#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x9f s LYS 2 N 0.00 0.96 0.08 1.97 2.20 -1.26 -5.13 119.74 118.55 1x9f s LYS 2 Ca 0.00 0.47 0.01 0.00 -0.36 0.00 0.00 55.97 56.10 1x9f s LYS 2 Cb 0.00 0.45 -0.04 0.00 -1.51 0.00 0.00 37.83 36.74 1x9f s LYS 2 CO 0.00 -0.24 0.18 -0.65 -0.36 0.00 0.00 175.35 174.28 1x9f s GLN 3 N -0.68 3.27 -1.24 4.03 -0.21 -1.26 -4.62 119.66 118.95 1x9f s GLN 3 Ca -0.07 -0.55 -0.19 0.00 0.02 0.00 0.00 55.36 54.57 1x9f s GLN 3 Cb -0.02 -2.93 -0.00 0.00 1.00 0.00 0.00 33.01 31.06 1x9f s GLN 3 CO 0.07 0.58 1.87 0.00 -2.12 0.00 0.00 175.29 175.69 1x9f n GLY 5 N 5.31 0.91 0.44 0.00 0.00 -1.26 -4.82 105.19 105.76 1x9f n GLY 5 Ca 0.48 -2.03 -0.12 0.00 0.00 0.00 0.00 46.02 44.35 1x9f n GLY 5 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1x9f h VAL 6 N -0.42 0.01 -0.41 1.61 2.07 -1.96 0.62 116.25 117.78 1x9f h VAL 6 Ca -0.18 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.32 1x9f h VAL 6 Cb 0.70 0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.45 1x9f h VAL 6 CO 0.20 0.00 0.20 -0.07 0.02 0.00 0.00 177.57 177.93 1x9f h LEU 7 N -0.23 0.53 -0.92 2.57 4.07 -1.95 -0.34 115.31 119.04 1x9f h LEU 7 Ca 0.12 -0.12 -0.11 0.00 0.08 0.00 0.00 57.88 57.85 1x9f h LEU 7 Cb 0.52 -0.14 -0.01 0.00 1.08 0.00 0.00 40.66 42.12 1x9f h LEU 7 CO -0.74 0.50 -0.46 1.05 -1.08 0.00 0.00 178.44 177.70 1x9f h GLU 8 N 0.52 0.17 -0.64 1.13 9.09 -1.81 -0.14 114.58 122.90 1x9f h GLU 8 Ca 0.14 -0.09 -0.08 0.00 0.05 0.00 0.00 59.36 59.38 1x9f h GLU 8 Cb 0.10 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 27.18 1x9f h GLU 8 CO -0.02 0.61 0.10 0.78 0.05 0.00 0.00 179.01 180.52 1x9f h GLY 9 N 1.33 1.14 0.79 1.06 0.00 -0.47 -0.78 103.07 106.15 1x9f h GLY 9 Ca 0.01 -0.76 -0.01 0.00 0.00 0.00 0.00 47.33 46.58 1x9f h GLY 9 CO 0.07 0.70 0.01 -2.00 0.00 0.00 0.00 176.54 175.32 1x9f h LEU 10 N 0.99 0.08 0.25 3.11 5.85 -0.60 -1.37 115.31 123.63 1x9f h LEU 10 Ca 0.20 -0.23 -0.00 0.00 0.84 0.00 0.00 57.88 58.69 1x9f h LEU 10 Cb 0.44 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 1x9f h LEU 10 CO 0.01 0.29 -0.20 0.50 -0.34 0.00 0.00 178.44 178.70 1x9f h LYS 11 N -0.13 -0.45 -0.79 1.25 3.64 -0.96 -2.41 116.57 116.72 1x9f h LYS 11 Ca 0.02 0.03 0.07 0.00 -1.27 0.00 0.00 60.65 59.50 1x9f h LYS 11 Cb 0.24 0.10 -0.06 0.00 -0.41 0.00 0.00 32.23 32.10 1x9f h LYS 11 CO 0.00 -0.30 0.46 0.28 -2.27 0.00 0.00 179.45 177.62 1x9f h VAL 12 N -0.46 0.97 -0.26 2.00 2.07 -1.11 -0.47 116.25 118.98 1x9f h VAL 12 Ca -0.01 -0.28 0.06 0.00 0.82 0.00 0.00 66.70 67.28 1x9f h VAL 12 Cb 0.41 0.08 -0.05 0.00 -1.52 0.00 0.00 31.29 30.21 1x9f h VAL 12 CO -0.02 0.15 -0.09 0.11 0.02 0.00 0.00 177.57 177.74 1x9f h LYS 13 N 0.81 -0.04 0.13 1.57 1.57 -1.08 0.18 116.57 119.71 1x9f h LYS 13 Ca 0.36 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.14 1x9f h LYS 13 Cb 0.25 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.57 1x9f h LYS 13 CO -0.21 -0.03 -0.06 0.77 -0.57 0.00 0.00 179.45 179.36 1x9f h SER 14 N -0.04 -0.15 -0.34 0.86 0.02 -0.85 -1.83 113.55 111.22 1x9f h SER 14 Ca 0.13 -0.05 -0.06 0.00 -0.84 0.00 0.00 61.79 60.97 1x9f h SER 14 Cb 0.24 0.04 -0.02 0.00 0.14 0.00 0.00 62.40 62.80 1x9f h SER 14 CO -0.29 -0.05 0.02 -0.33 -1.14 0.00 0.00 176.83 175.04 1x9f h GLU 15 N -0.23 0.69 -0.16 3.45 5.08 -0.83 -1.38 114.58 121.20 1x9f h GLU 15 Ca -0.02 -0.17 -0.00 0.00 -1.00 0.00 0.00 59.36 58.17 1x9f h GLU 15 Cb 0.18 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 1x9f h GLU 15 CO 0.03 0.70 0.08 2.35 -1.00 0.00 0.00 179.01 181.17 1x9f h TRP 16 N 0.66 0.23 -0.62 4.33 2.91 -0.62 0.03 115.95 122.87 1x9f h TRP 16 Ca 0.14 -0.01 0.13 0.00 1.13 0.00 0.00 58.89 60.28 1x9f h TRP 16 Cb 0.38 -0.07 -0.11 0.00 -0.51 0.00 0.00 29.16 28.85 1x9f h TRP 16 CO 0.02 0.24 -0.04 0.78 -1.03 0.00 0.00 178.44 178.41 1x9f h GLY 17 N 0.15 0.61 1.34 2.65 0.00 -0.39 0.32 103.07 107.76 1x9f h GLY 17 Ca 0.06 0.11 -0.16 0.00 0.00 0.00 0.00 47.33 47.34 1x9f h GLY 17 CO -0.01 -0.21 -0.48 3.21 0.00 0.00 0.00 176.54 179.05 1x9f h ARG 18 N 0.09 0.70 0.06 4.80 3.08 -1.19 -3.29 114.38 118.63 1x9f h ARG 18 Ca 0.32 -0.41 -0.25 0.00 0.07 0.00 0.00 59.98 59.71 1x9f h ARG 18 Cb 0.51 0.03 0.01 0.00 0.08 0.00 0.00 29.97 30.60 1x9f h ARG 18 CO -0.56 1.03 -1.09 0.00 -1.07 0.00 0.00 179.97 178.28 1x9f h ALA 19 N 0.91 0.22 -0.48 0.04 0.00 -0.32 -3.37 119.26 116.25 1x9f h ALA 19 Ca 0.03 -0.78 -0.00 0.00 0.00 0.00 0.00 54.91 54.16 1x9f h ALA 19 Cb 1.04 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 1x9f h ALA 19 CO 0.10 0.85 0.29 -0.92 0.00 0.00 0.00 179.25 179.57 1x9f h TYR 20 N 0.18 0.64 -0.60 0.00 -0.00 -0.45 -3.48 116.97 113.26 1x9f h TYR 20 Ca -0.12 -0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.61 1x9f h TYR 20 Cb 1.76 -0.21 0.00 0.00 -0.00 0.00 0.00 36.73 38.28 1x9f h TYR 20 CO 0.07 0.45 0.00 0.41 -0.00 0.00 0.00 178.16 179.09 1x9f n GLY 21 N -1.10 0.98 3.77 1.82 0.00 -1.25 -4.28 105.19 105.13 1x9f n GLY 21 Ca 0.02 -0.74 -0.08 0.00 0.00 0.00 0.00 46.02 45.22 1x9f n GLY 21 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x9f s SER 22 N -4.00 -0.25 0.93 1.61 1.04 -1.26 -4.74 113.70 107.03 1x9f s SER 22 Ca 0.00 -0.61 0.00 0.00 0.48 0.00 0.00 55.95 55.82 1x9f s SER 22 Cb 0.00 0.69 0.00 0.00 0.10 0.00 0.00 66.02 66.81 1x9f s SER 22 CO 0.00 -1.28 0.00 0.61 0.98 0.00 0.00 173.24 173.55 1x9f n GLY 23 N -0.44 2.94 0.35 7.32 0.00 -1.26 -2.33 105.19 111.77 1x9f n GLY 23 Ca -0.05 -0.09 -0.00 0.00 0.00 0.00 0.00 46.02 45.88 1x9f n GLY 23 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1x9f h HIS 24 N 0.00 1.14 -0.87 1.61 3.86 -1.99 -0.95 115.15 117.95 1x9f h HIS 24 Ca 0.00 0.03 0.09 0.00 -1.16 0.00 0.00 60.37 59.33 1x9f h HIS 24 Cb 0.00 -0.38 -0.06 0.00 1.06 0.00 0.00 27.41 28.03 1x9f h HIS 24 CO 0.00 0.64 0.57 -0.44 0.86 0.00 0.00 177.93 179.56 1x9f h ASP 25 N 1.16 0.80 -0.16 2.45 3.32 -1.86 -0.80 116.42 121.34 1x9f h ASP 25 Ca 0.38 0.02 -0.17 0.00 0.02 0.00 0.00 57.03 57.28 1x9f h ASP 25 Cb 0.04 -0.15 0.01 0.00 0.22 0.00 0.00 39.33 39.44 1x9f h ASP 25 CO -0.13 0.49 -0.57 -0.09 -1.72 0.00 0.00 179.24 177.22 1x9f h ARG 26 N 0.90 0.68 -0.40 3.56 2.43 -1.01 -0.74 114.38 119.79 1x9f h ARG 26 Ca 0.39 -0.51 0.05 0.00 -0.81 0.00 0.00 59.98 59.10 1x9f h ARG 26 Cb 0.35 0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 29.95 1x9f h ARG 26 CO -0.16 1.13 0.15 0.93 -1.51 0.00 0.00 179.97 180.51 1x9f h GLU 27 N 0.36 0.31 -0.42 0.20 5.08 -0.96 0.15 114.58 119.29 1x9f h GLU 27 Ca -0.02 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.29 1x9f h GLU 27 Cb 1.20 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.36 1x9f h GLU 27 CO 0.12 0.20 0.15 0.00 -1.00 0.00 0.00 179.01 178.48 1x9f h ALA 28 N 1.25 0.55 -0.15 3.43 0.00 -1.10 -0.60 119.26 122.64 1x9f h ALA 28 Ca 0.18 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.95 1x9f h ALA 28 Cb 0.15 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1x9f h ALA 28 CO -0.18 0.18 0.04 0.35 0.00 0.00 0.00 179.25 179.65 1x9f h PHE 29 N 0.54 0.08 -0.78 0.00 3.57 -0.89 0.24 116.94 119.69 1x9f h PHE 29 Ca 0.14 0.01 0.12 0.00 3.53 0.00 0.00 57.97 61.77 1x9f h PHE 29 Cb 0.23 -0.01 -0.08 0.00 2.79 0.00 0.00 35.95 38.88 1x9f h PHE 29 CO 0.01 0.04 0.39 0.77 -2.23 0.00 0.00 178.31 177.29 1x9f h SER 30 N 0.11 0.49 -0.06 0.41 0.02 -0.47 -2.23 113.55 111.83 1x9f h SER 30 Ca 0.07 0.08 -0.06 0.00 -0.84 0.00 0.00 61.79 61.03 1x9f h SER 30 Cb 0.05 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.58 1x9f h SER 30 CO -0.08 0.24 -0.19 1.56 -1.14 0.00 0.00 176.83 177.23 1x9f h GLN 31 N 0.62 0.24 -0.96 3.45 4.20 -0.52 -3.07 115.11 119.06 1x9f h GLN 31 Ca 0.41 -0.18 0.15 0.00 0.06 0.00 0.00 58.65 59.09 1x9f h GLN 31 Cb 0.50 0.03 -0.09 0.00 0.30 0.00 0.00 27.48 28.22 1x9f h GLN 31 CO -0.32 0.80 0.57 0.00 -0.67 0.00 0.00 178.83 179.22 1x9f h ALA 32 N 0.44 1.50 -0.03 3.87 0.00 -0.32 -0.57 119.26 124.15 1x9f h ALA 32 Ca -0.01 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1x9f h ALA 32 Cb 0.82 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 1x9f h ALA 32 CO 0.04 0.04 0.01 0.82 0.00 0.00 0.00 179.25 180.16 1x9f h ILE 33 N 0.81 1.17 -0.81 0.00 2.04 -1.42 -1.92 117.51 117.38 1x9f h ILE 33 Ca 0.52 -0.49 -0.04 0.00 1.00 0.00 0.00 64.86 65.84 1x9f h ILE 33 Cb 0.68 1.45 -0.04 0.00 -0.74 0.00 0.00 36.82 38.17 1x9f h ILE 33 CO -0.33 0.13 0.33 -0.50 0.00 0.00 0.00 178.15 177.78 1x9f h TRP 34 N -0.15 1.21 -0.73 1.37 4.06 -1.30 -0.93 115.95 119.48 1x9f h TRP 34 Ca 0.01 -0.09 -0.05 0.00 2.06 0.00 0.00 58.89 60.82 1x9f h TRP 34 Cb 0.21 -0.37 -0.03 0.00 -1.00 0.00 0.00 29.16 27.97 1x9f h TRP 34 CO -0.01 0.91 0.24 0.00 -3.56 0.00 0.00 178.44 176.03 1x9f h ARG 35 N 1.17 1.12 -0.36 0.49 3.08 -1.10 0.68 114.38 119.45 1x9f h ARG 35 Ca 0.27 -0.23 -0.09 0.00 0.07 0.00 0.00 59.98 60.00 1x9f h ARG 35 Cb 0.20 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.07 1x9f h ARG 35 CO -0.02 0.95 -0.13 0.00 -1.07 0.00 0.00 179.97 179.69 1x9f h ALA 36 N 1.12 1.10 0.22 0.04 0.00 -1.05 0.13 119.26 120.81 1x9f h ALA 36 Ca 0.24 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1x9f h ALA 36 Cb 0.28 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1x9f h ALA 36 CO -0.01 0.56 -0.11 1.15 0.00 0.00 0.00 179.25 180.84 1x9f h THR 37 N 0.58 0.82 -0.84 0.00 2.02 -0.57 -2.62 112.91 112.31 1x9f h THR 37 Ca 0.10 -0.23 -0.01 0.00 0.77 0.00 0.00 66.41 67.04 1x9f h THR 37 Cb 0.57 0.96 -0.04 0.00 -1.74 0.00 0.00 68.15 67.90 1x9f h THR 37 CO 0.04 0.05 0.49 -0.26 0.37 0.00 0.00 175.52 176.21 1x9f h PHE 38 N -0.41 1.14 -0.66 3.16 0.05 -0.72 0.51 116.94 120.01 1x9f h PHE 38 Ca -0.03 -0.01 0.09 0.00 3.82 0.00 0.00 57.97 61.83 1x9f h PHE 38 Cb 0.31 -0.37 -0.04 0.00 2.00 0.00 0.00 35.95 37.85 1x9f h PHE 38 CO -0.03 0.77 0.44 0.00 -0.18 0.00 0.00 178.31 179.31 1x9f h ALA 39 N 1.26 1.89 0.17 2.45 0.00 -0.69 -0.48 119.26 123.87 1x9f h ALA 39 Ca 0.30 -0.01 -0.34 0.00 0.00 0.00 0.00 54.91 54.86 1x9f h ALA 39 Cb -0.01 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1x9f h ALA 39 CO -0.05 -0.03 -1.69 0.37 0.00 0.00 0.00 179.25 177.85 1x9f h GLN 40 N 0.55 0.35 -2.09 0.00 4.15 -0.94 -3.41 115.11 113.72 1x9f h GLN 40 Ca 0.30 -0.60 -0.57 0.00 0.77 0.00 0.00 58.65 58.54 1x9f h GLN 40 Cb 0.45 0.23 -0.40 0.00 0.21 0.00 0.00 27.48 27.96 1x9f h GLN 40 CO -0.10 1.26 -0.89 1.33 -1.93 0.00 0.00 178.83 178.50 1x9f n VAL 41 N -3.55 0.73 0.30 2.39 0.24 0.09 -4.95 118.33 113.59 1x9f n VAL 41 Ca -0.22 -4.60 0.13 0.00 -2.04 0.00 0.00 64.34 57.60 1x9f n VAL 41 Cb 1.07 -1.88 0.71 0.00 -1.47 0.00 0.00 33.84 32.26 1x9f n VAL 41 CO 0.00 0.00 0.00 1.55 -2.14 0.00 0.00 176.83 176.24 1x9f h PRO 42 N 3.95 0.00 -0.93 7.34 0.13 -1.33 0.21 132.00 141.38 1x9f h PRO 42 Ca 0.13 0.00 0.08 0.00 -0.87 0.00 0.00 66.00 65.34 1x9f h PRO 42 Cb 0.78 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 31.84 1x9f h PRO 42 CO 0.63 0.00 0.58 0.93 -0.23 0.00 0.00 178.00 179.91 1x9f h GLU 43 N 0.00 0.98 0.00 0.86 4.39 -1.92 -2.95 114.58 115.93 1x9f h GLU 43 Ca 0.00 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.63 1x9f h GLU 43 Cb 0.70 -0.22 -0.00 0.00 -0.10 0.00 0.00 28.75 29.13 1x9f h GLU 43 CO 0.00 0.65 -0.06 0.66 -1.16 0.00 0.00 179.01 179.10 1x9f h SER 44 N 1.01 0.00 -0.98 1.42 4.64 -0.94 -3.00 113.55 115.69 1x9f h SER 44 Ca 0.42 0.00 0.20 0.00 -0.47 0.00 0.00 61.79 61.95 1x9f h SER 44 Cb 0.28 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 62.27 1x9f h SER 44 CO -0.21 0.06 0.62 -0.09 -0.87 0.00 0.00 176.83 176.33 1x9f h ARG 45 N 0.00 0.61 -0.00 4.77 2.43 -1.68 -1.31 114.38 119.21 1x9f h ARG 45 Ca -0.00 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1x9f h ARG 45 Cb 0.14 -0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 29.56 1x9f h ARG 45 CO 0.01 0.41 0.00 0.66 -1.51 0.00 0.00 179.97 179.54 1x9f h SER 46 N 0.63 0.00 1.07 -3.80 4.64 -1.75 -0.40 113.55 113.95 1x9f h SER 46 Ca 0.55 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.87 1x9f h SER 46 Cb 1.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.12 1x9f h SER 46 CO -0.31 0.00 0.00 -0.07 -0.87 0.00 0.00 176.83 175.58 1x9f h LEU 47 N 0.00 0.00 -3.35 5.97 4.07 -1.47 -3.18 115.31 117.34 1x9f h LEU 47 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1x9f h LEU 47 Cb 0.01 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.75 1x9f h LEU 47 CO -0.00 0.00 0.00 0.49 -1.08 0.00 0.00 178.44 177.85 1x9f n PHE 48 N -2.79 1.28 -0.30 1.13 3.01 -0.16 -4.57 117.46 115.06 1x9f n PHE 48 Ca 0.02 -0.83 -0.04 0.00 1.01 0.00 0.00 57.45 57.61 1x9f n PHE 48 Cb 0.32 -0.37 0.10 0.00 -0.01 0.00 0.00 39.48 39.52 1x9f n PHE 48 CO 0.00 0.00 0.00 -0.22 1.01 0.00 0.00 176.76 177.55 1x9f h LYS 49 N 2.48 1.20 0.00 -1.08 1.63 -1.65 0.29 116.57 119.43 1x9f h LYS 49 Ca 0.00 -0.16 0.00 0.00 -0.85 0.00 0.00 60.65 59.64 1x9f h LYS 49 Cb 1.60 -0.23 0.00 0.00 -0.60 0.00 0.00 32.23 33.01 1x9f h LYS 49 CO 0.30 0.90 0.00 -0.09 -3.45 0.00 0.00 179.45 177.11 1x9f h ARG 50 N 1.20 0.00 -0.37 1.90 2.43 -1.88 -2.90 114.38 114.76 1x9f h ARG 50 Ca 0.29 0.00 -0.28 0.00 -0.81 0.00 0.00 59.98 59.18 1x9f h ARG 50 Cb 0.08 0.00 -0.28 0.00 -0.42 0.00 0.00 29.97 29.35 1x9f h ARG 50 CO -0.04 0.00 -0.78 1.55 -1.51 0.00 0.00 179.97 179.19 1x9f n VAL 51 N -2.42 1.97 -3.97 0.20 3.14 -0.56 -4.97 118.33 111.71 1x9f n VAL 51 Ca -0.01 -3.36 -0.28 0.00 -2.96 0.00 0.00 64.34 57.73 1x9f n VAL 51 Cb 0.08 -0.26 -0.01 0.00 -1.06 0.00 0.00 33.84 32.58 1x9f n VAL 51 CO 0.00 0.00 0.00 1.41 -6.46 0.00 0.00 176.83 171.78 1x9f n HIS 52 N -0.70 -1.77 0.30 1.45 8.25 -1.09 -3.19 115.22 118.47 1x9f n HIS 52 Ca 0.26 0.79 0.17 0.00 -0.26 0.00 0.00 57.72 58.68 1x9f n HIS 52 Cb 0.87 -3.69 0.92 0.00 1.12 0.00 0.00 29.99 29.22 1x9f n HIS 52 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 1x9f h GLY 53 N -1.80 0.00 2.00 -1.41 0.00 -0.67 -2.13 103.07 99.05 1x9f h GLY 53 Ca -0.62 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 46.70 1x9f h GLY 53 CO 0.65 0.00 -0.07 1.29 0.00 0.00 0.00 176.54 178.42 1x9f h ASP 54 N 0.00 0.00 -3.20 0.19 2.03 -1.86 -3.39 116.42 110.19 1x9f h ASP 54 Ca -0.00 0.00 -0.53 0.00 -0.73 0.00 0.00 57.03 55.77 1x9f h ASP 54 Cb 0.20 0.00 -0.40 0.00 -0.83 0.00 0.00 39.33 38.30 1x9f h ASP 54 CO 0.01 0.07 -0.76 -0.62 -1.03 0.00 0.00 179.24 176.90 1x9f s ASP 55 N -6.20 3.20 0.00 4.15 2.15 -0.80 -5.01 116.67 114.15 1x9f s ASP 55 Ca -0.04 -1.03 0.22 0.00 0.43 0.00 0.00 52.55 52.13 1x9f s ASP 55 Cb 0.14 -0.62 1.11 0.00 -0.30 0.00 0.00 42.92 43.25 1x9f s ASP 55 CO 0.57 -0.34 1.72 0.35 -0.17 0.00 0.00 175.17 177.30 1x9f n THR 56 N 5.03 0.32 0.61 1.71 -2.24 -1.26 -1.99 114.28 116.46 1x9f n THR 56 Ca -0.07 0.08 0.11 0.00 -2.27 0.00 0.00 64.05 61.90 1x9f n THR 56 Cb 0.46 -0.71 0.07 0.00 -2.10 0.00 0.00 70.33 68.04 1x9f n THR 56 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1x9f n SER 57 N -1.30 0.63 -4.74 3.42 7.64 -1.26 -4.53 113.62 113.48 1x9f n SER 57 Ca 0.10 -0.15 -0.42 0.00 1.01 0.00 0.00 58.87 59.41 1x9f n SER 57 Cb 0.18 0.61 -0.02 0.00 -1.01 0.00 0.00 64.21 63.98 1x9f n SER 57 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 1x9f n HIS 58 N -1.95 2.78 -0.24 1.43 -0.00 -0.84 -4.83 115.22 111.57 1x9f n HIS 58 Ca 0.03 0.29 0.13 0.00 0.46 0.00 0.00 57.72 58.62 1x9f n HIS 58 Cb 0.43 -2.58 0.41 0.00 -0.12 0.00 0.00 29.99 28.13 1x9f n HIS 58 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 1x9f h PRO 59 N 4.56 0.61 0.00 1.57 0.13 -1.92 -0.73 132.00 136.22 1x9f h PRO 59 Ca -0.47 -0.04 -0.07 0.00 -0.87 0.00 0.00 66.00 64.55 1x9f h PRO 59 Cb 1.23 -0.14 -0.01 0.00 0.13 0.00 0.00 31.00 32.21 1x9f h PRO 59 CO 0.78 0.40 -0.35 0.00 -0.23 0.00 0.00 178.00 178.60 1x9f h ALA 60 N 1.61 1.39 0.08 -0.56 0.00 -1.89 -1.25 119.26 118.63 1x9f h ALA 60 Ca 0.43 -0.32 -0.27 0.00 0.00 0.00 0.00 54.91 54.75 1x9f h ALA 60 Cb 0.75 -0.06 0.02 0.00 0.00 0.00 0.00 17.79 18.50 1x9f h ALA 60 CO -0.18 0.44 -1.15 0.35 0.00 0.00 0.00 179.25 178.71 1x9f h PHE 61 N 0.00 0.80 -0.16 0.00 3.57 -1.12 -2.65 116.94 117.38 1x9f h PHE 61 Ca -0.00 -0.49 0.03 0.00 3.53 0.00 0.00 57.97 61.03 1x9f h PHE 61 Cb 0.63 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 39.27 1x9f h PHE 61 CO 0.00 1.34 -0.03 0.82 -2.23 0.00 0.00 178.31 178.21 1x9f h ILE 62 N 0.23 0.85 -0.26 1.41 1.08 -0.84 0.19 117.51 120.17 1x9f h ILE 62 Ca -0.14 -0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.38 1x9f h ILE 62 Cb 1.81 0.83 -0.06 0.00 -3.07 0.00 0.00 36.82 36.34 1x9f h ILE 62 CO 0.21 0.00 -0.11 0.00 -0.69 0.00 0.00 178.15 177.56 1x9f h ALA 63 N 1.16 0.10 -0.41 1.87 0.00 -1.29 0.26 119.26 120.95 1x9f h ALA 63 Ca 0.08 0.10 0.06 0.00 0.00 0.00 0.00 54.91 55.15 1x9f h ALA 63 Cb 0.11 0.28 -0.05 0.00 0.00 0.00 0.00 17.79 18.13 1x9f h ALA 63 CO -0.16 -0.52 0.10 1.25 0.00 0.00 0.00 179.25 179.92 1x9f h HIS 64 N -0.07 0.16 -0.20 0.00 -0.00 -1.07 0.19 115.15 114.16 1x9f h HIS 64 Ca 0.13 0.02 -0.02 0.00 -0.00 0.00 0.00 60.37 60.50 1x9f h HIS 64 Cb 0.28 -0.01 -0.01 0.00 -0.00 0.00 0.00 27.41 27.67 1x9f h HIS 64 CO -0.30 0.03 0.03 0.00 -0.00 0.00 0.00 177.93 177.69 1x9f h ALA 65 N 1.30 0.27 -0.72 5.26 0.00 0.35 0.00 119.26 125.73 1x9f h ALA 65 Ca 0.20 -0.17 0.04 0.00 0.00 0.00 0.00 54.91 54.97 1x9f h ALA 65 Cb 0.23 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 1x9f h ALA 65 CO -0.25 -0.05 0.48 -0.44 0.00 0.00 0.00 179.25 178.99 1x9f h ASP 66 N 0.13 0.75 -0.70 0.00 3.45 -0.32 -1.55 116.42 118.19 1x9f h ASP 66 Ca 0.06 -0.01 -0.07 0.00 0.43 0.00 0.00 57.03 57.44 1x9f h ASP 66 Cb 0.32 -0.17 -0.03 0.00 -0.56 0.00 0.00 39.33 38.89 1x9f h ASP 66 CO 0.00 0.52 0.16 -0.09 -1.57 0.00 0.00 179.24 178.26 1x9f h ARG 67 N 0.87 1.13 0.34 3.56 2.43 0.10 0.12 114.38 122.94 1x9f h ARG 67 Ca 0.29 -0.28 -0.02 0.00 -0.81 0.00 0.00 59.98 59.17 1x9f h ARG 67 Cb 0.07 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.47 1x9f h ARG 67 CO -0.08 1.00 -0.16 0.28 -1.51 0.00 0.00 179.97 179.49 1x9f h VAL 68 N 1.07 0.68 0.00 0.20 2.07 -0.46 -2.01 116.25 117.80 1x9f h VAL 68 Ca 0.22 -0.21 -0.01 0.00 0.82 0.00 0.00 66.70 67.53 1x9f h VAL 68 Cb 0.38 0.79 -0.00 0.00 -1.52 0.00 0.00 31.29 30.94 1x9f h VAL 68 CO 0.00 0.04 -0.02 -0.07 0.02 0.00 0.00 177.57 177.54 1x9f h LEU 69 N -0.57 0.00 -0.50 2.57 3.38 -1.16 0.25 115.31 119.28 1x9f h LEU 69 Ca -0.05 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 1x9f h LEU 69 Cb 0.42 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 1x9f h LEU 69 CO 0.08 0.02 0.21 1.23 0.09 0.00 0.00 178.44 180.07 1x9f h GLY 70 N 0.15 0.80 0.95 0.83 0.00 -0.26 0.44 103.07 105.98 1x9f h GLY 70 Ca -0.00 -0.43 -0.11 0.00 0.00 0.00 0.00 47.33 46.79 1x9f h GLY 70 CO 0.00 0.40 -0.23 -1.33 0.00 0.00 0.00 176.54 175.39 1x9f h GLY 71 N 0.67 0.75 1.20 4.60 0.00 -0.40 -2.78 103.07 107.11 1x9f h GLY 71 Ca 0.17 -0.73 0.01 0.00 0.00 0.00 0.00 47.33 46.78 1x9f h GLY 71 CO -0.02 0.66 0.54 -2.00 0.00 0.00 0.00 176.54 175.73 1x9f h LEU 72 N 0.44 0.93 -0.51 3.11 5.85 -0.90 -2.22 115.31 122.01 1x9f h LEU 72 Ca 0.06 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 1x9f h LEU 72 Cb 0.79 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.56 1x9f h LEU 72 CO 0.06 0.68 0.29 -0.78 -0.34 0.00 0.00 178.44 178.35 1x9f h ASP 73 N 1.10 0.62 -0.17 1.25 1.82 -0.78 0.45 116.42 120.72 1x9f h ASP 73 Ca 0.30 -0.07 -0.00 0.00 -0.39 0.00 0.00 57.03 56.86 1x9f h ASP 73 Cb -0.12 -0.16 -0.01 0.00 0.68 0.00 0.00 39.33 39.72 1x9f h ASP 73 CO -0.07 0.52 0.10 0.40 -1.61 0.00 0.00 179.24 178.58 1x9f h ILE 74 N 0.68 1.09 0.45 2.25 2.04 -1.20 -0.51 117.51 122.31 1x9f h ILE 74 Ca 0.18 -0.23 -0.01 0.00 1.00 0.00 0.00 64.86 65.80 1x9f h ILE 74 Cb 0.02 0.93 -0.01 0.00 -0.74 0.00 0.00 36.82 37.02 1x9f h ILE 74 CO -0.03 0.08 -0.31 0.00 0.00 0.00 0.00 178.15 177.89 1x9f h ALA 75 N 1.01 -0.74 -0.50 1.87 0.00 -1.06 -1.75 119.26 118.08 1x9f h ALA 75 Ca 0.06 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 54.87 1x9f h ALA 75 Cb 0.05 0.39 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 1x9f h ALA 75 CO -0.01 -0.94 0.27 0.82 0.00 0.00 0.00 179.25 179.39 1x9f h ILE 76 N -0.74 0.99 0.00 0.00 2.04 -0.92 -2.09 117.51 116.79 1x9f h ILE 76 Ca -0.05 -0.18 -0.00 0.00 1.00 0.00 0.00 64.86 65.63 1x9f h ILE 76 Cb 0.62 0.41 -0.00 0.00 -0.74 0.00 0.00 36.82 37.11 1x9f h ILE 76 CO 0.03 0.10 -0.02 0.77 0.00 0.00 0.00 178.15 179.03 1x9f h SER 77 N 0.53 0.00 -0.24 1.72 4.64 -0.89 -2.26 113.55 117.05 1x9f h SER 77 Ca 0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 1x9f h SER 77 Cb 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 1x9f h SER 77 CO -0.13 0.02 0.00 0.35 -0.87 0.00 0.00 176.83 176.20 1x9f n THR 78 N -3.24 2.06 -0.25 2.95 -2.24 -0.68 -4.62 114.28 108.27 1x9f n THR 78 Ca -0.02 -1.79 0.23 0.00 -2.27 0.00 0.00 64.05 60.21 1x9f n THR 78 Cb 0.15 -0.14 0.58 0.00 -2.10 0.00 0.00 70.33 68.82 1x9f n THR 78 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1x9f h LEU 79 N 1.62 0.28 -1.05 3.22 3.38 -0.85 0.13 115.31 122.04 1x9f h LEU 79 Ca 0.00 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1x9f h LEU 79 Cb 1.29 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.03 1x9f h LEU 79 CO 0.17 0.09 0.00 -0.90 0.09 0.00 0.00 178.44 177.89 1x9f n ASP 80 N -4.45 1.59 -3.72 -0.43 5.75 -1.26 -4.42 116.55 109.61 1x9f n ASP 80 Ca 0.21 -1.65 -0.28 0.00 -0.01 0.00 0.00 54.79 53.06 1x9f n ASP 80 Cb 0.84 -0.08 -0.12 0.00 -1.03 0.00 0.00 41.12 40.74 1x9f n ASP 80 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 1x9f s GLN 81 N -1.84 1.84 0.26 0.11 -0.21 0.45 -5.00 119.66 115.27 1x9f s GLN 81 Ca 0.34 -2.80 -0.01 0.00 0.02 0.00 0.00 55.36 52.90 1x9f s GLN 81 Cb 0.18 -2.68 0.55 0.00 1.00 0.00 0.00 33.01 32.07 1x9f s GLN 81 CO 0.28 -1.30 1.75 -1.00 -2.12 0.00 0.00 175.29 172.89 1x9f h PRO 82 N 5.63 0.54 -0.36 2.91 0.13 -1.77 0.01 132.00 139.10 1x9f h PRO 82 Ca 0.16 -0.03 -0.05 0.00 -0.87 0.00 0.00 66.00 65.21 1x9f h PRO 82 Cb 0.82 -0.12 -0.01 0.00 0.13 0.00 0.00 31.00 31.82 1x9f h PRO 82 CO 0.58 0.36 0.01 0.00 -0.23 0.00 0.00 178.00 178.73 1x9f h ALA 83 N 1.58 0.48 -0.36 -0.56 0.00 -1.94 0.05 119.26 118.51 1x9f h ALA 83 Ca 0.47 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 55.10 1x9f h ALA 83 Cb 0.71 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1x9f h ALA 83 CO -0.39 0.24 0.05 1.15 0.00 0.00 0.00 179.25 180.30 1x9f h THR 84 N 0.45 1.24 -0.83 0.00 2.02 -1.80 -2.22 112.91 111.77 1x9f h THR 84 Ca 0.10 -0.85 0.06 0.00 0.77 0.00 0.00 66.41 66.50 1x9f h THR 84 Cb 0.44 1.10 -0.06 0.00 -1.74 0.00 0.00 68.15 67.89 1x9f h THR 84 CO 0.02 0.29 0.51 0.25 0.37 0.00 0.00 175.52 176.95 1x9f h LEU 85 N 0.44 0.79 -0.37 2.58 5.85 -0.76 -0.30 115.31 123.55 1x9f h LEU 85 Ca 0.11 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.85 1x9f h LEU 85 Cb 0.36 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 1x9f h LEU 85 CO 0.01 0.50 0.22 0.50 -0.34 0.00 0.00 178.44 179.33 1x9f h LYS 86 N 0.92 0.50 -0.73 1.25 1.63 -0.83 0.23 116.57 119.55 1x9f h LYS 86 Ca 0.36 -0.05 -0.04 0.00 -0.85 0.00 0.00 60.65 60.08 1x9f h LYS 86 Cb 0.18 -0.10 -0.03 0.00 -0.60 0.00 0.00 32.23 31.67 1x9f h LYS 86 CO -0.18 0.38 0.31 1.49 -3.45 0.00 0.00 179.45 178.00 1x9f h GLU 87 N 0.48 1.07 -0.14 1.90 4.57 -0.75 -0.68 114.58 121.03 1x9f h GLU 87 Ca 0.13 -0.17 -0.07 0.00 -1.18 0.00 0.00 59.36 58.07 1x9f h GLU 87 Cb 0.01 -0.18 -0.00 0.00 -0.16 0.00 0.00 28.75 28.42 1x9f h GLU 87 CO -0.02 0.85 -0.17 1.49 -1.18 0.00 0.00 179.01 179.98 1x9f h GLU 88 N 1.05 0.36 -0.44 1.92 4.57 -0.55 -2.77 114.58 118.71 1x9f h GLU 88 Ca 0.25 -0.20 -0.00 0.00 -1.18 0.00 0.00 59.36 58.23 1x9f h GLU 88 Cb 0.17 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.76 1x9f h GLU 88 CO -0.02 0.77 0.27 -0.07 -1.18 0.00 0.00 179.01 178.77 1x9f h LEU 89 N -0.03 0.52 -0.58 1.64 3.38 -0.32 -1.81 115.31 118.10 1x9f h LEU 89 Ca 0.02 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 1x9f h LEU 89 Cb 0.72 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.32 1x9f h LEU 89 CO 0.04 0.40 0.14 0.44 0.09 0.00 0.00 178.44 179.54 1x9f h ASP 90 N 0.60 0.89 -0.62 -0.43 3.32 -1.13 0.56 116.42 119.62 1x9f h ASP 90 Ca 0.16 -0.24 0.02 0.00 0.02 0.00 0.00 57.03 57.00 1x9f h ASP 90 Cb -0.03 -0.23 -0.04 0.00 0.22 0.00 0.00 39.33 39.25 1x9f h ASP 90 CO -0.03 0.89 0.38 -0.74 -1.72 0.00 0.00 179.24 178.03 1x9f h HIS 91 N 0.84 0.72 -0.26 4.55 2.76 -1.06 -0.80 115.15 121.91 1x9f h HIS 91 Ca 0.18 0.02 -0.09 0.00 -2.20 0.00 0.00 60.37 58.28 1x9f h HIS 91 Cb 0.35 -0.24 -0.01 0.00 1.55 0.00 0.00 27.41 29.07 1x9f h HIS 91 CO 0.03 0.42 -0.19 -0.07 -1.30 0.00 0.00 177.93 176.81 1x9f h LEU 92 N 0.76 0.61 -0.43 0.26 3.38 -1.17 -2.69 115.31 116.02 1x9f h LEU 92 Ca 0.25 -0.45 0.08 0.00 0.09 0.00 0.00 57.88 57.85 1x9f h LEU 92 Cb 0.01 -0.17 -0.07 0.00 0.09 0.00 0.00 40.66 40.52 1x9f h LEU 92 CO -0.10 0.93 -0.00 -0.61 0.09 0.00 0.00 178.44 178.75 1x9f h GLN 93 N 0.30 0.10 -0.62 1.13 4.15 -0.67 0.73 115.11 120.25 1x9f h GLN 93 Ca 0.05 -0.01 0.10 0.00 0.77 0.00 0.00 58.65 59.57 1x9f h GLN 93 Cb 0.73 -0.02 -0.04 0.00 0.21 0.00 0.00 27.48 28.36 1x9f h GLN 93 CO 0.05 0.07 0.41 0.28 -1.93 0.00 0.00 178.83 177.72 1x9f h VAL 94 N 0.11 0.88 0.00 2.39 2.07 -0.98 0.27 116.25 120.99 1x9f h VAL 94 Ca 0.21 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.59 1x9f h VAL 94 Cb 0.31 0.44 0.00 0.00 -1.52 0.00 0.00 31.29 30.52 1x9f h VAL 94 CO -0.35 0.07 -0.22 1.56 0.02 0.00 0.00 177.57 178.65 1x9f h GLN 95 N 0.41 0.00 0.00 1.57 4.20 -0.60 -3.33 115.11 117.36 1x9f h GLN 95 Ca 0.29 0.00 -0.15 0.00 0.06 0.00 0.00 58.65 58.84 1x9f h GLN 95 Cb 0.58 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.33 1x9f h GLN 95 CO -0.08 0.00 -1.92 0.72 -0.67 0.00 0.00 178.83 176.88 1x9f n HIS 96 N -2.24 0.00 -1.97 2.96 8.25 -0.25 -4.89 115.22 117.07 1x9f n HIS 96 Ca 0.05 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.10 1x9f n HIS 96 Cb 0.44 -0.59 -0.02 0.00 1.12 0.00 0.00 29.99 30.94 1x9f n HIS 96 CO 0.00 0.00 0.00 -1.83 0.64 0.00 0.00 176.34 175.15 1x9f s GLU 97 N -2.73 4.24 0.00 -0.41 -1.05 0.82 -2.14 118.70 117.43 1x9f s GLU 97 Ca -0.07 2.36 0.00 0.00 -0.15 0.00 0.00 54.97 57.11 1x9f s GLU 97 Cb 0.07 -3.06 0.00 0.00 -0.44 0.00 0.00 34.13 30.71 1x9f s GLU 97 CO 0.66 -0.39 0.00 0.41 0.95 0.00 0.00 175.26 176.89 1x9f n GLY 98 N 1.38 3.07 3.78 -3.83 0.00 -1.26 -4.95 105.19 103.38 1x9f n GLY 98 Ca 0.04 -0.89 -0.36 0.00 0.00 0.00 0.00 46.02 44.81 1x9f n GLY 98 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1x9f s ARG 99 N 0.00 3.76 -1.06 1.61 0.52 -0.91 -4.96 118.95 117.92 1x9f s ARG 99 Ca 0.00 1.66 -0.16 0.00 -0.52 0.00 0.00 55.73 56.71 1x9f s ARG 99 Cb 0.00 -2.33 0.16 0.00 0.52 0.00 0.00 34.95 33.30 1x9f s ARG 99 CO 0.00 -0.52 1.24 0.15 0.02 0.00 0.00 175.30 176.19 1x9f s LYS 100 N -2.82 3.86 -0.36 3.54 1.02 -1.26 -4.94 119.74 118.77 1x9f s LYS 100 Ca 0.64 -2.27 -0.00 0.00 0.02 0.00 0.00 55.97 54.36 1x9f s LYS 100 Cb -0.25 -4.93 0.10 0.00 -0.52 0.00 0.00 37.83 32.22 1x9f s LYS 100 CO 0.31 -1.70 0.11 0.42 -0.92 0.00 0.00 175.35 173.56 1x9f s ILE 101 N 1.76 2.89 0.55 2.17 1.01 -1.26 -5.09 121.20 123.23 1x9f s ILE 101 Ca 0.36 -2.02 -0.17 0.00 0.00 0.00 0.00 60.65 58.82 1x9f s ILE 101 Cb -0.05 -2.96 -0.06 0.00 0.01 0.00 0.00 42.46 39.41 1x9f s ILE 101 CO -0.05 -0.54 1.05 -2.16 0.00 0.00 0.00 174.94 173.23 1x9f s PRO 102 N 1.09 3.52 0.36 2.79 0.04 -1.26 -4.93 135.00 136.61 1x9f s PRO 102 Ca 0.06 1.24 0.15 0.00 0.04 0.00 0.00 61.00 62.49 1x9f s PRO 102 Cb -0.21 -2.06 1.02 0.00 0.04 0.00 0.00 34.50 33.29 1x9f s PRO 102 CO -0.05 -0.65 1.75 -0.44 0.04 0.00 0.00 177.00 177.65 1x9f h ASP 103 N 0.86 0.54 -0.96 6.66 3.32 -2.00 0.16 116.42 124.99 1x9f h ASP 103 Ca -0.48 0.11 0.36 0.00 0.02 0.00 0.00 57.03 57.04 1x9f h ASP 103 Cb 1.22 0.03 -0.18 0.00 0.22 0.00 0.00 39.33 40.62 1x9f h ASP 103 CO 0.58 0.08 0.36 -3.20 -1.72 0.00 0.00 179.24 175.35 1x9f n ASN 104 N -4.75 0.20 0.01 6.45 5.15 -1.26 -0.81 115.26 120.25 1x9f n ASN 104 Ca 0.26 1.61 -0.09 0.00 -0.60 0.00 0.00 54.58 55.77 1x9f n ASN 104 Cb 0.84 -0.72 -0.07 0.00 -0.53 0.00 0.00 39.78 39.29 1x9f n ASN 104 CO 0.00 0.00 0.00 1.88 1.40 0.00 0.00 177.26 180.54 1x9f h TYR 105 N 0.00 -0.12 -0.91 1.20 0.99 -1.04 -2.53 116.97 114.56 1x9f h TYR 105 Ca 0.75 -0.00 0.22 0.00 2.00 0.00 0.00 58.73 61.70 1x9f h TYR 105 Cb 1.87 0.04 -0.06 0.00 1.00 0.00 0.00 36.73 39.58 1x9f h TYR 105 CO -0.16 0.35 0.61 0.74 -0.00 0.00 0.00 178.16 179.70 1x9f h PHE 106 N -0.93 0.41 -0.26 4.88 -1.00 -1.49 0.13 116.94 118.68 1x9f h PHE 106 Ca -0.01 0.01 -0.07 0.00 2.81 0.00 0.00 57.97 60.71 1x9f h PHE 106 Cb 0.52 -0.12 -0.01 0.00 3.61 0.00 0.00 35.95 39.95 1x9f h PHE 106 CO 0.11 0.10 -0.10 0.22 -1.61 0.00 0.00 178.31 177.02 1x9f h ASP 107 N 0.30 0.54 -0.44 2.17 3.58 -0.99 -1.14 116.42 120.43 1x9f h ASP 107 Ca 0.47 -0.40 -0.07 0.00 0.42 0.00 0.00 57.03 57.45 1x9f h ASP 107 Cb 1.33 -0.15 -0.02 0.00 1.72 0.00 0.00 39.33 42.22 1x9f h ASP 107 CO -0.14 0.81 -0.00 0.00 -2.88 0.00 0.00 179.24 177.03 1x9f h ALA 108 N 0.74 0.59 -0.29 -0.78 0.00 -0.50 -2.39 119.26 116.64 1x9f h ALA 108 Ca 0.06 -0.27 0.06 0.00 0.00 0.00 0.00 54.91 54.76 1x9f h ALA 108 Cb 0.60 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 18.17 1x9f h ALA 108 CO 0.03 0.39 -0.09 0.35 0.00 0.00 0.00 179.25 179.93 1x9f h PHE 109 N 0.62 -0.20 -0.47 0.00 3.04 -0.78 0.30 116.94 119.46 1x9f h PHE 109 Ca 0.12 0.03 0.07 0.00 3.98 0.00 0.00 57.97 62.18 1x9f h PHE 109 Cb 0.50 0.13 -0.06 0.00 2.56 0.00 0.00 35.95 39.08 1x9f h PHE 109 CO 0.04 -0.15 0.11 -0.22 -2.02 0.00 0.00 178.31 176.07 1x9f h LYS 110 N -0.03 0.24 -0.75 1.11 3.64 -1.09 0.24 116.57 119.94 1x9f h LYS 110 Ca 0.14 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.51 1x9f h LYS 110 Cb 0.24 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 31.97 1x9f h LYS 110 CO -0.31 0.16 0.46 1.15 -2.27 0.00 0.00 179.45 178.64 1x9f h THR 111 N 0.25 1.20 0.34 1.00 2.02 -0.87 -1.15 112.91 115.71 1x9f h THR 111 Ca 0.23 -0.43 -0.02 0.00 0.77 0.00 0.00 66.41 66.97 1x9f h THR 111 Cb 0.29 0.14 0.00 0.00 -1.74 0.00 0.00 68.15 66.84 1x9f h THR 111 CO -0.29 0.21 -0.17 0.00 0.37 0.00 0.00 175.52 175.65 1x9f h ALA 112 N 1.49 -0.46 -0.25 6.16 0.00 0.08 -0.14 119.26 126.13 1x9f h ALA 112 Ca 0.27 -0.16 0.05 0.00 0.00 0.00 0.00 54.91 55.07 1x9f h ALA 112 Cb -0.06 0.18 -0.07 0.00 0.00 0.00 0.00 17.79 17.83 1x9f h ALA 112 CO -0.05 -0.66 -0.50 0.82 0.00 0.00 0.00 179.25 178.86 1x9f h ILE 113 N -0.66 0.05 -0.78 0.00 2.04 -0.76 0.87 117.51 118.28 1x9f h ILE 113 Ca -0.05 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.89 1x9f h ILE 113 Cb 0.47 0.05 -0.05 0.00 -0.74 0.00 0.00 36.82 36.55 1x9f h ILE 113 CO 0.08 0.00 0.51 -0.07 0.00 0.00 0.00 178.15 178.67 1x9f h LEU 114 N -0.47 0.70 -0.08 1.44 4.07 -1.22 -0.31 115.31 119.43 1x9f h LEU 114 Ca 0.07 0.01 -0.02 0.00 0.08 0.00 0.00 57.88 58.02 1x9f h LEU 114 Cb 0.64 -0.14 -0.00 0.00 1.08 0.00 0.00 40.66 42.23 1x9f h LEU 114 CO -0.49 0.44 -0.02 -0.74 -1.08 0.00 0.00 178.44 176.54 1x9f h HIS 115 N 0.79 0.17 -0.41 1.13 2.76 0.51 -2.10 115.15 118.00 1x9f h HIS 115 Ca 0.34 -0.04 -0.15 0.00 -2.20 0.00 0.00 60.37 58.32 1x9f h HIS 115 Cb 0.32 -0.04 -0.01 0.00 1.55 0.00 0.00 27.41 29.23 1x9f h HIS 115 CO -0.00 0.49 -0.34 0.28 -1.30 0.00 0.00 177.93 177.06 1x9f h VAL 116 N -0.20 1.27 -0.10 5.26 2.07 -0.54 -2.61 116.25 121.41 1x9f h VAL 116 Ca 0.02 -1.51 -0.00 0.00 0.82 0.00 0.00 66.70 66.02 1x9f h VAL 116 Cb 0.44 1.31 -0.00 0.00 -1.52 0.00 0.00 31.29 31.52 1x9f h VAL 116 CO 0.01 0.51 0.05 0.58 0.02 0.00 0.00 177.57 178.74 1x9f h VAL 117 N 0.78 1.10 -0.76 2.57 2.07 -1.11 -0.80 116.25 120.11 1x9f h VAL 117 Ca 0.07 -0.27 0.12 0.00 0.82 0.00 0.00 66.70 67.44 1x9f h VAL 117 Cb 0.93 1.10 -0.05 0.00 -1.52 0.00 0.00 31.29 31.75 1x9f h VAL 117 CO 0.09 0.09 0.50 0.00 0.02 0.00 0.00 177.57 178.26 1x9f h ALA 118 N 0.94 1.95 0.02 1.67 0.00 -1.30 -0.22 119.26 122.32 1x9f h ALA 118 Ca 0.03 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1x9f h ALA 118 Cb 0.09 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1x9f h ALA 118 CO -0.01 -0.13 -0.01 0.00 0.00 0.00 0.00 179.25 179.11 1x9f h ALA 119 N 1.63 -0.03 -0.94 0.00 0.00 -1.08 -1.44 119.26 117.42 1x9f h ALA 119 Ca 0.36 -0.17 0.12 0.00 0.00 0.00 0.00 54.91 55.22 1x9f h ALA 119 Cb 0.65 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.37 1x9f h ALA 119 CO -0.13 -0.35 0.60 1.96 0.00 0.00 0.00 179.25 181.33 1x9f h GLN 120 N -0.36 0.86 -0.01 0.00 1.08 0.36 -3.16 115.11 113.88 1x9f h GLN 120 Ca -0.00 -0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.15 1x9f h GLN 120 Cb 0.34 -0.19 0.00 0.00 -0.05 0.00 0.00 27.48 27.58 1x9f h GLN 120 CO 0.00 0.57 -0.20 1.28 -0.95 0.00 0.00 178.83 179.53 1x9f n LEU 121 N -4.58 1.84 0.00 1.46 4.77 -0.25 -4.98 117.00 115.26 1x9f n LEU 121 Ca 0.17 -0.85 0.00 0.00 -0.03 0.00 0.00 56.01 55.31 1x9f n LEU 121 Cb 0.37 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 1x9f n LEU 121 CO 0.29 0.34 0.00 0.61 -1.33 0.00 0.00 177.39 177.30 1x9f n GLY 122 N 1.04 4.31 0.11 -0.72 0.00 -0.54 -2.22 105.19 107.16 1x9f n GLY 122 Ca 0.07 0.15 -0.13 0.00 0.00 0.00 0.00 46.02 46.11 1x9f n GLY 122 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1x9f h ARG 123 N 0.00 0.24 -4.54 1.61 3.08 -1.95 -3.41 114.38 109.40 1x9f h ARG 123 Ca 0.00 -0.13 -0.59 0.00 0.07 0.00 0.00 59.98 59.33 1x9f h ARG 123 Cb 0.00 0.01 0.08 0.00 0.08 0.00 0.00 29.97 30.13 1x9f h ARG 123 CO 0.00 0.68 1.99 0.00 -1.07 0.00 0.00 179.97 181.57 1x9f s TYR 125 N 5.50 -0.64 -0.41 0.00 1.13 -1.26 -4.86 117.35 116.80 1x9f s TYR 125 Ca 0.57 1.11 -0.04 0.00 -1.41 0.00 0.00 57.07 57.30 1x9f s TYR 125 Cb 0.14 0.41 0.10 0.00 -1.10 0.00 0.00 41.96 41.51 1x9f s TYR 125 CO 0.17 -0.59 0.21 0.34 -2.51 0.00 0.00 175.55 173.17 1x9f s ASP 126 N -1.16 5.32 0.22 -0.18 -1.08 -1.26 -4.98 116.67 113.54 1x9f s ASP 126 Ca -0.10 -1.92 -0.07 0.00 -0.52 0.00 0.00 52.55 49.94 1x9f s ASP 126 Cb -0.00 -1.86 0.32 0.00 -1.46 0.00 0.00 42.92 39.92 1x9f s ASP 126 CO 0.09 -0.54 1.78 -0.09 0.52 0.00 0.00 175.17 176.93 1x9f h ARG 127 N 8.13 0.57 -0.43 4.34 2.43 -1.98 -2.10 114.38 125.34 1x9f h ARG 127 Ca -0.15 -0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 58.90 1x9f h ARG 127 Cb 1.05 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 30.46 1x9f h ARG 127 CO 0.71 0.38 -0.06 0.93 -1.51 0.00 0.00 179.97 180.43 1x9f h GLU 128 N 0.59 0.74 -0.11 0.20 5.08 -1.99 -0.68 114.58 118.41 1x9f h GLU 128 Ca 0.34 -0.22 -0.02 0.00 -1.00 0.00 0.00 59.36 58.46 1x9f h GLU 128 Cb 0.35 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.52 1x9f h GLU 128 CO -0.26 0.79 -0.03 0.00 -1.00 0.00 0.00 179.01 178.51 1x9f h ALA 129 N 1.25 0.15 0.06 3.43 0.00 -1.84 -2.32 119.26 119.99 1x9f h ALA 129 Ca 0.13 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.83 1x9f h ALA 129 Cb 0.50 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1x9f h ALA 129 CO 0.03 -0.11 -0.14 -1.49 0.00 0.00 0.00 179.25 177.54 1x9f h TRP 130 N -0.12 -0.35 -0.73 0.00 4.06 -1.33 -1.98 115.95 115.50 1x9f h TRP 130 Ca 0.03 0.01 0.13 0.00 2.06 0.00 0.00 58.89 61.12 1x9f h TRP 130 Cb 0.45 0.15 -0.09 0.00 -1.00 0.00 0.00 29.16 28.67 1x9f h TRP 130 CO 0.05 -0.21 0.28 0.22 -3.56 0.00 0.00 178.44 175.23 1x9f h ASP 131 N -0.26 0.26 -0.17 -3.49 3.58 -1.13 0.13 116.42 115.34 1x9f h ASP 131 Ca 0.03 0.11 -0.02 0.00 0.42 0.00 0.00 57.03 57.57 1x9f h ASP 131 Cb 0.29 0.09 -0.01 0.00 1.72 0.00 0.00 39.33 41.42 1x9f h ASP 131 CO -0.09 0.10 0.04 0.00 -2.88 0.00 0.00 179.24 176.41 1x9f h ALA 132 N 1.53 0.22 -0.16 -0.78 0.00 -1.19 -1.86 119.26 117.02 1x9f h ALA 132 Ca 0.40 -0.14 -0.18 0.00 0.00 0.00 0.00 54.91 54.99 1x9f h ALA 132 Cb 0.59 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 1x9f h ALA 132 CO -0.39 -0.15 -0.63 0.00 0.00 0.00 0.00 179.25 178.07 1x9f h ILE 134 N 0.42 1.26 -0.52 0.00 1.08 -0.82 -0.83 117.51 118.10 1x9f h ILE 134 Ca -0.01 -0.96 0.10 0.00 -0.39 0.00 0.00 64.86 63.59 1x9f h ILE 134 Cb 1.20 1.15 -0.08 0.00 -3.07 0.00 0.00 36.82 36.02 1x9f h ILE 134 CO 0.12 0.32 0.05 0.44 -0.69 0.00 0.00 178.15 178.39 1x9f h ASP 135 N 0.47 -0.11 -0.77 1.72 5.19 -1.19 0.18 116.42 121.91 1x9f h ASP 135 Ca 0.11 0.11 -0.05 0.00 -0.62 0.00 0.00 57.03 56.58 1x9f h ASP 135 Cb 0.44 0.18 -0.03 0.00 0.18 0.00 0.00 39.33 40.09 1x9f h ASP 135 CO 0.02 -0.03 0.30 -0.74 -3.12 0.00 0.00 179.24 175.67 1x9f h HIS 136 N 0.18 1.18 -0.24 4.55 2.76 -0.75 -0.56 115.15 122.27 1x9f h HIS 136 Ca 0.26 -0.09 -0.03 0.00 -2.20 0.00 0.00 60.37 58.31 1x9f h HIS 136 Cb 0.39 -0.35 -0.01 0.00 1.55 0.00 0.00 27.41 28.99 1x9f h HIS 136 CO -0.28 0.90 0.03 0.82 -1.30 0.00 0.00 177.93 178.11 1x9f h ILE 137 N 1.12 1.23 -0.57 6.26 2.04 -0.63 -3.17 117.51 123.79 1x9f h ILE 137 Ca 0.26 -0.78 -0.05 0.00 1.00 0.00 0.00 64.86 65.29 1x9f h ILE 137 Cb 0.23 1.29 -0.03 0.00 -0.74 0.00 0.00 36.82 37.57 1x9f h ILE 137 CO -0.02 0.25 0.17 -0.33 0.00 0.00 0.00 178.15 178.21 1x9f h GLU 138 N 0.20 0.86 -0.99 2.37 5.08 -0.37 -2.39 114.58 119.34 1x9f h GLU 138 Ca 0.07 -0.17 0.16 0.00 -1.00 0.00 0.00 59.36 58.42 1x9f h GLU 138 Cb 0.34 -0.14 -0.09 0.00 0.50 0.00 0.00 28.75 29.36 1x9f h GLU 138 CO 0.01 0.76 0.62 -0.44 -1.00 0.00 0.00 179.01 178.95 1x9f h ASP 139 N 0.84 0.82 1.30 1.42 3.32 -1.08 0.30 116.42 123.35 1x9f h ASP 139 Ca 0.19 0.07 -0.03 0.00 0.02 0.00 0.00 57.03 57.27 1x9f h ASP 139 Cb 0.26 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 39.72 1x9f h ASP 139 CO -0.01 0.37 -0.15 1.23 -1.72 0.00 0.00 179.24 178.97 1x9f h GLY 140 N 0.85 0.00 0.82 2.75 0.00 -1.46 0.14 103.07 106.17 1x9f h GLY 140 Ca 0.53 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 47.52 1x9f h GLY 140 CO -0.30 0.00 -1.67 -2.22 0.00 0.00 0.00 176.54 172.35 1x9f h ILE 141 N 0.00 0.96 -0.26 2.60 2.04 -1.03 -3.33 117.51 118.49 1x9f h ILE 141 Ca -0.00 -2.48 -0.15 0.00 1.00 0.00 0.00 64.86 63.23 1x9f h ILE 141 Cb 0.84 2.75 -0.01 0.00 -0.74 0.00 0.00 36.82 39.67 1x9f h ILE 141 CO 0.02 0.82 -0.43 0.11 0.00 0.00 0.00 178.15 178.67 1x9f h LYS 142 N 0.00 0.66 0.00 2.37 1.57 -0.99 -3.37 116.57 116.81 1x9f h LYS 142 Ca -0.34 -0.35 0.00 0.00 -1.87 0.00 0.00 60.65 58.09 1x9f h LYS 142 Cb 2.01 0.02 0.00 0.00 0.08 0.00 0.00 32.23 34.34 1x9f h LYS 142 CO 0.15 0.96 0.00 0.41 -0.57 0.00 0.00 179.45 180.40 1x9f n GLY 143 N 0.08 2.73 3.90 3.86 0.00 0.48 -5.00 105.19 111.24 1x9f n GLY 143 Ca -0.02 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.71 1x9f n GLY 143 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1x9f s HIS 144 N -2.97 3.56 -1.11 1.61 4.02 -1.23 -5.00 115.29 114.17 1x9f s HIS 144 Ca 0.00 0.96 0.00 0.00 1.02 0.00 0.00 55.06 57.04 1x9f s HIS 144 Cb 0.00 -2.47 0.00 0.00 -1.02 0.00 0.00 32.58 29.09 1x9f s HIS 144 CO 0.00 -0.46 0.28 0.72 1.02 0.00 0.00 174.74 176.30