0.79 -1.39 115.11 119.48 1x9f h GLN 86 Ca 0.15 -0.25 -0.08 0.00 -0.15 0.00 0.00 58.65 58.33 1x9f h GLN 86 Cb 0.01 -0.10 -0.03 0.00 1.07 0.00 0.00 27.48 28.44 1x9f h GLN 86 CO -0.03 0.88 0.10 -0.07 -2.65 0.00 0.00 178.83 177.06 1x9f h LEU 87 N 0.76 1.03 -0.73 -2.39 3.38 -0.86 -0.32 115.31 116.17 1x9f h LEU 87 Ca 0.15 -0.26 0.04 0.00 0.09 0.00 0.00 57.88 57.90 1x9f h LEU 87 Cb 0.44 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.87 1x9f h LEU 87 CO 0.02 1.03 0.45 0.00 0.09 0.00 0.00 178.44 180.03 1x9f h ALA 88 N 1.04 0.97 -0.43 1.53 0.00 -1.10 -0.38 119.26 120.89 1x9f h ALA 88 Ca 0.20 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 1x9f h ALA 88 Cb 0.44 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1x9f h ALA 88 CO 0.01 0.21 0.17 1.25 0.00 0.00 0.00 179.25 180.89 1x9f h HIS 89 N 0.87 0.66 -0.30 0.00 -0.00 -0.70 -1.36 115.15 114.31 1x9f h HIS 89 Ca 0.31 -0.05 -0.09 0.00 -0.00 0.00 0.00 60.37 60.53 1x9f h HIS 89 Cb 0.07 -0.20 -0.01 0.00 -0.00 0.00 0.00 27.41 27.27 1x9f h HIS 89 CO -0.04 0.57 -0.21 -0.07 -0.00 0.00 0.00 177.93 178.18 1x9f h LEU 90 N 0.55 0.56 -0.14 0.26 3.38 -0.84 -2.82 115.31 116.27 1x9f h LEU 90 Ca 0.14 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 1x9f h LEU 90 Cb 0.20 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1x9f h LEU 90 CO -0.01 0.77 0.06 0.50 0.09 0.00 0.00 178.44 179.85 1x9f h LYS 91 N 0.50 0.21 -0.82 1.13 3.64 -0.63 -2.25 116.57 118.35 1x9f h LYS 91 Ca 0.08 -0.04 0.19 0.00 -1.27 0.00 0.00 60.65 59.61 1x9f h LYS 91 Cb 0.64 -0.04 -0.12 0.00 -0.41 0.00 0.00 32.23 32.31 1x9f h LYS 91 CO 0.05 0.29 0.28 0.28 -2.27 0.00 0.00 179.45 178.07 1x9f h VAL 92 N 0.09 0.48 0.00 2.00 2.07 -1.13 0.27 116.25 120.03 1x9f h VAL 92 Ca 0.05 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.46 1x9f h VAL 92 Cb 0.16 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.05 1x9f h VAL 92 CO -0.00 0.06 0.00 0.00 0.02 0.00 0.00 177.57 177.64 1x9f n GLN 93 N -5.11 0.01 -0.00 1.57 6.02 -0.89 -3.00 117.38 115.98 1x9f n GLN 93 Ca 0.18 0.23 0.02 0.00 -0.01 0.00 0.00 57.00 57.43 1x9f n GLN 93 Cb 0.56 -1.52 -0.04 0.00 1.02 0.00 0.00 30.24 30.26 1x9f n GLN 93 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 1x9f n HIS 94 N -1.54 0.00 0.14 1.08 8.25 0.52 -4.85 115.22 118.82 1x9f n HIS 94 Ca 0.04 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.52 1x9f n HIS 94 Cb 0.19 -0.10 0.40 0.00 1.12 0.00 0.00 29.99 31.60 1x9f n HIS 94 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 1x9f h VAL 95 N 0.00 1.18 -0.48 1.59 3.04 -0.52 -2.96 116.25 118.10 1x9f h VAL 95 Ca 0.00 -0.82 0.00 0.00 -1.01 0.00 0.00 66.70 64.87 1x9f h VAL 95 Cb 0.22 1.28 0.00 0.00 -2.01 0.00 0.00 31.29 30.78 1x9f h VAL 95 CO 0.00 0.25 0.00 -0.62 -1.01 0.00 0.00 177.57 176.19 1x9f n GLU 96 N -4.26 2.37 -4.33 4.17 -0.58 -1.26 -4.85 120.64 111.91 1x9f n GLU 96 Ca -0.01 -1.83 -0.31 0.00 -0.42 0.00 0.00 57.16 54.59 1x9f n GLU 96 Cb 0.28 -1.48 -0.10 0.00 -0.57 0.00 0.00 31.44 29.57 1x9f n GLU 96 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 1x9f s ARG 97 N -1.47 2.45 -1.08 3.49 0.52 -1.12 -4.99 118.95 116.75 1x9f s ARG 97 Ca 0.34 -0.82 -0.12 0.00 -0.52 0.00 0.00 55.73 54.61 1x9f s ARG 97 Cb 0.19 -2.46 -0.07 0.00 0.52 0.00 0.00 34.95 33.12 1x9f s ARG 97 CO 0.21 0.57 2.23 0.09 0.02 0.00 0.00 175.30 178.41 1x9f n ASN 98 N 1.12 4.88 -4.63 0.23 3.02 -1.26 -4.86 115.26 113.76 1x9f n ASN 98 Ca -0.14 -2.52 -0.39 0.00 -0.03 0.00 0.00 54.58 51.50 1x9f n ASN 98 Cb 0.52 -1.26 -0.08 0.00 -0.61 0.00 0.00 39.78 38.36 1x9f n ASN 98 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1x9f s LEU 99 N 0.65 4.09 0.23 3.41 1.43 -1.26 -4.99 118.68 122.23 1x9f s LEU 99 Ca 0.50 0.49 -0.30 0.00 -1.03 0.00 0.00 54.13 53.80 1x9f s LEU 99 Cb 0.13 -2.58 -0.09 0.00 0.03 0.00 0.00 46.19 43.68 1x9f s LEU 99 CO -0.01 -0.19 1.23 -0.54 0.23 0.00 0.00 176.35 177.07 1x9f s LYS 100 N 1.90 4.46 0.59 1.70 3.01 -1.26 -4.91 119.74 125.24 1x9f s LYS 100 Ca 0.20 1.97 0.29 0.00 -1.01 0.00 0.00 55.97 57.41 1x9f s LYS 100 Cb -0.15 -3.19 1.56 0.00 -1.01 0.00 0.00 37.83 35.04 1x9f s LYS 100 CO 0.09 -0.10 1.99 -1.00 0.51 0.00 0.00 175.35 176.84 1x9f h PRO 101 N 4.76 0.00 0.00 -1.68 0.13 -1.97 0.01 132.00 133.25 1x9f h PRO 101 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1x9f h PRO 101 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1x9f h PRO 101 CO 0.73 0.00 0.00 1.05 -0.23 0.00 0.00 178.00 179.55 1x9f h GLU 102 N 0.00 0.00 -0.63 0.86 9.09 -2.00 -2.99 114.58 118.91 1x9f h GLU 102 Ca 0.15 0.00 0.11 0.00 0.05 0.00 0.00 59.36 59.67 1x9f h GLU 102 Cb 0.84 0.00 -0.08 0.00 -1.65 0.00 0.00 28.75 27.86 1x9f h GLU 102 CO -0.00 0.00 0.20 0.74 0.05 0.00 0.00 179.01 179.99 1x9f h PHE 103 N 0.00 0.33 -0.39 2.06 0.05 -1.36 0.90 116.94 118.53 1x9f h PHE 103 Ca 0.00 0.03 -0.08 0.00 3.82 0.00 0.00 57.97 61.75 1x9f h PHE 103 Cb 0.65 -0.05 -0.02 0.00 2.00 0.00 0.00 35.95 38.53 1x9f h PHE 103 CO 0.00 0.03 -0.07 0.74 -0.18 0.00 0.00 178.31 178.83 1x9f h PHE 104 N 0.34 0.71 -0.59 -0.55 -1.00 -1.69 0.11 116.94 114.28 1x9f h PHE 104 Ca 0.33 -0.11 -0.02 0.00 2.81 0.00 0.00 57.97 60.98 1x9f h PHE 104 Cb 0.47 -0.19 -0.03 0.00 3.61 0.00 0.00 35.95 39.81 1x9f h PHE 104 CO -0.21 0.72 0.29 -0.44 -1.61 0.00 0.00 178.31 177.06 1x9f h ASP 105 N 0.61 0.77 -0.72 2.17 3.45 -1.34 0.05 116.42 121.40 1x9f h ASP 105 Ca 0.11 -0.13 -0.06 0.00 0.43 0.00 0.00 57.03 57.39 1x9f h ASP 105 Cb 0.49 -0.20 -0.03 0.00 -0.56 0.00 0.00 39.33 39.04 1x9f h ASP 105 CO 0.03 0.68 0.21 0.40 -1.57 0.00 0.00 179.24 178.98 1x9f h ILE 106 N 0.80 1.26 0.07 0.35 2.04 -0.36 -1.01 117.51 120.67 1x9f h ILE 106 Ca 0.20 -0.93 0.02 0.00 1.00 0.00 0.00 64.86 65.15 1x9f h ILE 106 Cb 0.11 0.48 -0.03 0.00 -0.74 0.00 0.00 36.82 36.64 1x9f h ILE 106 CO -0.03 0.36 -0.19 0.15 0.00 0.00 0.00 178.15 178.44 1x9f h PHE 107 N 1.08 -0.50 -0.69 1.37 3.57 -0.28 -1.68 116.94 119.81 1x9f h PHE 107 Ca 0.23 0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.80 1x9f h PHE 107 Cb 0.33 0.21 -0.05 0.00 2.79 0.00 0.00 35.95 39.23 1x9f h PHE 107 CO 0.03 -0.28 0.40 1.25 -2.23 0.00 0.00 178.31 177.48 1x9f h LEU 108 N -0.35 0.61 -0.64 0.59 5.85 -0.81 0.29 115.31 120.86 1x9f h LEU 108 Ca 0.04 0.02 0.08 0.00 0.84 0.00 0.00 57.88 58.86 1x9f h LEU 108 Cb 0.38 -0.10 -0.07 0.00 0.37 0.00 0.00 40.66 41.25 1x9f h LEU 108 CO -0.13 0.40 0.29 0.50 -0.34 0.00 0.00 178.44 179.16 1x9f h LYS 109 N 0.75 0.50 0.11 1.25 3.64 -0.76 -0.77 116.57 121.28 1x9f h LYS 109 Ca 0.30 -0.03 -0.28 0.00 -1.27 0.00 0.00 60.65 59.37 1x9f h LYS 109 Cb 0.15 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 1x9f h LYS 109 CO -0.17 0.33 -1.33 0.45 -2.27 0.00 0.00 179.45 176.46 1x9f h HIS 110 N 0.51 0.41 -0.30 1.91 3.86 -0.71 -2.66 115.15 118.17 1x9f h HIS 110 Ca 0.31 -0.30 0.06 0.00 -1.16 0.00 0.00 60.37 59.28 1x9f h HIS 110 Cb 0.33 -0.02 -0.05 0.00 1.06 0.00 0.00 27.41 28.73 1x9f h HIS 110 CO -0.13 1.27 -0.03 1.25 0.86 0.00 0.00 177.93 181.16 1x9f h LEU 111 N 0.06 -0.18 -1.10 2.43 5.85 -0.21 -0.31 115.31 121.86 1x9f h LEU 111 Ca -0.16 0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.60 1x9f h LEU 111 Cb 1.97 0.15 -0.03 0.00 0.37 0.00 0.00 40.66 43.11 1x9f h LEU 111 CO 0.18 -0.05 0.26 -0.07 -0.34 0.00 0.00 178.44 178.41 1x9f h LEU 112 N 0.06 0.81 -0.11 2.25 3.38 -1.16 0.73 115.31 121.26 1x9f h LEU 112 Ca 0.15 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 1x9f h LEU 112 Cb 0.21 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 1x9f h LEU 112 CO -0.27 0.72 -0.04 -0.74 0.09 0.00 0.00 178.44 178.20 1x9f h HIS 113 N 0.88 0.26 -0.52 1.13 2.76 -1.13 0.09 115.15 118.61 1x9f h HIS 113 Ca 0.21 -0.06 -0.09 0.00 -2.20 0.00 0.00 60.37 58.23 1x9f h HIS 113 Cb 0.16 -0.06 -0.02 0.00 1.55 0.00 0.00 27.41 29.03 1x9f h HIS 113 CO 0.01 0.55 -0.04 -0.39 -1.30 0.00 0.00 177.93 176.76 1x9f h VAL 114 N -0.11 1.26 -0.66 5.26 -1.51 -0.90 -2.53 116.25 117.05 1x9f h VAL 114 Ca 0.03 -1.14 -0.01 0.00 -1.23 0.00 0.00 66.70 64.35 1x9f h VAL 114 Cb 0.48 0.90 -0.03 0.00 -2.13 0.00 0.00 31.29 30.50 1x9f h VAL 114 CO 0.01 0.40 0.36 -0.07 -1.23 0.00 0.00 177.57 177.04 1x9f h LEU 115 N 0.84 0.83 -0.74 4.19 3.38 -0.79 -2.43 115.31 120.60 1x9f h LEU 115 Ca 0.15 -0.10 0.13 0.00 0.09 0.00 0.00 57.88 58.14 1x9f h LEU 115 Cb 0.55 -0.21 -0.09 0.00 0.09 0.00 0.00 40.66 41.00 1x9f h LEU 115 CO 0.03 0.69 0.32 1.23 0.09 0.00 0.00 178.44 180.80 1x9f h GLY 116 N 0.90 1.12 0.97 0.83 0.00 -0.73 0.11 103.07 106.27 1x9f h GLY 116 Ca 0.23 -0.17 -0.02 0.00 0.00 0.00 0.00 47.33 47.37 1x9f h GLY 116 CO -0.04 -0.05 0.22 -0.55 0.00 0.00 0.00 176.54 176.12 1x9f h ASP 117 N 0.49 0.63 -0.22 0.19 3.32 -1.05 0.30 116.42 120.08 1x9f h ASP 117 Ca 0.39 -0.14 -0.07 0.00 0.02 0.00 0.00 57.03 57.23 1x9f h ASP 117 Cb 0.54 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.93 1x9f h ASP 117 CO -0.36 0.60 -0.14 0.03 -1.72 0.00 0.00 179.24 177.65 1x9f h ARG 118 N 0.62 0.49 0.00 3.56 2.47 -0.92 -3.32 114.38 117.28 1x9f h ARG 118 Ca 0.16 -0.23 -0.16 0.00 -1.26 0.00 0.00 59.98 58.49 1x9f h ARG 118 Cb 0.14 -0.01 -0.03 0.00 -1.65 0.00 0.00 29.97 28.43 1x9f h ARG 118 CO -0.02 0.78 -1.45 1.28 0.56 0.00 0.00 179.97 181.13 1x9f n LEU 119 N -4.48 0.80 0.00 3.04 4.77 0.31 -5.00 117.00 116.44 1x9f n LEU 119 Ca -0.05 0.35 0.00 0.00 -0.03 0.00 0.00 56.01 56.28 1x9f n LEU 119 Cb 0.36 0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 1x9f n LEU 119 CO 0.40 0.13 0.00 0.61 -1.33 0.00 0.00 177.39 177.21 1x9f n GLY 120 N 1.39 -0.37 0.12 -0.72 0.00 0.11 -3.83 105.19 101.89 1x9f n GLY 120 Ca -0.10 -1.11 0.11 0.00 0.00 0.00 0.00 46.02 44.92 1x9f n GLY 120 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1x9f n THR 121 N 0.00 0.94 1.25 2.61 -2.24 -1.26 -2.04 114.28 113.55 1x9f n THR 121 Ca 0.00 0.38 0.14 0.00 -2.27 0.00 0.00 64.05 62.30 1x9f n THR 121 Cb 0.00 -1.31 0.68 0.00 -2.10 0.00 0.00 70.33 67.59 1x9f n THR 121 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1x9f n HIS 122 N -2.16 0.00 -1.91 4.78 -0.00 -1.25 -4.87 115.22 109.81 1x9f n HIS 122 Ca 0.01 0.00 -0.42 0.00 -0.00 0.00 0.00 57.72 57.31 1x9f n HIS 122 Cb 0.16 -0.36 -0.03 0.00 -0.00 0.00 0.00 29.99 29.77 1x9f n HIS 122 CO 0.00 0.00 0.00 0.12 -0.00 0.00 0.00 176.34 176.46 1x9f s PHE 123 N -2.74 1.74 -1.37 4.41 5.36 -0.87 -4.88 117.98 119.64 1x9f s PHE 123 Ca 0.23 0.20 -0.16 0.00 -0.96 0.00 0.00 56.93 56.24 1x9f s PHE 123 Cb 0.20 -4.02 0.05 0.00 -0.34 0.00 0.00 43.02 38.91 1x9f s PHE 123 CO 0.50 -3.98 2.00 -3.47 -1.46 0.00 0.00 175.22 168.81 1x9f n ASP 124 N 8.30 4.30 -0.20 6.13 4.64 -1.26 -4.79 116.55 133.66 1x9f n ASP 124 Ca 0.20 -2.87 0.01 0.00 -1.38 0.00 0.00 54.79 50.75 1x9f n ASP 124 Cb 0.43 -1.69 0.09 0.00 -1.04 0.00 0.00 41.12 38.92 1x9f n ASP 124 CO 0.00 0.00 0.00 0.15 -0.82 0.00 0.00 177.20 176.53 1x9f h PHE 125 N 6.79 -0.11 0.02 -0.67 3.04 -1.97 0.11 116.94 124.15 1x9f h PHE 125 Ca 0.51 0.05 0.03 0.00 3.98 0.00 0.00 57.97 62.53 1x9f h PHE 125 Cb 0.75 0.14 -0.04 0.00 2.56 0.00 0.00 35.95 39.36 1x9f h PHE 125 CO 1.44 -0.19 -0.26 0.78 -2.02 0.00 0.00 178.31 178.06 1x9f h GLY 126 N 0.09 -0.41 0.95 2.40 0.00 -1.99 0.23 103.07 104.34 1x9f h GLY 126 Ca 0.32 0.31 -0.00 0.00 0.00 0.00 0.00 47.33 47.95 1x9f h GLY 126 CO -0.55 -0.21 0.02 0.00 0.00 0.00 0.00 176.54 175.80 1x9f h ALA 127 N 0.39 0.05 0.05 3.60 0.00 -1.75 -1.55 119.26 120.05 1x9f h ALA 127 Ca 0.06 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.96 1x9f h ALA 127 Cb 0.48 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 1x9f h ALA 127 CO -0.21 -0.43 -0.19 -1.49 0.00 0.00 0.00 179.25 176.93 1x9f h TRP 128 N 0.00 -0.51 -0.32 0.00 4.06 -0.65 -0.17 115.95 118.37 1x9f h TRP 128 Ca 0.01 0.01 0.04 0.00 2.06 0.00 0.00 58.89 61.02 1x9f h TRP 128 Cb 0.05 0.22 -0.04 0.00 -1.00 0.00 0.00 29.16 28.39 1x9f h TRP 128 CO -0.06 -0.28 0.08 1.25 -3.56 0.00 0.00 178.44 175.87 1x9f h HIS 129 N -0.34 0.13 0.49 0.49 2.76 -0.39 0.19 115.15 118.48 1x9f h HIS 129 Ca 0.04 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.22 1x9f h HIS 129 Cb 0.39 -0.01 -0.02 0.00 1.55 0.00 0.00 27.41 29.32 1x9f h HIS 129 CO -0.22 0.04 -0.39 -0.44 -1.30 0.00 0.00 177.93 175.62 1x9f h ASP 130 N 0.20 -1.03 0.23 3.26 3.45 -1.16 -2.76 116.42 118.60 1x9f h ASP 130 Ca 0.15 0.08 -0.01 0.00 0.43 0.00 0.00 57.03 57.68 1x9f h ASP 130 Cb 0.15 0.33 0.00 0.00 -0.56 0.00 0.00 39.33 39.25 1x9f h ASP 130 CO -0.19 -0.57 -0.11 0.00 -1.57 0.00 0.00 179.24 176.81 1x9f h VAL 132 N -0.36 1.45 -0.45 0.00 2.07 -0.79 -3.16 116.25 115.00 1x9f h VAL 132 Ca -0.03 -2.19 0.09 0.00 0.82 0.00 0.00 66.70 65.39 1x9f h VAL 132 Cb 0.28 2.17 -0.09 0.00 -1.52 0.00 0.00 31.29 32.13 1x9f h VAL 132 CO 0.05 0.63 -0.12 -0.78 0.02 0.00 0.00 177.57 177.37 1x9f h ASP 133 N 0.05 -0.45 -0.87 0.57 -0.00 -1.37 0.49 116.42 114.84 1x9f h ASP 133 Ca -0.01 0.14 0.09 0.00 -0.00 0.00 0.00 57.03 57.25 1x9f h ASP 133 Cb 1.16 0.29 -0.07 0.00 -0.00 0.00 0.00 39.33 40.71 1x9f h ASP 133 CO 0.09 -0.16 0.52 -0.61 -0.00 0.00 0.00 179.24 179.08 1x9f h GLN 134 N -0.01 0.85 0.14 0.28 4.15 -1.50 0.11 115.11 119.12 1x9f h GLN 134 Ca 0.22 -0.05 -0.01 0.00 0.77 0.00 0.00 58.65 59.58 1x9f h GLN 134 Cb 0.35 -0.19 0.00 0.00 0.21 0.00 0.00 27.48 27.85 1x9f h GLN 134 CO -0.47 0.56 -0.07 0.82 -1.93 0.00 0.00 178.83 177.74 1x9f h ILE 135 N 0.88 0.96 -0.80 2.39 2.04 -0.83 -2.45 117.51 119.70 1x9f h ILE 135 Ca 0.41 -0.42 0.14 0.00 1.00 0.00 0.00 64.86 65.98 1x9f h ILE 135 Cb 0.33 1.22 -0.09 0.00 -0.74 0.00 0.00 36.82 37.54 1x9f h ILE 135 CO -0.23 0.10 0.38 0.40 0.00 0.00 0.00 178.15 178.80 1x9f h ILE 136 N -0.39 0.73 -0.19 -0.67 5.03 0.26 -2.03 117.51 120.25 1x9f h ILE 136 Ca -0.02 -0.19 -0.04 0.00 -0.12 0.00 0.00 64.86 64.49 1x9f h ILE 136 Cb 0.31 0.11 -0.01 0.00 -3.03 0.00 0.00 36.82 34.20 1x9f h ILE 136 CO 0.03 0.10 -0.06 0.44 -0.68 0.00 0.00 178.15 177.98 1x9f h ASP 137 N 0.56 0.27 1.16 1.72 3.32 -0.59 0.82 116.42 123.68 1x9f h ASP 137 Ca 0.43 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.43 1x9f h ASP 137 Cb 0.59 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.07 1x9f h ASP 137 CO -0.36 0.37 0.00 1.23 -1.72 0.00 0.00 179.24 178.76 1x9f h GLY 138 N 0.67 0.00 0.00 2.75 0.00 -0.89 -3.28 103.07 102.32 1x9f h GLY 138 Ca 0.06 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 47.14 1x9f h GLY 138 CO 0.01 0.00 -1.96 1.39 0.00 0.00 0.00 176.54 175.98 1x9f n ILE 139 N -2.84 0.97 0.00 2.60 5.41 -0.89 -4.51 119.36 120.10 1x9f n ILE 139 Ca 0.02 -0.45 0.00 0.00 1.00 0.00 0.00 62.75 63.32 1x9f n ILE 139 Cb 0.34 -0.94 0.00 0.00 -0.71 0.00 0.00 39.64 38.33 1x9f n ILE 139 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72