#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2eku s LEU 2 N 0.00 4.32 0.79 7.52 1.02 -1.26 -5.06 118.68 126.00 2eku s LEU 2 Ca 0.00 1.72 -0.12 0.00 0.02 0.00 0.00 54.13 55.75 2eku s LEU 2 Cb 0.00 -3.93 0.06 0.00 0.02 0.00 0.00 46.19 42.34 2eku s LEU 2 CO 0.00 -0.06 1.13 -0.94 0.02 0.00 0.00 176.35 176.50 2eku s SER 3 N -1.66 4.68 0.25 2.29 1.04 -1.26 -4.86 113.70 114.17 2eku s SER 3 Ca 0.49 1.05 -0.05 0.00 0.48 0.00 0.00 55.95 57.93 2eku s SER 3 Cb -0.18 -1.72 0.33 0.00 0.10 0.00 0.00 66.02 64.55 2eku s SER 3 CO 0.22 -1.82 1.89 -0.08 0.98 0.00 0.00 173.24 174.43 2eku h GLU 4 N -0.99 1.17 -0.84 4.02 4.57 -1.99 -0.54 114.58 119.97 2eku h GLU 4 Ca -0.47 -0.07 0.07 0.00 -1.18 0.00 0.00 59.36 57.71 2eku h GLU 4 Cb 1.29 -0.26 -0.06 0.00 -0.16 0.00 0.00 28.75 29.55 2eku h GLU 4 CO 0.63 0.77 0.51 0.78 -1.18 0.00 0.00 179.01 180.52 2eku h GLY 5 N 1.20 1.26 0.95 1.92 0.00 -2.00 -0.34 103.07 106.07 2eku h GLY 5 Ca 0.39 -0.37 -0.09 0.00 0.00 0.00 0.00 47.33 47.26 2eku h GLY 5 CO -0.14 0.24 -0.16 0.83 0.00 0.00 0.00 176.54 177.31 2eku h GLU 6 N 0.93 0.70 -0.86 4.80 5.08 -1.73 -2.35 114.58 121.14 2eku h GLU 6 Ca 0.37 -0.30 -0.03 0.00 -1.00 0.00 0.00 59.36 58.40 2eku h GLU 6 Cb 0.19 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.38 2eku h GLU 6 CO -0.18 0.90 0.43 -1.49 -1.00 0.00 0.00 179.01 177.68 2eku h TRP 7 N 0.47 1.22 -0.86 4.33 4.06 -0.67 -1.33 115.95 123.17 2eku h TRP 7 Ca 0.07 -0.05 -0.02 0.00 2.06 0.00 0.00 58.89 60.96 2eku h TRP 7 Cb 0.69 -0.38 -0.04 0.00 -1.00 0.00 0.00 29.16 28.43 2eku h TRP 7 CO 0.06 0.87 0.46 0.37 -3.56 0.00 0.00 178.44 176.64 2eku h GLN 8 N 1.22 1.20 -0.48 0.49 4.15 -0.92 0.34 115.11 121.12 2eku h GLN 8 Ca 0.30 -0.14 -0.02 0.00 0.77 0.00 0.00 58.65 59.56 2eku h GLN 8 Cb 0.09 -0.23 -0.02 0.00 0.21 0.00 0.00 27.48 27.52 2eku h GLN 8 CO -0.04 0.88 0.23 -0.07 -1.93 0.00 0.00 178.83 177.90 2eku h LEU 9 N 1.20 0.63 -0.15 -2.39 3.38 -0.88 0.01 115.31 117.12 2eku h LEU 9 Ca 0.30 -0.13 0.01 0.00 0.09 0.00 0.00 57.88 58.15 2eku h LEU 9 Cb 0.04 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 2eku h LEU 9 CO -0.05 0.58 0.09 0.58 0.09 0.00 0.00 178.44 179.73 2eku h VAL 10 N 0.63 1.02 0.00 1.22 2.07 -0.75 -2.71 116.25 117.73 2eku h VAL 10 Ca 0.16 -0.06 -0.09 0.00 0.82 0.00 0.00 66.70 67.53 2eku h VAL 10 Cb 0.12 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 30.69 2eku h VAL 10 CO -0.02 0.03 -0.43 -0.07 0.02 0.00 0.00 177.57 177.11 2eku h LEU 11 N 0.19 0.00 -0.25 2.57 3.38 -0.86 -0.70 115.31 119.64 2eku h LEU 11 Ca 0.06 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.98 2eku h LEU 11 Cb -0.01 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 2eku h LEU 11 CO -0.03 0.43 -0.04 -0.74 0.09 0.00 0.00 178.44 178.15 2eku h HIS 12 N 0.00 0.52 -0.01 1.13 2.76 -0.91 -0.56 115.15 118.09 2eku h HIS 12 Ca -0.00 -0.11 -0.14 0.00 -2.20 0.00 0.00 60.37 57.92 2eku h HIS 12 Cb 1.21 -0.13 -0.02 0.00 1.55 0.00 0.00 27.41 30.02 2eku h HIS 12 CO 0.00 0.67 -0.66 -0.24 -1.30 0.00 0.00 177.93 176.40 2eku h VAL 13 N 0.23 1.46 -0.52 5.26 3.04 -1.40 -3.16 116.25 121.16 2eku h VAL 13 Ca 0.07 -2.24 -0.07 0.00 -1.01 0.00 0.00 66.70 63.44 2eku h VAL 13 Cb 0.49 2.20 -0.02 0.00 -2.01 0.00 0.00 31.29 31.95 2eku h VAL 13 CO 0.02 0.64 0.05 -0.25 -1.01 0.00 0.00 177.57 177.02 2eku h TRP 14 N 0.03 0.89 0.00 3.17 2.91 -0.91 -1.96 115.95 120.08 2eku h TRP 14 Ca -0.01 -0.11 -0.01 0.00 1.13 0.00 0.00 58.89 59.89 2eku h TRP 14 Cb 1.18 -0.25 -0.00 0.00 -0.51 0.00 0.00 29.16 29.58 2eku h TRP 14 CO 0.00 0.79 -0.05 0.00 -1.03 0.00 0.00 178.44 178.16 2eku h ALA 15 N 1.25 1.77 -0.18 2.65 0.00 -1.07 -0.83 119.26 122.86 2eku h ALA 15 Ca 0.16 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.91 2eku h ALA 15 Cb 0.41 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2eku h ALA 15 CO 0.01 0.06 -0.33 0.87 0.00 0.00 0.00 179.25 179.86 2eku h LYS 16 N 0.00 0.54 -1.01 0.00 1.79 -1.42 -3.12 116.57 113.34 2eku h LYS 16 Ca -0.00 -0.34 0.23 0.00 -2.18 0.00 0.00 60.65 58.36 2eku h LYS 16 Cb 0.10 0.04 -0.11 0.00 -1.58 0.00 0.00 32.23 30.68 2eku h LYS 16 CO 0.01 0.95 0.61 0.28 -1.08 0.00 0.00 179.45 180.22 2eku h VAL 17 N 0.19 0.58 0.00 0.50 2.07 -0.45 -0.37 116.25 118.77 2eku h VAL 17 Ca 0.01 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.32 2eku h VAL 17 Cb 0.93 -0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.63 2eku h VAL 17 CO 0.07 0.11 0.00 -0.62 0.02 0.00 0.00 177.57 177.15 2eku n GLU 18 N -4.80 0.17 0.18 1.57 1.02 -0.74 -1.28 120.64 116.76 2eku n GLU 18 Ca 0.26 0.15 0.14 0.00 -0.02 0.00 0.00 57.16 57.69 2eku n GLU 18 Cb 0.72 -1.50 0.48 0.00 -0.02 0.00 0.00 31.44 31.12 2eku n GLU 18 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2eku h ALA 19 N 2.72 1.00 -0.38 0.62 0.00 -1.11 -3.37 119.26 118.74 2eku h ALA 19 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.63 2eku h ALA 19 Cb 0.19 0.00 -0.19 0.00 0.00 0.00 0.00 17.79 17.79 2eku h ALA 19 CO 0.00 0.00 -0.60 -3.47 0.00 0.00 0.00 179.25 175.18 2eku n ASP 20 N -2.63 -2.13 -0.20 0.00 2.03 -0.41 -5.00 116.55 108.22 2eku n ASP 20 Ca 0.03 -3.32 -0.04 0.00 0.52 0.00 0.00 54.79 51.98 2eku n ASP 20 Cb 0.35 1.40 0.07 0.00 -0.72 0.00 0.00 41.12 42.21 2eku n ASP 20 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 2eku h VAL 21 N 2.75 0.99 -0.37 5.18 2.07 -1.69 -1.78 116.25 123.39 2eku h VAL 21 Ca -0.09 -0.21 -0.15 0.00 0.82 0.00 0.00 66.70 67.07 2eku h VAL 21 Cb 1.03 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 2eku h VAL 21 CO 0.30 0.11 -0.36 0.00 0.02 0.00 0.00 177.57 177.64 2eku h ALA 22 N 1.29 0.65 -0.30 1.67 0.00 -1.90 0.62 119.26 121.28 2eku h ALA 22 Ca 0.25 -0.44 -0.14 0.00 0.00 0.00 0.00 54.91 54.58 2eku h ALA 22 Cb 0.12 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2eku h ALA 22 CO -0.15 0.67 -0.38 0.78 0.00 0.00 0.00 179.25 180.17 2eku h GLY 23 N 0.84 0.77 0.99 0.00 0.00 -1.92 -0.72 103.07 103.04 2eku h GLY 23 Ca 0.07 -0.77 -0.05 0.00 0.00 0.00 0.00 47.33 46.57 2eku h GLY 23 CO 0.09 0.69 0.13 0.45 0.00 0.00 0.00 176.54 177.91 2eku h HIS 24 N 0.58 0.91 -0.62 5.60 3.86 -1.09 -1.84 115.15 122.55 2eku h HIS 24 Ca 0.05 -0.11 -0.06 0.00 -1.16 0.00 0.00 60.37 59.10 2eku h HIS 24 Cb 0.92 -0.26 -0.03 0.00 1.06 0.00 0.00 27.41 29.10 2eku h HIS 24 CO 0.05 0.79 0.16 0.78 0.86 0.00 0.00 177.93 180.57 2eku h GLY 25 N 0.77 1.04 0.95 2.45 0.00 -0.62 0.45 103.07 108.11 2eku h GLY 25 Ca 0.17 -0.62 -0.00 0.00 0.00 0.00 0.00 47.33 46.88 2eku h GLY 25 CO 0.00 0.58 0.03 1.46 0.00 0.00 0.00 176.54 178.61 2eku h GLN 26 N 0.93 0.07 -0.71 4.80 4.20 -1.03 -1.45 115.11 121.91 2eku h GLN 26 Ca 0.20 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.89 2eku h GLN 26 Cb 0.32 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.05 2eku h GLN 26 CO -0.00 0.10 0.40 -0.44 -0.67 0.00 0.00 178.83 178.21 2eku h ASP 27 N 0.02 0.89 -0.16 1.46 3.32 -1.03 -0.35 116.42 120.56 2eku h ASP 27 Ca 0.02 -0.09 -0.03 0.00 0.02 0.00 0.00 57.03 56.95 2eku h ASP 27 Cb 0.05 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.37 2eku h ASP 27 CO -0.00 0.72 -0.01 0.40 -1.72 0.00 0.00 179.24 178.63 2eku h ILE 28 N 0.98 1.26 -0.49 0.35 2.04 -0.81 -0.77 117.51 120.06 2eku h ILE 28 Ca 0.25 -0.87 -0.11 0.00 1.00 0.00 0.00 64.86 65.13 2eku h ILE 28 Cb 0.03 1.52 -0.02 0.00 -0.74 0.00 0.00 36.82 37.61 2eku h ILE 28 CO -0.04 0.26 -0.14 -0.07 0.00 0.00 0.00 178.15 178.16 2eku h LEU 29 N 0.03 0.95 -0.61 1.44 3.38 -1.17 -0.61 115.31 118.71 2eku h LEU 29 Ca 0.05 -0.32 -0.05 0.00 0.09 0.00 0.00 57.88 57.65 2eku h LEU 29 Cb 0.39 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 2eku h LEU 29 CO 0.01 1.08 0.20 0.40 0.09 0.00 0.00 178.44 180.22 2eku h ILE 30 N 0.83 1.24 -0.41 1.22 2.04 -1.03 0.11 117.51 121.52 2eku h ILE 30 Ca 0.13 -0.82 0.03 0.00 1.00 0.00 0.00 64.86 65.20 2eku h ILE 30 Cb 0.68 0.62 -0.04 0.00 -0.74 0.00 0.00 36.82 37.35 2eku h ILE 30 CO 0.05 0.31 0.20 -0.09 0.00 0.00 0.00 178.15 178.62 2eku h ARG 31 N 0.88 0.39 -0.24 2.37 9.65 -0.91 -0.40 114.38 126.12 2eku h ARG 31 Ca 0.20 -0.02 -0.00 0.00 -1.10 0.00 0.00 59.98 59.06 2eku h ARG 31 Cb 0.28 -0.09 -0.01 0.00 -1.39 0.00 0.00 29.97 28.76 2eku h ARG 31 CO -0.01 0.26 0.15 1.25 2.80 0.00 0.00 179.97 184.42 2eku h LEU 32 N 0.40 0.28 -0.69 3.80 5.85 -0.66 0.73 115.31 125.04 2eku h LEU 32 Ca 0.18 -0.04 -0.12 0.00 0.84 0.00 0.00 57.88 58.74 2eku h LEU 32 Cb 0.09 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 2eku h LEU 32 CO -0.13 0.24 -0.28 -0.26 -0.34 0.00 0.00 178.44 177.66 2eku h PHE 33 N 0.31 0.81 -0.08 1.25 0.04 -0.47 -0.53 116.94 118.26 2eku h PHE 33 Ca 0.09 -0.20 -0.18 0.00 2.80 0.00 0.00 57.97 60.48 2eku h PHE 33 Cb -0.00 -0.19 0.01 0.00 2.20 0.00 0.00 35.95 37.97 2eku h PHE 33 CO -0.05 0.91 -0.64 0.87 -0.60 0.00 0.00 178.31 178.80 2eku h LYS 34 N 0.60 0.57 0.00 1.51 1.79 -0.98 -3.05 116.57 117.01 2eku h LYS 34 Ca 0.07 -0.51 -0.08 0.00 -2.18 0.00 0.00 60.65 57.96 2eku h LYS 34 Cb 0.79 0.12 -0.01 0.00 -1.58 0.00 0.00 32.23 31.55 2eku h LYS 34 CO 0.06 1.13 -0.38 0.77 -1.08 0.00 0.00 179.45 179.96 2eku h SER 35 N 0.18 0.00 -2.30 0.86 0.02 -0.82 -3.39 113.55 108.11 2eku h SER 35 Ca -0.06 0.00 -0.58 0.00 -0.84 0.00 0.00 61.79 60.31 2eku h SER 35 Cb 1.29 0.00 -0.38 0.00 0.14 0.00 0.00 62.40 63.45 2eku h SER 35 CO 0.13 0.38 -1.00 1.41 -1.14 0.00 0.00 176.83 176.61 2eku n HIS 36 N -3.36 -0.86 0.29 3.45 8.25 -0.21 -5.00 115.22 117.77 2eku n HIS 36 Ca 0.01 -3.34 0.19 0.00 -0.26 0.00 0.00 57.72 54.32 2eku n HIS 36 Cb 0.58 0.17 0.98 0.00 1.12 0.00 0.00 29.99 32.84 2eku n HIS 36 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 2eku h PRO 37 N 5.36 0.00 0.00 -0.41 0.11 -1.74 -0.22 132.00 135.10 2eku h PRO 37 Ca 0.24 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.34 2eku h PRO 37 Cb 0.91 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.01 2eku h PRO 37 CO 0.38 0.00 -0.03 1.05 -0.21 0.00 0.00 178.00 179.20 2eku h GLU 38 N 0.00 0.00 -0.13 1.05 9.09 -1.93 -2.44 114.58 120.23 2eku h GLU 38 Ca 0.03 0.00 -0.22 0.00 0.05 0.00 0.00 59.36 59.22 2eku h GLU 38 Cb 0.26 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 27.37 2eku h GLU 38 CO -0.00 0.03 -0.79 1.79 0.05 0.00 0.00 179.01 180.09 2eku h THR 39 N 0.00 1.30 -0.93 -1.06 1.35 -1.35 -3.16 112.91 109.06 2eku h THR 39 Ca -0.00 -2.04 -0.01 0.00 -0.55 0.00 0.00 66.41 63.81 2eku h THR 39 Cb 0.13 2.04 -0.04 0.00 -1.73 0.00 0.00 68.15 68.55 2eku h THR 39 CO 0.00 0.64 0.54 0.25 -0.25 0.00 0.00 175.52 176.70 2eku h LEU 40 N 0.47 1.14 -2.58 3.87 5.85 -1.57 -2.22 115.31 120.27 2eku h LEU 40 Ca -0.05 -0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.58 2eku h LEU 40 Cb 1.41 -0.29 -0.00 0.00 0.37 0.00 0.00 40.66 42.15 2eku h LEU 40 CO 0.16 0.89 -0.01 -0.08 -0.34 0.00 0.00 178.44 179.06 2eku h GLU 41 N 1.29 0.00 0.00 1.25 4.57 -1.50 -1.26 114.58 118.93 2eku h GLU 41 Ca 0.33 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.51 2eku h GLU 41 Cb -0.02 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.57 2eku h GLU 41 CO -0.06 0.01 0.00 0.87 -1.18 0.00 0.00 179.01 178.65 2eku h LYS 42 N 0.00 0.00 -4.07 1.92 1.79 -1.46 -3.40 116.57 111.35 2eku h LYS 42 Ca -0.00 0.00 -0.75 0.00 -2.18 0.00 0.00 60.65 57.72 2eku h LYS 42 Cb 0.13 0.00 -0.28 0.00 -1.58 0.00 0.00 32.23 30.50 2eku h LYS 42 CO 0.00 0.00 -0.24 -0.06 -1.08 0.00 0.00 179.45 178.07 2eku s PHE 43 N -3.40 3.44 0.53 -1.35 0.40 -0.48 -4.90 117.98 112.24 2eku s PHE 43 Ca 0.04 -1.82 0.32 0.00 -0.60 0.00 0.00 56.93 54.86 2eku s PHE 43 Cb 0.09 -3.62 1.48 0.00 0.51 0.00 0.00 43.02 41.48 2eku s PHE 43 CO 0.43 -0.99 1.88 -0.44 0.70 0.00 0.00 175.22 176.81 2eku h ASP 44 N 8.29 0.01 0.42 1.36 3.32 -1.83 -0.16 116.42 127.84 2eku h ASP 44 Ca -0.15 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.83 2eku h ASP 44 Cb 1.06 -0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.60 2eku h ASP 44 CO 0.87 0.00 -0.31 -0.09 -1.72 0.00 0.00 179.24 177.99 2eku h ARG 45 N 0.01 0.00 0.00 3.56 2.43 -1.93 -3.34 114.38 115.12 2eku h ARG 45 Ca 0.44 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.61 2eku h ARG 45 Cb 1.75 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.30 2eku h ARG 45 CO -0.01 0.31 0.00 1.19 -1.51 0.00 0.00 179.97 179.95 2eku n PHE 46 N -3.96 0.00 0.72 2.20 3.72 -0.55 -4.76 117.46 114.83 2eku n PHE 46 Ca -0.02 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.47 2eku n PHE 46 Cb 0.38 0.00 0.42 0.00 -0.94 0.00 0.00 39.48 39.33 2eku n PHE 46 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 176.76 177.07 2eku n LYS 47 N -0.46 0.10 0.12 -1.08 2.85 -0.18 -1.41 118.16 118.11 2eku n LYS 47 Ca 0.00 0.16 0.12 0.00 -1.05 0.00 0.00 58.31 57.54 2eku n LYS 47 Cb 0.02 -1.50 0.45 0.00 -0.65 0.00 0.00 35.03 33.35 2eku n LYS 47 CO 0.00 0.00 0.00 -2.39 -0.05 0.00 0.00 177.40 174.96 2eku n HIS 48 N -1.41 0.88 -2.50 5.58 1.44 -1.26 -4.78 115.22 113.16 2eku n HIS 48 Ca 0.06 0.30 -0.42 0.00 -2.01 0.00 0.00 57.72 55.65 2eku n HIS 48 Cb 0.19 -0.99 -0.03 0.00 0.12 0.00 0.00 29.99 29.28 2eku n HIS 48 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 2eku s LEU 49 N -4.52 4.35 0.00 2.39 1.43 -0.50 -4.91 118.68 116.93 2eku s LEU 49 Ca 0.07 1.89 0.00 0.00 -1.03 0.00 0.00 54.13 55.06 2eku s LEU 49 Cb 0.11 -3.57 0.00 0.00 0.03 0.00 0.00 46.19 42.75 2eku s LEU 49 CO 0.49 -0.44 0.00 0.29 0.23 0.00 0.00 176.35 176.92 2eku n LYS 50 N 4.13 1.85 -4.38 1.70 4.76 -1.26 -5.01 118.16 119.94 2eku n LYS 50 Ca 0.09 0.00 -0.20 0.00 -2.87 0.00 0.00 58.31 55.33 2eku n LYS 50 Cb 0.47 -0.87 -0.10 0.00 -1.84 0.00 0.00 35.03 32.70 2eku n LYS 50 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 2eku s THR 51 N -1.73 1.77 0.20 -0.18 -4.23 -1.26 -5.03 115.64 105.17 2eku s THR 51 Ca 0.00 -2.20 -0.11 0.00 -1.18 0.00 0.00 61.69 58.20 2eku s THR 51 Cb 0.00 -2.20 0.13 0.00 1.34 0.00 0.00 72.50 71.77 2eku s THR 51 CO 0.00 -0.48 1.83 -0.08 -0.54 0.00 0.00 174.62 175.35 2eku h GLU 52 N 2.44 0.97 -0.98 3.99 4.81 -1.99 -1.52 114.58 122.29 2eku h GLU 52 Ca -0.39 -0.10 0.03 0.00 -0.13 0.00 0.00 59.36 58.77 2eku h GLU 52 Cb 1.23 -0.20 -0.05 0.00 0.63 0.00 0.00 28.75 30.36 2eku h GLU 52 CO 0.64 0.70 0.64 0.00 -0.73 0.00 0.00 179.01 180.26 2eku h ALA 53 N 1.21 1.28 -0.56 2.92 0.00 -1.99 0.64 119.26 122.76 2eku h ALA 53 Ca 0.25 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.05 2eku h ALA 53 Cb -0.00 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.40 2eku h ALA 53 CO -0.04 0.56 0.12 0.93 0.00 0.00 0.00 179.25 180.82 2eku h GLU 54 N 1.26 0.91 -0.56 0.00 5.08 -1.86 -0.94 114.58 118.47 2eku h GLU 54 Ca 0.38 -0.23 0.02 0.00 -1.00 0.00 0.00 59.36 58.54 2eku h GLU 54 Cb -0.04 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.06 2eku h GLU 54 CO -0.11 0.86 0.34 0.52 -1.00 0.00 0.00 179.01 179.62 2eku h MET 55 N 0.81 0.66 0.00 2.33 2.86 -0.66 -2.25 114.93 118.69 2eku h MET 55 Ca 0.17 -0.04 -0.03 0.00 -2.06 0.00 0.00 59.70 57.74 2eku h MET 55 Cb 0.37 -0.15 -0.00 0.00 0.06 0.00 0.00 31.60 31.87 2eku h MET 55 CO 0.00 0.44 -0.16 0.87 1.06 0.00 0.00 176.91 179.13 2eku h LYS 56 N 0.68 0.00 -0.00 1.72 1.57 -0.49 -2.41 116.57 117.64 2eku h LYS 56 Ca 0.22 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 2eku h LYS 56 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 2eku h LYS 56 CO -0.09 0.16 -0.26 0.00 -0.57 0.00 0.00 179.45 178.69 2eku n ALA 57 N -2.30 3.03 -2.60 3.86 0.00 -0.39 -4.84 120.51 117.27 2eku n ALA 57 Ca -0.02 -0.29 -0.43 0.00 0.00 0.00 0.00 53.44 52.71 2eku n ALA 57 Cb 0.28 -1.25 -0.03 0.00 0.00 0.00 0.00 19.45 18.45 2eku n ALA 57 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2eku s SER 58 N -2.77 6.69 0.30 0.00 0.15 -0.91 -4.91 113.70 112.25 2eku s SER 58 Ca 0.19 0.58 0.05 0.00 0.70 0.00 0.00 55.95 57.46 2eku s SER 58 Cb 0.19 -2.49 0.47 0.00 -1.71 0.00 0.00 66.02 62.47 2eku s SER 58 CO 0.58 -0.97 1.73 -0.08 1.20 0.00 0.00 173.24 175.70 2eku h GLU 59 N 8.65 0.35 -0.33 5.44 4.57 -1.88 -2.60 114.58 128.78 2eku h GLU 59 Ca -0.23 -0.14 -0.08 0.00 -1.18 0.00 0.00 59.36 57.73 2eku h GLU 59 Cb 1.07 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.63 2eku h GLU 59 CO 1.03 0.63 -0.13 0.22 -1.18 0.00 0.00 179.01 179.58 2eku h ASP 60 N 0.31 0.55 -0.38 1.04 3.58 -1.97 0.10 116.42 119.66 2eku h ASP 60 Ca 0.04 -0.15 -0.04 0.00 0.42 0.00 0.00 57.03 57.30 2eku h ASP 60 Cb 0.70 -0.15 -0.02 0.00 1.72 0.00 0.00 39.33 41.58 2eku h ASP 60 CO 0.05 0.71 0.09 0.25 -2.88 0.00 0.00 179.24 177.47 2eku h LEU 61 N 0.52 0.57 -0.81 2.28 5.85 -1.83 -1.19 115.31 120.70 2eku h LEU 61 Ca 0.09 -0.23 0.04 0.00 0.84 0.00 0.00 57.88 58.62 2eku h LEU 61 Cb 0.53 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 41.36 2eku h LEU 61 CO 0.03 0.65 0.52 0.50 -0.34 0.00 0.00 178.44 179.80 2eku h LYS 62 N 0.46 0.97 -0.12 1.25 3.64 -1.10 0.22 116.57 121.89 2eku h LYS 62 Ca 0.12 -0.06 0.02 0.00 -1.27 0.00 0.00 60.65 59.46 2eku h LYS 62 Cb 0.31 -0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 31.89 2eku h LYS 62 CO 0.00 0.64 0.01 -0.22 -2.27 0.00 0.00 179.45 177.61 2eku h LYS 63 N 0.99 0.06 -0.15 1.90 3.64 -0.62 -2.27 116.57 120.12 2eku h LYS 63 Ca 0.33 -0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.62 2eku h LYS 63 Cb 0.04 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 2eku h LYS 63 CO -0.12 0.04 -0.31 1.25 -2.27 0.00 0.00 179.45 178.03 2eku h HIS 64 N 0.06 0.33 -0.82 1.91 2.76 -0.74 -2.37 115.15 116.28 2eku h HIS 64 Ca 0.05 -0.07 0.05 0.00 -2.20 0.00 0.00 60.37 58.20 2eku h HIS 64 Cb 0.05 -0.08 -0.06 0.00 1.55 0.00 0.00 27.41 28.87 2eku h HIS 64 CO -0.12 0.57 0.50 0.78 -1.30 0.00 0.00 177.93 178.37 2eku h GLY 65 N 1.07 1.21 0.96 5.26 0.00 -0.51 -0.15 103.07 110.91 2eku h GLY 65 Ca 0.03 -0.37 -0.03 0.00 0.00 0.00 0.00 47.33 46.97 2eku h GLY 65 CO 0.05 0.27 0.18 -2.08 0.00 0.00 0.00 176.54 174.95 2eku h VAL 66 N 0.94 1.21 -0.55 4.60 2.07 -1.04 -1.36 116.25 122.12 2eku h VAL 66 Ca 0.35 -0.64 0.09 0.00 0.82 0.00 0.00 66.70 67.32 2eku h VAL 66 Cb 0.13 0.79 -0.07 0.00 -1.52 0.00 0.00 31.29 30.61 2eku h VAL 66 CO -0.16 0.24 0.14 0.74 0.02 0.00 0.00 177.57 178.55 2eku h THR 67 N 0.58 0.72 0.07 2.57 2.02 -0.85 0.11 112.91 118.13 2eku h THR 67 Ca 0.15 -0.10 -0.00 0.00 0.77 0.00 0.00 66.41 67.23 2eku h THR 67 Cb 0.20 0.41 0.00 0.00 -1.74 0.00 0.00 68.15 67.02 2eku h THR 67 CO -0.01 0.05 -0.03 0.58 0.37 0.00 0.00 175.52 176.48 2eku h VAL 68 N 0.28 1.10 0.00 3.16 2.07 -0.86 -2.03 116.25 119.97 2eku h VAL 68 Ca 0.28 -0.60 -0.12 0.00 0.82 0.00 0.00 66.70 67.07 2eku h VAL 68 Cb 0.37 1.49 -0.02 0.00 -1.52 0.00 0.00 31.29 31.62 2eku h VAL 68 CO -0.34 0.15 -0.59 -0.07 0.02 0.00 0.00 177.57 176.74 2eku h LEU 69 N -0.36 0.00 -0.77 2.57 3.38 -1.12 -1.00 115.31 118.00 2eku h LEU 69 Ca -0.01 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 2eku h LEU 69 Cb 0.32 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.03 2eku h LEU 69 CO 0.02 0.59 0.46 0.74 0.09 0.00 0.00 178.44 180.34 2eku h THR 70 N 0.00 1.22 -0.26 0.22 2.02 -0.72 0.64 112.91 116.03 2eku h THR 70 Ca -0.01 -0.50 -0.04 0.00 0.77 0.00 0.00 66.41 66.63 2eku h THR 70 Cb 1.06 0.15 -0.01 0.00 -1.74 0.00 0.00 68.15 67.62 2eku h THR 70 CO 0.08 0.23 -0.01 0.00 0.37 0.00 0.00 175.52 176.19 2eku h ALA 71 N 1.24 0.35 -0.78 6.16 0.00 -0.84 -1.98 119.26 123.42 2eku h ALA 71 Ca 0.28 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 2eku h ALA 71 Cb -0.02 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 2eku h ALA 71 CO -0.05 0.10 0.34 1.25 0.00 0.00 0.00 179.25 180.88 2eku h LEU 72 N 0.24 1.05 -0.95 0.00 5.85 -1.00 -2.03 115.31 118.48 2eku h LEU 72 Ca 0.07 -0.16 0.03 0.00 0.84 0.00 0.00 57.88 58.67 2eku h LEU 72 Cb 0.44 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 41.14 2eku h LEU 72 CO 0.02 0.92 0.62 1.23 -0.34 0.00 0.00 178.44 180.88 2eku h GLY 73 N 1.12 1.37 1.73 3.75 0.00 -0.75 -0.41 103.07 109.88 2eku h GLY 73 Ca 0.26 -0.47 -0.08 0.00 0.00 0.00 0.00 47.33 47.04 2eku h GLY 73 CO -0.03 0.41 -0.22 0.00 0.00 0.00 0.00 176.54 176.71 2eku h ALA 74 N 1.38 1.29 -0.02 3.60 0.00 -0.91 -1.40 119.26 123.20 2eku h ALA 74 Ca 0.37 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 2eku h ALA 74 Cb -0.02 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 2eku h ALA 74 CO -0.11 0.47 -0.01 0.82 0.00 0.00 0.00 179.25 180.42 2eku h ILE 75 N 0.29 1.33 -0.52 0.00 2.04 -0.79 -3.20 117.51 116.66 2eku h ILE 75 Ca 0.05 -1.00 -0.04 0.00 1.00 0.00 0.00 64.86 64.87 2eku h ILE 75 Cb 0.56 1.97 -0.02 0.00 -0.74 0.00 0.00 36.82 38.58 2eku h ILE 75 CO 0.04 0.26 0.16 -0.07 0.00 0.00 0.00 178.15 178.55 2eku h LEU 76 N -0.37 0.70 -0.51 1.44 3.38 -0.83 -1.56 115.31 117.56 2eku h LEU 76 Ca 0.00 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.87 2eku h LEU 76 Cb 0.44 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.00 2eku h LEU 76 CO 0.00 0.66 0.00 0.29 0.09 0.00 0.00 178.44 179.49 2eku n LYS 77 N -4.31 0.14 0.03 1.13 5.02 -0.55 -1.12 118.16 118.50 2eku n LYS 77 Ca 0.04 0.38 0.13 0.00 -2.02 0.00 0.00 58.31 56.83 2eku n LYS 77 Cb 0.19 -1.77 0.52 0.00 -0.02 0.00 0.00 35.03 33.95 2eku n LYS 77 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2eku n LYS 78 N -2.04 0.06 -3.83 1.97 4.76 -0.59 -4.94 118.16 113.55 2eku n LYS 78 Ca 0.02 0.10 -0.25 0.00 -2.87 0.00 0.00 58.31 55.32 2eku n LYS 78 Cb 0.21 -1.58 0.01 0.00 -1.84 0.00 0.00 35.03 31.84 2eku n LYS 78 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2eku n LYS 79 N -1.68 -4.46 0.00 1.97 5.02 -0.27 -1.68 118.16 117.05 2eku n LYS 79 Ca 0.06 0.54 0.00 0.00 -2.02 0.00 0.00 58.31 56.89 2eku n LYS 79 Cb 0.32 -5.03 0.00 0.00 -0.02 0.00 0.00 35.03 30.30 2eku n LYS 79 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2eku n GLY 80 N -1.70 3.23 2.43 0.72 0.00 -1.26 -4.93 105.19 103.67 2eku n GLY 80 Ca -0.23 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.42 2eku n GLY 80 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2eku n HIS 81 N -1.26 2.32 -1.06 1.61 8.25 -0.68 -4.61 115.22 119.79 2eku n HIS 81 Ca 0.00 -2.70 0.08 0.00 -0.26 0.00 0.00 57.72 54.84 2eku n HIS 81 Cb 0.00 -1.88 0.23 0.00 1.12 0.00 0.00 29.99 29.46 2eku n HIS 81 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2eku n HIS 82 N 1.96 0.79 -0.29 4.41 1.44 -1.26 -4.77 115.22 117.50 2eku n HIS 82 Ca 0.63 -0.97 0.06 0.00 -2.01 0.00 0.00 57.72 55.42 2eku n HIS 82 Cb 0.31 -0.30 0.21 0.00 0.12 0.00 0.00 29.99 30.33 2eku n HIS 82 CO 0.00 0.00 0.00 1.49 -2.81 0.00 0.00 176.34 175.02 2eku h GLU 83 N 1.40 0.63 0.00 -1.40 4.57 -2.00 -0.22 114.58 117.57 2eku h GLU 83 Ca 0.02 -0.04 -0.13 0.00 -1.18 0.00 0.00 59.36 58.03 2eku h GLU 83 Cb 1.39 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 29.82 2eku h GLU 83 CO 0.20 0.42 -0.62 0.00 -1.18 0.00 0.00 179.01 177.83 2eku h ALA 84 N 1.53 0.86 -0.09 2.92 0.00 -2.00 -2.03 119.26 120.44 2eku h ALA 84 Ca 0.44 -0.56 -0.19 0.00 0.00 0.00 0.00 54.91 54.60 2eku h ALA 84 Cb 0.57 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 2eku h ALA 84 CO -0.33 0.77 -0.73 0.93 0.00 0.00 0.00 179.25 179.88 2eku h GLU 85 N 0.00 0.45 0.00 0.00 3.07 -1.60 -3.29 114.58 113.21 2eku h GLU 85 Ca -0.01 -0.36 -0.15 0.00 -0.50 0.00 0.00 59.36 58.34 2eku h GLU 85 Cb 1.18 0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 29.14 2eku h GLU 85 CO 0.08 1.00 -0.71 -0.07 -1.40 0.00 0.00 179.01 177.91 2eku h LEU 86 N 0.30 0.00 0.01 1.33 3.38 -0.87 -3.37 115.31 116.10 2eku h LEU 86 Ca -0.03 0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.97 2eku h LEU 86 Cb 1.31 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 42.01 2eku h LEU 86 CO 0.13 0.71 -0.37 0.50 0.09 0.00 0.00 178.44 179.50 2eku h LYS 87 N 0.00 -0.51 0.00 1.13 3.64 -1.44 0.09 116.57 119.48 2eku h LYS 87 Ca -0.01 0.04 -0.06 0.00 -1.27 0.00 0.00 60.65 59.35 2eku h LYS 87 Cb 1.43 0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 33.36 2eku h LYS 87 CO 0.09 -0.34 -0.28 -1.00 -2.27 0.00 0.00 179.45 175.65 2eku h PRO 88 N -0.53 0.00 -0.05 1.90 0.13 -1.77 -1.44 132.00 130.24 2eku h PRO 88 Ca 0.05 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.16 2eku h PRO 88 Cb 0.61 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.74 2eku h PRO 88 CO -0.29 0.28 -0.04 1.25 -0.23 0.00 0.00 178.00 178.97 2eku h LEU 89 N 0.00 0.12 -0.27 1.56 5.85 -1.56 -0.83 115.31 120.18 2eku h LEU 89 Ca -0.00 -0.47 0.03 0.00 0.84 0.00 0.00 57.88 58.28 2eku h LEU 89 Cb 0.51 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.47 2eku h LEU 89 CO 0.04 0.57 0.09 0.00 -0.34 0.00 0.00 178.44 178.79 2eku h ALA 90 N 0.56 0.30 -0.31 1.25 0.00 -0.92 -0.01 119.26 120.14 2eku h ALA 90 Ca 0.01 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2eku h ALA 90 Cb 0.53 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 2eku h ALA 90 CO 0.01 -0.32 0.20 1.96 0.00 0.00 0.00 179.25 181.11 2eku h GLN 91 N 0.21 0.41 -0.31 0.00 1.08 -1.19 -0.69 115.11 114.62 2eku h GLN 91 Ca 0.12 -0.03 -0.17 0.00 -1.45 0.00 0.00 58.65 57.12 2eku h GLN 91 Cb 0.09 -0.09 -0.00 0.00 -0.05 0.00 0.00 27.48 27.42 2eku h GLN 91 CO -0.12 0.27 -0.49 0.66 -0.95 0.00 0.00 178.83 178.20 2eku h SER 92 N 0.41 0.93 0.61 1.46 4.64 -0.92 -1.56 113.55 119.12 2eku h SER 92 Ca 0.11 -0.47 -0.16 0.00 -0.47 0.00 0.00 61.79 60.80 2eku h SER 92 Cb -0.04 -0.26 -0.02 0.00 -0.31 0.00 0.00 62.40 61.76 2eku h SER 92 CO -0.02 1.25 -0.72 0.45 -0.87 0.00 0.00 176.83 176.92 2eku h HIS 93 N 0.67 0.13 -0.04 4.77 3.86 -0.89 0.88 115.15 124.53 2eku h HIS 93 Ca 0.03 -0.06 -0.04 0.00 -1.16 0.00 0.00 60.37 59.14 2eku h HIS 93 Cb 1.08 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 29.53 2eku h HIS 93 CO 0.06 0.78 -0.15 0.00 0.86 0.00 0.00 177.93 179.49 2eku h ALA 94 N 1.20 0.07 0.00 2.45 0.00 -1.13 0.12 119.26 121.97 2eku h ALA 94 Ca -0.01 -0.37 -0.33 0.00 0.00 0.00 0.00 54.91 54.19 2eku h ALA 94 Cb 1.28 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 19.00 2eku h ALA 94 CO 0.10 -0.00 -2.30 0.25 0.00 0.00 0.00 179.25 177.30 2eku n THR 95 N -4.61 1.23 -0.12 0.00 -2.24 -0.59 -3.82 114.28 104.12 2eku n THR 95 Ca -0.08 -0.79 -0.26 0.00 -2.27 0.00 0.00 64.05 60.64 2eku n THR 95 Cb 0.40 -0.45 -0.09 0.00 -2.10 0.00 0.00 70.33 68.09 2eku n THR 95 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 2eku n LYS 96 N -2.68 0.53 0.13 -0.78 4.81 -0.08 -4.69 118.16 115.40 2eku n LYS 96 Ca -0.30 0.23 0.10 0.00 -0.87 0.00 0.00 58.31 57.47 2eku n LYS 96 Cb 1.09 -1.39 0.03 0.00 0.02 0.00 0.00 35.03 34.78 2eku n LYS 96 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 2eku h HIS 97 N -0.90 0.00 -4.98 5.64 3.86 -1.05 -3.49 115.15 114.23 2eku h HIS 97 Ca -0.61 0.00 -0.22 0.00 -1.16 0.00 0.00 60.37 58.38 2eku h HIS 97 Cb 1.53 0.00 0.16 0.00 1.06 0.00 0.00 27.41 30.15 2eku h HIS 97 CO -0.10 0.11 -0.68 1.63 0.86 0.00 0.00 177.93 179.76 2eku n LYS 98 N -2.85 -2.84 -3.58 2.45 5.02 -0.13 -4.99 118.16 111.24 2eku n LYS 98 Ca -0.00 0.70 -0.41 0.00 -2.02 0.00 0.00 58.31 56.58 2eku n LYS 98 Cb 0.60 -5.08 -0.10 0.00 -0.02 0.00 0.00 35.03 30.42 2eku n LYS 98 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2eku s ILE 99 N -3.31 4.48 0.59 -0.18 -1.09 0.23 -5.03 121.20 116.90 2eku s ILE 99 Ca 0.27 -1.14 -0.19 0.00 -2.23 0.00 0.00 60.65 57.35 2eku s ILE 99 Cb -0.03 -3.64 -0.04 0.00 -1.58 0.00 0.00 42.46 37.16 2eku s ILE 99 CO 0.60 -0.41 1.11 -2.65 -1.23 0.00 0.00 174.94 172.36 2eku n PRO 100 N 4.98 1.11 0.09 2.79 -0.02 -1.26 -4.71 135.00 137.98 2eku n PRO 100 Ca -0.11 0.43 0.15 0.00 -2.02 0.00 0.00 63.50 61.94 2eku n PRO 100 Cb 0.44 -2.32 0.65 0.00 -0.02 0.00 0.00 33.50 32.26 2eku n PRO 100 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 2eku h ILE 101 N 0.72 0.85 -0.66 4.25 1.08 -1.88 0.09 117.51 121.97 2eku h ILE 101 Ca -0.49 -0.01 0.06 0.00 -0.39 0.00 0.00 64.86 64.03 2eku h ILE 101 Cb 1.35 0.81 -0.04 0.00 -3.07 0.00 0.00 36.82 35.86 2eku h ILE 101 CO 0.53 0.01 0.43 0.50 -0.69 0.00 0.00 178.15 178.93 2eku h LYS 102 N 0.04 0.64 0.00 2.37 1.63 -1.89 0.16 116.57 119.52 2eku h LYS 102 Ca 0.16 -0.04 -0.08 0.00 -0.85 0.00 0.00 60.65 59.84 2eku h LYS 102 Cb 0.58 -0.14 -0.01 0.00 -0.60 0.00 0.00 32.23 32.06 2eku h LYS 102 CO -0.01 0.42 -0.39 1.88 -3.45 0.00 0.00 179.45 177.91 2eku h TYR 103 N 0.66 0.00 -0.04 1.91 -1.99 -1.31 -0.38 116.97 115.82 2eku h TYR 103 Ca 0.28 0.00 -0.13 0.00 2.00 0.00 0.00 58.73 60.89 2eku h TYR 103 Cb 0.27 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.99 2eku h TYR 103 CO -0.00 0.39 -0.56 -0.07 -0.00 0.00 0.00 178.16 177.92 2eku h LEU 104 N 0.00 0.14 -0.63 3.88 3.38 -0.64 -1.78 115.31 119.66 2eku h LEU 104 Ca -0.00 -0.07 -0.06 0.00 0.09 0.00 0.00 57.88 57.83 2eku h LEU 104 Cb 0.94 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.63 2eku h LEU 104 CO 0.05 0.67 0.16 -0.08 0.09 0.00 0.00 178.44 179.33 2eku h GLU 105 N 0.10 1.01 -0.65 1.13 4.81 -0.25 -1.60 114.58 119.13 2eku h GLU 105 Ca -0.00 -0.24 -0.00 0.00 -0.13 0.00 0.00 59.36 58.98 2eku h GLU 105 Cb 1.02 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 30.23 2eku h GLU 105 CO 0.08 0.91 0.40 0.74 -0.73 0.00 0.00 179.01 180.42 2eku h PHE 106 N 0.93 0.85 -0.01 0.92 0.04 -0.68 -0.88 116.94 118.12 2eku h PHE 106 Ca 0.20 0.00 -0.14 0.00 2.80 0.00 0.00 57.97 60.83 2eku h PHE 106 Cb 0.35 -0.28 -0.02 0.00 2.20 0.00 0.00 35.95 38.20 2eku h PHE 106 CO 0.03 0.57 -0.65 0.97 -0.60 0.00 0.00 178.31 178.63 2eku h ILE 107 N 0.89 1.46 -0.69 -0.55 2.10 -1.22 -1.61 117.51 117.89 2eku h ILE 107 Ca 0.24 -2.21 0.00 0.00 1.08 0.00 0.00 64.86 63.97 2eku h ILE 107 Cb -0.04 2.19 -0.03 0.00 -1.09 0.00 0.00 36.82 37.84 2eku h ILE 107 CO -0.05 0.63 0.43 0.28 -1.08 0.00 0.00 178.15 178.37 2eku h SER 108 N 0.02 0.81 -0.71 2.19 0.02 -0.86 0.84 113.55 115.86 2eku h SER 108 Ca -0.01 -0.04 -0.04 0.00 -0.84 0.00 0.00 61.79 60.86 2eku h SER 108 Cb 1.16 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 63.46 2eku h SER 108 CO 0.09 0.61 0.30 -0.33 -1.14 0.00 0.00 176.83 176.35 2eku h GLU 109 N 0.93 1.07 -0.48 3.45 5.08 -0.68 -1.76 114.58 122.19 2eku h GLU 109 Ca 0.25 -0.18 -0.11 0.00 -1.00 0.00 0.00 59.36 58.32 2eku h GLU 109 Cb -0.07 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 28.98 2eku h GLU 109 CO -0.05 0.87 -0.13 0.00 -1.00 0.00 0.00 179.01 178.70 2eku h ALA 110 N 1.27 0.86 -0.14 3.43 0.00 -0.71 -1.09 119.26 122.88 2eku h ALA 110 Ca 0.25 -0.34 0.01 0.00 0.00 0.00 0.00 54.91 54.82 2eku h ALA 110 Cb 0.19 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2eku h ALA 110 CO -0.02 0.64 0.05 0.82 0.00 0.00 0.00 179.25 180.74 2eku h ILE 111 N 0.81 0.97 -0.89 0.00 2.04 -0.57 -0.83 117.51 119.04 2eku h ILE 111 Ca 0.13 -0.04 -0.02 0.00 1.00 0.00 0.00 64.86 65.93 2eku h ILE 111 Cb 0.66 0.84 -0.04 0.00 -0.74 0.00 0.00 36.82 37.53 2eku h ILE 111 CO 0.05 0.02 0.49 0.40 0.00 0.00 0.00 178.15 179.10 2eku h ILE 112 N 0.12 1.26 -0.24 -0.67 1.08 -1.11 -0.50 117.51 117.45 2eku h ILE 112 Ca 0.06 -0.63 0.00 0.00 -0.39 0.00 0.00 64.86 63.90 2eku h ILE 112 Cb 0.03 0.06 -0.01 0.00 -3.07 0.00 0.00 36.82 33.83 2eku h ILE 112 CO -0.06 0.29 0.16 -0.74 -0.69 0.00 0.00 178.15 177.11 2eku h HIS 113 N 1.24 0.31 -0.19 1.37 2.76 -1.02 -1.28 115.15 118.32 2eku h HIS 113 Ca 0.31 0.01 -0.14 0.00 -2.20 0.00 0.00 60.37 58.35 2eku h HIS 113 Cb 0.03 -0.10 -0.01 0.00 1.55 0.00 0.00 27.41 28.87 2eku h HIS 113 CO 0.01 0.20 -0.47 0.28 -1.30 0.00 0.00 177.93 176.65 2eku h VAL 114 N 0.32 1.32 -0.53 5.26 2.07 -0.75 -1.76 116.25 122.18 2eku h VAL 114 Ca 0.09 -1.67 -0.10 0.00 0.82 0.00 0.00 66.70 65.84 2eku h VAL 114 Cb -0.03 1.67 -0.02 0.00 -1.52 0.00 0.00 31.29 31.40 2eku h VAL 114 CO -0.02 0.52 -0.06 -0.07 0.02 0.00 0.00 177.57 177.96 2eku h LEU 115 N 0.40 0.93 -0.74 2.57 4.07 -0.99 -0.88 115.31 120.67 2eku h LEU 115 Ca 0.02 -0.28 -0.04 0.00 0.08 0.00 0.00 57.88 57.67 2eku h LEU 115 Cb 0.97 -0.25 -0.03 0.00 1.08 0.00 0.00 40.66 42.43 2eku h LEU 115 CO 0.09 1.02 0.32 -0.74 -1.08 0.00 0.00 178.44 178.04 2eku h HIS 116 N 0.86 1.11 -0.45 1.13 -0.00 -1.06 0.14 115.15 116.88 2eku h HIS 116 Ca 0.15 -0.07 -0.03 0.00 -0.00 0.00 0.00 60.37 60.41 2eku h HIS 116 Cb 0.59 -0.34 -0.02 0.00 -0.00 0.00 0.00 27.41 27.64 2eku h HIS 116 CO 0.04 0.84 0.16 0.77 -0.00 0.00 0.00 177.93 179.73 2eku h SER 117 N 1.06 0.63 0.77 3.26 0.02 -0.72 -3.21 113.55 115.37 2eku h SER 117 Ca 0.25 -0.19 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 2eku h SER 117 Cb 0.18 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.56 2eku h SER 117 CO -0.02 0.65 -0.95 0.54 -1.14 0.00 0.00 176.83 175.91 2eku n ARG 118 N -4.58 0.44 -2.64 3.45 1.74 -0.39 -4.50 116.66 110.18 2eku n ARG 118 Ca 0.01 0.07 -0.12 0.00 -0.77 0.00 0.00 57.85 57.04 2eku n ARG 118 Cb 0.17 -1.72 0.02 0.00 -1.02 0.00 0.00 32.46 29.92 2eku n ARG 118 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 2eku n HIS 119 N -2.32 1.46 -0.26 -1.55 8.25 0.03 -4.95 115.22 115.88 2eku n HIS 119 Ca 0.01 -2.85 0.01 0.00 -0.26 0.00 0.00 57.72 54.63 2eku n HIS 119 Cb 0.49 -0.34 0.22 0.00 1.12 0.00 0.00 29.99 31.49 2eku n HIS 119 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 2eku h PRO 120 N 2.94 1.04 0.00 -0.41 0.13 -1.74 0.72 132.00 134.69 2eku h PRO 120 Ca -0.04 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 65.03 2eku h PRO 120 Cb 1.14 -0.24 0.00 0.00 0.13 0.00 0.00 31.00 32.03 2eku h PRO 120 CO 0.55 0.69 0.00 0.78 -0.23 0.00 0.00 178.00 179.79 2eku h GLY 121 N 1.07 0.00 -0.20 1.56 0.00 -1.92 -1.82 103.07 101.77 2eku h GLY 121 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.65 2eku h GLY 121 CO -0.08 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.68 2eku n ASP 122 N -2.52 2.39 -2.74 0.19 8.00 -0.32 -4.68 116.55 116.87 2eku n ASP 122 Ca 0.01 -2.67 -0.05 0.00 0.71 0.00 0.00 54.79 52.79 2eku n ASP 122 Cb 0.19 -0.29 0.05 0.00 -0.02 0.00 0.00 41.12 41.06 2eku n ASP 122 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 2eku n PHE 123 N -0.96 0.78 -0.52 1.24 7.35 0.10 -4.48 117.46 120.98 2eku n PHE 123 Ca 0.11 -2.40 -0.30 0.00 -0.76 0.00 0.00 57.45 54.10 2eku n PHE 123 Cb 0.52 -0.08 0.27 0.00 0.35 0.00 0.00 39.48 40.55 2eku n PHE 123 CO 0.00 0.00 0.00 0.20 -0.76 0.00 0.00 176.76 176.20 2eku s GLY 124 N -3.17 1.46 0.39 7.13 0.00 -1.18 -4.45 107.32 107.50 2eku s GLY 124 Ca 0.26 -0.71 0.07 0.00 0.00 0.00 0.00 44.72 44.33 2eku s GLY 124 CO -0.01 0.23 2.02 0.00 0.00 0.00 0.00 173.10 175.33 2eku h ALA 125 N -3.15 1.63 -0.48 3.20 0.00 -1.98 0.12 119.26 118.60 2eku h ALA 125 Ca -0.47 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.39 2eku h ALA 125 Cb 1.33 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.93 2eku h ALA 125 CO 0.34 0.31 0.29 0.38 0.00 0.00 0.00 179.25 180.56 2eku h ASP 126 N 0.54 0.47 -0.05 0.00 2.03 -2.00 -0.29 116.42 117.12 2eku h ASP 126 Ca 0.14 0.00 -0.14 0.00 -0.73 0.00 0.00 57.03 56.30 2eku h ASP 126 Cb 0.03 -0.10 -0.01 0.00 -0.83 0.00 0.00 39.33 38.43 2eku h ASP 126 CO -0.02 0.33 -0.42 0.00 -1.03 0.00 0.00 179.24 178.10 2eku h ALA 127 N 1.21 0.82 -0.57 4.15 0.00 -1.52 -1.38 119.26 121.97 2eku h ALA 127 Ca 0.19 -0.45 0.02 0.00 0.00 0.00 0.00 54.91 54.67 2eku h ALA 127 Cb 0.01 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 2eku h ALA 127 CO -0.08 0.65 0.35 0.37 0.00 0.00 0.00 179.25 180.54 2eku h GLN 128 N 0.47 0.69 -0.58 0.00 4.15 -0.55 0.32 115.11 119.62 2eku h GLN 128 Ca 0.04 -0.04 -0.04 0.00 0.77 0.00 0.00 58.65 59.38 2eku h GLN 128 Cb 0.93 -0.15 -0.03 0.00 0.21 0.00 0.00 27.48 28.44 2eku h GLN 128 CO 0.08 0.45 0.22 0.78 -1.93 0.00 0.00 178.83 178.44 2eku h GLY 129 N 0.71 0.94 0.86 2.39 0.00 -0.92 -1.01 103.07 106.03 2eku h GLY 129 Ca 0.22 -0.52 -0.05 0.00 0.00 0.00 0.00 47.33 46.98 2eku h GLY 129 CO -0.08 0.49 -0.03 0.00 0.00 0.00 0.00 176.54 176.91 2eku h ALA 130 N 1.08 0.37 -0.95 3.60 0.00 -0.93 -1.14 119.26 121.28 2eku h ALA 130 Ca 0.19 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2eku h ALA 130 Cb 0.21 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.86 2eku h ALA 130 CO -0.01 0.14 0.58 1.98 0.00 0.00 0.00 179.25 181.93 2eku h MET 131 N 0.26 1.30 -0.50 0.00 -1.53 -0.90 -0.18 114.93 113.38 2eku h MET 131 Ca 0.07 -0.12 0.03 0.00 -3.44 0.00 0.00 59.70 56.24 2eku h MET 131 Cb 0.48 -0.27 -0.04 0.00 -0.55 0.00 0.00 31.60 31.23 2eku h MET 131 CO 0.02 0.90 0.29 -0.91 0.14 0.00 0.00 176.91 177.36 2eku h ASN 132 N 1.32 0.46 -0.86 1.39 -0.26 -0.96 0.18 115.58 116.85 2eku h ASN 132 Ca 0.34 0.01 -0.02 0.00 -0.56 0.00 0.00 56.30 56.07 2eku h ASN 132 Cb -0.06 -0.09 -0.04 0.00 -1.06 0.00 0.00 38.32 37.08 2eku h ASN 132 CO -0.06 0.32 0.46 0.11 -1.06 0.00 0.00 177.43 177.20 2eku h LYS 133 N 0.58 1.22 -0.56 0.81 1.57 -0.63 0.17 116.57 119.73 2eku h LYS 133 Ca 0.21 -0.15 -0.11 0.00 -1.87 0.00 0.00 60.65 58.73 2eku h LYS 133 Cb 0.04 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.10 2eku h LYS 133 CO -0.11 0.91 -0.06 0.00 -0.57 0.00 0.00 179.45 179.62 2eku h ALA 134 N 1.25 0.76 -0.01 3.86 0.00 -0.50 -0.99 119.26 123.63 2eku h ALA 134 Ca 0.30 -0.33 -0.15 0.00 0.00 0.00 0.00 54.91 54.72 2eku h ALA 134 Cb 0.06 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 2eku h ALA 134 CO -0.05 0.64 -0.72 -0.07 0.00 0.00 0.00 179.25 179.06 2eku h LEU 135 N 0.91 0.08 -0.64 0.00 3.38 -0.56 -2.04 115.31 116.44 2eku h LEU 135 Ca 0.15 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 2eku h LEU 135 Cb 0.62 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.32 2eku h LEU 135 CO 0.04 0.77 0.34 -0.33 0.09 0.00 0.00 178.44 179.34 2eku h GLU 136 N 0.04 0.90 -0.28 1.13 5.08 -0.47 -0.77 114.58 120.21 2eku h GLU 136 Ca -0.01 -0.11 -0.00 0.00 -1.00 0.00 0.00 59.36 58.23 2eku h GLU 136 Cb 1.27 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 30.33 2eku h GLU 136 CO 0.10 0.69 0.16 1.25 -1.00 0.00 0.00 179.01 180.21 2eku h LEU 137 N 0.88 0.35 -0.26 1.33 5.85 -0.97 0.11 115.31 122.60 2eku h LEU 137 Ca 0.22 -0.08 0.06 0.00 0.84 0.00 0.00 57.88 58.93 2eku h LEU 137 Cb 0.06 -0.09 -0.07 0.00 0.37 0.00 0.00 40.66 40.93 2eku h LEU 137 CO -0.03 0.32 -0.26 0.15 -0.34 0.00 0.00 178.44 178.28 2eku h PHE 138 N 0.34 -0.69 -0.57 1.25 3.57 -1.21 -1.84 116.94 117.79 2eku h PHE 138 Ca 0.10 0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.61 2eku h PHE 138 Cb 0.05 0.34 -0.03 0.00 2.79 0.00 0.00 35.95 39.10 2eku h PHE 138 CO -0.04 -0.33 0.23 0.00 -2.23 0.00 0.00 178.31 175.94 2eku h ARG 139 N -0.26 0.86 -0.38 1.11 3.08 -0.65 -0.86 114.38 117.27 2eku h ARG 139 Ca 0.14 -0.16 0.06 0.00 0.07 0.00 0.00 59.98 60.09 2eku h ARG 139 Cb 0.48 -0.14 -0.05 0.00 0.08 0.00 0.00 29.97 30.34 2eku h ARG 139 CO -0.40 0.74 0.09 -0.22 -1.07 0.00 0.00 179.97 179.11 2eku h LYS 140 N 0.79 0.22 -0.06 0.04 3.64 -0.58 0.17 116.57 120.79 2eku h LYS 140 Ca 0.19 -0.01 -0.21 0.00 -1.27 0.00 0.00 60.65 59.35 2eku h LYS 140 Cb 0.21 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.98 2eku h LYS 140 CO -0.02 0.14 -0.83 -0.44 -2.27 0.00 0.00 179.45 176.04 2eku h ASP 141 N 0.22 0.58 -0.58 4.20 3.32 -1.08 -1.96 116.42 121.12 2eku h ASP 141 Ca 0.18 -0.42 -0.08 0.00 0.02 0.00 0.00 57.03 56.73 2eku h ASP 141 Cb 0.20 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.56 2eku h ASP 141 CO -0.23 1.19 0.04 0.40 -1.72 0.00 0.00 179.24 178.92 2eku h ILE 142 N 0.30 1.26 -0.68 0.35 2.04 -0.90 -2.90 117.51 116.99 2eku h ILE 142 Ca -0.06 -1.08 0.03 0.00 1.00 0.00 0.00 64.86 64.75 2eku h ILE 142 Cb 1.44 0.82 -0.04 0.00 -0.74 0.00 0.00 36.82 38.30 2eku h ILE 142 CO 0.15 0.39 0.45 0.00 0.00 0.00 0.00 178.15 179.14 2eku h ALA 143 N 0.99 1.62 -0.52 1.87 0.00 -0.47 0.37 119.26 123.13 2eku h ALA 143 Ca 0.17 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.96 2eku h ALA 143 Cb 0.50 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 2eku h ALA 143 CO 0.02 0.31 -0.03 0.00 0.00 0.00 0.00 179.25 179.55 2eku h ALA 144 N 1.61 0.97 -0.29 0.00 0.00 -1.17 -0.57 119.26 119.80 2eku h ALA 144 Ca 0.27 -0.30 -0.16 0.00 0.00 0.00 0.00 54.91 54.72 2eku h ALA 144 Cb 0.07 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 2eku h ALA 144 CO -0.08 0.62 -0.45 0.87 0.00 0.00 0.00 179.25 180.21 2eku h LYS 145 N 0.82 0.76 -0.69 0.00 1.57 -1.06 -2.18 116.57 115.80 2eku h LYS 145 Ca 0.15 -0.43 0.03 0.00 -1.87 0.00 0.00 60.65 58.54 2eku h LYS 145 Cb 0.53 0.03 -0.05 0.00 0.08 0.00 0.00 32.23 32.83 2eku h LYS 145 CO 0.03 1.05 0.42 1.88 -0.57 0.00 0.00 179.45 182.27 2eku h TYR 146 N 0.61 0.79 -0.36 -1.35 -1.99 -0.63 -1.84 116.97 112.20 2eku h TYR 146 Ca 0.04 0.02 -0.04 0.00 2.00 0.00 0.00 58.73 60.75 2eku h TYR 146 Cb 1.02 -0.26 -0.01 0.00 2.00 0.00 0.00 36.73 39.48 2eku h TYR 146 CO 0.05 0.44 0.07 -0.22 -0.00 0.00 0.00 178.16 178.50 2eku h LYS 147 N 0.82 0.59 -0.65 4.88 3.64 -0.91 -0.09 116.57 124.85 2eku h LYS 147 Ca 0.28 -0.15 0.12 0.00 -1.27 0.00 0.00 60.65 59.63 2eku h LYS 147 Cb 0.05 -0.07 -0.09 0.00 -0.41 0.00 0.00 32.23 31.71 2eku h LYS 147 CO -0.12 0.65 0.18 1.49 -2.27 0.00 0.00 179.45 179.38 2eku h GLU 148 N 0.43 0.31 -0.01 1.90 4.81 -1.15 -1.82 114.58 119.05 2eku h GLU 148 Ca 0.11 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 2eku h GLU 148 Cb 0.34 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.65 2eku h GLU 148 CO 0.01 0.20 0.00 1.28 -0.73 0.00 0.00 179.01 179.77 2eku n LEU 149 N -5.09 0.25 -0.38 1.64 4.77 -0.71 -4.90 117.00 112.57 2eku n LEU 149 Ca 0.11 -0.09 -0.04 0.00 -0.03 0.00 0.00 56.01 55.96 2eku n LEU 149 Cb 0.35 -0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.43 2eku n LEU 149 CO 0.17 0.04 -0.04 0.61 -1.33 0.00 0.00 177.39 176.84 2eku n GLY 150 N 1.01 0.33 3.65 -0.72 0.00 -0.25 -5.03 105.19 104.18 2eku n GLY 150 Ca 0.22 -0.78 -0.34 0.00 0.00 0.00 0.00 46.02 45.12 2eku n GLY 150 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2eku s TYR 151 N -2.17 3.07 0.05 1.61 5.04 -0.21 -5.02 117.35 119.71 2eku s TYR 151 Ca 0.00 0.11 0.03 0.00 -2.44 0.00 0.00 57.07 54.77 2eku s TYR 151 Cb 0.00 -1.73 -0.03 0.00 0.35 0.00 0.00 41.96 40.55 2eku s TYR 151 CO 0.00 0.43 -0.09 -0.65 -1.34 0.00 0.00 175.55 173.90 2eku s GLN 152 N -1.03 0.60 0.00 4.97 -1.52 -1.26 -4.33 119.66 117.09 2eku s GLN 152 Ca 0.15 -0.83 0.29 0.00 -1.95 0.00 0.00 55.36 53.01 2eku s GLN 152 Cb -0.11 -0.39 1.73 0.00 -0.22 0.00 0.00 33.01 34.02 2eku s GLN 152 CO 0.04 0.07 2.06 0.41 -0.25 0.00 0.00 175.29 177.62