#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kuq n LYS 4 N 0.00 0.09 -0.06 0.00 4.81 -1.26 0.19 118.16 121.92 1kuq n LYS 4 Ca 0.00 0.00 -0.09 0.00 -0.87 0.00 0.00 58.31 57.35 1kuq n LYS 4 Cb 0.00 -1.40 -0.03 0.00 0.02 0.00 0.00 35.03 33.62 1kuq n LYS 4 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 1kuq n GLU 5 N -0.90 0.39 0.08 1.64 2.13 -1.26 -4.20 120.64 118.52 1kuq n GLU 5 Ca 0.02 0.16 -0.12 0.00 0.66 0.00 0.00 57.16 57.88 1kuq n GLU 5 Cb 0.01 -1.18 -0.08 0.00 0.27 0.00 0.00 31.44 30.45 1kuq n GLU 5 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 1kuq h GLU 6 N -0.72 -0.24 -0.21 5.31 4.57 -1.54 -1.51 114.58 120.24 1kuq h GLU 6 Ca -0.09 0.02 0.06 0.00 -1.18 0.00 0.00 59.36 58.16 1kuq h GLU 6 Cb 0.86 0.05 -0.06 0.00 -0.16 0.00 0.00 28.75 29.44 1kuq h GLU 6 CO -0.06 0.17 -0.20 -0.22 -1.18 0.00 0.00 179.01 177.52 1kuq h LYS 7 N -0.76 -0.20 0.00 1.92 3.64 0.17 -0.50 116.57 120.83 1kuq h LYS 7 Ca -0.02 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1kuq h LYS 7 Cb 0.51 0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.38 1kuq h LYS 7 CO 0.04 -0.14 -0.01 1.96 -2.27 0.00 0.00 179.45 179.03 1kuq h GLN 8 N -0.21 0.00 -0.09 1.90 1.08 -1.59 -2.61 115.11 113.59 1kuq h GLN 8 Ca 0.13 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.32 1kuq h GLN 8 Cb 0.40 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.83 1kuq h GLN 8 CO -0.34 0.01 0.03 -0.22 -0.95 0.00 0.00 178.83 177.36 1kuq h LYS 9 N 0.00 0.15 -0.08 1.46 3.11 0.00 -1.61 116.57 119.60 1kuq h LYS 9 Ca -0.00 -0.03 -0.07 0.00 -2.81 0.00 0.00 60.65 57.73 1kuq h LYS 9 Cb 0.03 -0.02 -0.01 0.00 -1.00 0.00 0.00 32.23 31.22 1kuq h LYS 9 CO 0.00 0.32 -0.28 0.28 -2.81 0.00 0.00 179.45 176.95 1kuq h VAL 10 N -0.05 1.24 -0.46 2.00 2.07 -1.19 -1.09 116.25 118.76 1kuq h VAL 10 Ca 0.03 -1.12 -0.11 0.00 0.82 0.00 0.00 66.70 66.33 1kuq h VAL 10 Cb 0.23 1.50 -0.01 0.00 -1.52 0.00 0.00 31.29 31.49 1kuq h VAL 10 CO -0.00 0.33 -0.13 0.40 0.02 0.00 0.00 177.57 178.19 1kuq h ILE 11 N 0.13 1.27 -0.18 4.57 2.04 -1.26 0.57 117.51 124.65 1kuq h ILE 11 Ca 0.02 -1.26 -0.07 0.00 1.00 0.00 0.00 64.86 64.55 1kuq h ILE 11 Cb 0.57 1.12 -0.01 0.00 -0.74 0.00 0.00 36.82 37.76 1kuq h ILE 11 CO 0.04 0.43 -0.21 1.56 0.00 0.00 0.00 178.15 179.98 1kuq h GLN 12 N 0.75 0.31 -0.00 2.37 4.20 -0.84 -0.74 115.11 121.15 1kuq h GLN 12 Ca 0.12 -0.09 -0.00 0.00 0.06 0.00 0.00 58.65 58.73 1kuq h GLN 12 Cb 0.68 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.43 1kuq h GLN 12 CO 0.05 0.51 -0.01 1.49 -0.67 0.00 0.00 178.83 180.19 1kuq h GLU 13 N 0.28 0.02 -0.67 1.46 4.81 -0.57 -3.35 114.58 116.56 1kuq h GLU 13 Ca 0.05 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1kuq h GLU 13 Cb 0.53 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.91 1kuq h GLU 13 CO 0.04 0.63 0.00 1.19 -0.73 0.00 0.00 179.01 180.14 1kuq n PHE 14 N -4.78 1.50 -1.11 0.92 3.01 0.19 -4.97 117.46 112.22 1kuq n PHE 14 Ca -0.09 -0.60 -0.29 0.00 1.01 0.00 0.00 57.45 57.48 1kuq n PHE 14 Cb 0.32 -0.24 0.20 0.00 -0.01 0.00 0.00 39.48 39.75 1kuq n PHE 14 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1kuq s ALA 15 N -1.82 0.74 -0.26 4.37 0.00 -0.29 -3.36 121.76 121.13 1kuq s ALA 15 Ca 0.52 -0.49 0.04 0.00 0.00 0.00 0.00 51.96 52.03 1kuq s ALA 15 Cb 0.33 -3.07 -0.03 0.00 0.00 0.00 0.00 23.12 20.35 1kuq s ALA 15 CO 0.25 -3.10 0.26 0.54 0.00 0.00 0.00 175.76 173.72 1kuq n ARG 16 N -4.37 4.56 -3.57 0.00 1.74 -1.26 -4.96 116.66 108.80 1kuq n ARG 16 Ca 0.06 -0.14 -0.06 0.00 -0.77 0.00 0.00 57.85 56.94 1kuq n ARG 16 Cb 0.58 -0.77 -0.03 0.00 -1.02 0.00 0.00 32.46 31.23 1kuq n ARG 16 CO 0.00 0.00 0.00 -0.59 -1.52 0.00 0.00 177.63 175.52 1kuq s PHE 17 N -1.21 -0.21 -0.53 -1.55 -0.12 -1.26 -5.05 117.98 108.04 1kuq s PHE 17 Ca 0.02 0.19 -0.28 0.00 -0.05 0.00 0.00 56.93 56.81 1kuq s PHE 17 Cb 0.03 0.51 -0.10 0.00 -0.63 0.00 0.00 43.02 42.83 1kuq s PHE 17 CO 0.15 -0.29 2.42 -2.30 -0.05 0.00 0.00 175.22 175.15 1kuq n PRO 18 N 0.04 0.96 0.00 1.99 -0.02 -1.26 -1.32 135.00 135.39 1kuq n PRO 18 Ca -0.03 0.09 0.00 0.00 -2.02 0.00 0.00 63.50 61.53 1kuq n PRO 18 Cb 0.59 -2.97 0.00 0.00 -0.02 0.00 0.00 33.50 31.10 1kuq n PRO 18 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1kuq n GLY 19 N 6.13 1.06 3.72 -1.23 0.00 -1.26 -5.10 105.19 108.52 1kuq n GLY 19 Ca 0.42 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.03 1kuq n GLY 19 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1kuq s ASP 20 N -1.27 7.34 0.00 1.61 2.15 -0.43 -4.88 116.67 121.18 1kuq s ASP 20 Ca 0.00 1.61 0.00 0.00 0.43 0.00 0.00 52.55 54.59 1kuq s ASP 20 Cb 0.00 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 40.08 1kuq s ASP 20 CO 0.00 -0.13 0.00 0.35 -0.17 0.00 0.00 175.17 175.22 1kuq n THR 21 N 3.34 0.00 -0.00 1.71 -2.24 -1.26 -4.78 114.28 111.04 1kuq n THR 21 Ca 0.02 -0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 1kuq n THR 21 Cb 0.50 1.51 0.00 0.00 -2.10 0.00 0.00 70.33 70.24 1kuq n THR 21 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1kuq n GLY 22 N 0.00 0.82 3.32 3.38 0.00 -1.26 -4.71 105.19 106.74 1kuq n GLY 22 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1kuq n GLY 22 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1kuq n SER 23 N -0.86 -2.82 0.29 1.61 3.41 -1.26 -4.57 113.62 109.42 1kuq n SER 23 Ca 0.00 0.24 0.15 0.00 -0.26 0.00 0.00 58.87 59.00 1kuq n SER 23 Cb 0.00 -1.08 0.90 0.00 -0.26 0.00 0.00 64.21 63.76 1kuq n SER 23 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 1kuq h THR 24 N -1.51 0.52 0.35 6.66 2.02 -1.97 -1.50 112.91 117.46 1kuq h THR 24 Ca -0.45 -0.09 -0.02 0.00 0.77 0.00 0.00 66.41 66.62 1kuq h THR 24 Cb 1.30 1.06 0.00 0.00 -1.74 0.00 0.00 68.15 68.77 1kuq h THR 24 CO 0.32 0.02 -0.17 -0.33 0.37 0.00 0.00 175.52 175.74 1kuq h GLU 25 N 0.00 -0.45 -0.70 6.66 3.07 -1.87 -2.31 114.58 118.98 1kuq h GLU 25 Ca -0.00 0.03 0.13 0.00 -0.50 0.00 0.00 59.36 59.02 1kuq h GLU 25 Cb 0.06 0.10 -0.09 0.00 -0.84 0.00 0.00 28.75 27.98 1kuq h GLU 25 CO 0.00 -0.30 0.22 0.28 -1.40 0.00 0.00 179.01 177.82 1kuq h VAL 26 N -0.94 0.63 -0.58 3.13 2.07 -1.53 0.17 116.25 119.20 1kuq h VAL 26 Ca -0.05 -0.12 0.05 0.00 0.82 0.00 0.00 66.70 67.40 1kuq h VAL 26 Cb 0.36 0.24 -0.05 0.00 -1.52 0.00 0.00 31.29 30.32 1kuq h VAL 26 CO 0.08 0.07 0.31 1.56 0.02 0.00 0.00 177.57 179.60 1kuq h GLN 27 N 0.36 0.57 -0.45 1.57 4.20 -1.35 -0.46 115.11 119.55 1kuq h GLN 27 Ca 0.38 -0.03 -0.13 0.00 0.06 0.00 0.00 58.65 58.92 1kuq h GLN 27 Cb 0.58 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.22 1kuq h GLN 27 CO -0.42 0.38 -0.24 0.28 -0.67 0.00 0.00 178.83 178.16 1kuq h VAL 28 N 0.59 1.27 -0.83 -0.54 2.07 -0.61 -0.86 116.25 117.34 1kuq h VAL 28 Ca 0.25 -1.40 0.03 0.00 0.82 0.00 0.00 66.70 66.40 1kuq h VAL 28 Cb 0.14 1.20 -0.05 0.00 -1.52 0.00 0.00 31.29 31.07 1kuq h VAL 28 CO -0.16 0.48 0.53 0.00 0.02 0.00 0.00 177.57 178.44 1kuq h ALA 29 N 0.84 1.08 -0.11 1.67 0.00 -0.22 0.19 119.26 122.70 1kuq h ALA 29 Ca 0.10 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 1kuq h ALA 29 Cb 0.82 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 1kuq h ALA 29 CO 0.07 0.37 -0.16 -0.07 0.00 0.00 0.00 179.25 179.46 1kuq h LEU 30 N 1.04 0.34 0.09 0.00 4.07 -0.94 -0.28 115.31 119.64 1kuq h LEU 30 Ca 0.33 -0.52 0.02 0.00 0.08 0.00 0.00 57.88 57.78 1kuq h LEU 30 Cb -0.01 -0.10 -0.04 0.00 1.08 0.00 0.00 40.66 41.60 1kuq h LEU 30 CO -0.11 0.79 -0.25 -0.07 -1.08 0.00 0.00 178.44 177.72 1kuq h LEU 31 N -0.11 -0.73 -0.02 1.67 -0.00 -0.91 0.41 115.31 115.63 1kuq h LEU 31 Ca 0.01 0.09 0.00 0.00 -0.00 0.00 0.00 57.88 57.98 1kuq h LEU 31 Cb 0.72 0.28 -0.00 0.00 -0.00 0.00 0.00 40.66 41.65 1kuq h LEU 31 CO 0.04 -0.34 -0.02 0.74 -0.00 0.00 0.00 178.44 178.86 1kuq h THR 32 N -0.45 0.00 -0.98 0.22 2.02 -0.60 0.81 112.91 113.93 1kuq h THR 32 Ca 0.04 0.00 0.31 0.00 0.77 0.00 0.00 66.41 67.52 1kuq h THR 32 Cb 0.48 0.00 -0.15 0.00 -1.74 0.00 0.00 68.15 66.75 1kuq h THR 32 CO -0.16 0.00 0.51 0.25 0.37 0.00 0.00 175.52 176.49 1kuq h LEU 33 N -0.01 0.43 -0.44 2.58 5.85 -0.69 0.15 115.31 123.19 1kuq h LEU 33 Ca 0.00 0.19 -0.17 0.00 0.84 0.00 0.00 57.88 58.74 1kuq h LEU 33 Cb 0.02 0.16 -0.00 0.00 0.37 0.00 0.00 40.66 41.20 1kuq h LEU 33 CO -0.02 -0.14 -0.61 0.03 -0.34 0.00 0.00 178.44 177.36 1kuq h ARG 34 N 0.31 0.58 0.00 1.25 3.08 0.25 -2.62 114.38 117.23 1kuq h ARG 34 Ca 0.70 -0.40 -0.03 0.00 0.07 0.00 0.00 59.98 60.33 1kuq h ARG 34 Cb 1.58 0.06 -0.00 0.00 0.08 0.00 0.00 29.97 31.68 1kuq h ARG 34 CO -0.61 1.01 -0.14 0.82 -1.07 0.00 0.00 179.97 179.98 1kuq h ILE 35 N 0.43 0.43 0.00 2.04 2.04 0.33 -3.01 117.51 119.77 1kuq h ILE 35 Ca -0.00 -0.79 -0.05 0.00 1.00 0.00 0.00 64.86 65.01 1kuq h ILE 35 Cb 1.17 1.56 -0.01 0.00 -0.74 0.00 0.00 36.82 38.80 1kuq h ILE 35 CO 0.12 0.14 -0.31 0.78 0.00 0.00 0.00 178.15 178.87 1kuq h ASN 36 N 0.00 0.00 0.00 1.72 -0.26 -1.25 -3.17 115.58 112.62 1kuq h ASN 36 Ca -0.00 -0.77 0.00 0.00 -0.56 0.00 0.00 56.30 54.97 1kuq h ASN 36 Cb 0.55 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.81 1kuq h ASN 36 CO 0.02 1.07 0.07 0.03 -1.06 0.00 0.00 177.43 177.56 1kuq h ARG 37 N -1.00 0.00 0.06 0.81 2.47 -1.46 -1.55 114.38 113.71 1kuq h ARG 37 Ca -0.08 0.00 -0.36 0.00 -1.26 0.00 0.00 59.98 58.28 1kuq h ARG 37 Cb 0.97 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 29.25 1kuq h ARG 37 CO -0.05 0.00 -2.11 -0.11 0.56 0.00 0.00 179.97 178.26 1kuq n LEU 38 N -2.34 2.17 0.01 3.04 7.94 -1.14 -3.27 117.00 123.40 1kuq n LEU 38 Ca -0.02 0.14 -0.12 0.00 -1.11 0.00 0.00 56.01 54.90 1kuq n LEU 38 Cb 0.11 -0.69 -0.08 0.00 0.53 0.00 0.00 43.42 43.29 1kuq n LEU 38 CO 0.10 0.76 0.80 0.28 -1.11 0.00 0.00 177.39 178.22 1kuq h SER 39 N 0.03 0.03 -0.85 1.96 0.02 -1.36 0.36 113.55 113.74 1kuq h SER 39 Ca -0.45 -0.16 0.18 0.00 -0.84 0.00 0.00 61.79 60.51 1kuq h SER 39 Cb 2.02 -0.01 -0.06 0.00 0.14 0.00 0.00 62.40 64.49 1kuq h SER 39 CO 0.04 0.18 0.56 -0.33 -1.14 0.00 0.00 176.83 176.14 1kuq h GLU 40 N -0.13 0.43 0.37 3.45 4.39 -1.48 -1.61 114.58 120.00 1kuq h GLU 40 Ca 0.01 -0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.66 1kuq h GLU 40 Cb 0.16 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.72 1kuq h GLU 40 CO -0.00 0.28 -0.18 1.25 -1.16 0.00 0.00 179.01 179.20 1kuq h HIS 41 N 0.44 -0.47 -0.82 4.33 2.76 -1.17 -3.13 115.15 117.08 1kuq h HIS 41 Ca 0.43 -0.01 0.24 0.00 -2.20 0.00 0.00 60.37 58.83 1kuq h HIS 41 Cb 1.02 0.15 -0.03 0.00 1.55 0.00 0.00 27.41 30.10 1kuq h HIS 41 CO -0.00 -0.14 0.77 -0.07 -1.30 0.00 0.00 177.93 177.19 1kuq h LEU 42 N -0.94 0.00 0.36 0.26 3.38 0.57 0.90 115.31 119.85 1kuq h LEU 42 Ca -0.05 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 1kuq h LEU 42 Cb 0.54 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.29 1kuq h LEU 42 CO 0.08 0.00 -0.17 0.11 0.09 0.00 0.00 178.44 178.55 1kuq h LYS 43 N 0.00 -0.47 0.07 1.13 1.79 -1.31 -0.84 116.57 116.94 1kuq h LYS 43 Ca 0.39 0.03 -0.00 0.00 -2.18 0.00 0.00 60.65 58.89 1kuq h LYS 43 Cb 1.92 0.11 0.00 0.00 -1.58 0.00 0.00 32.23 32.67 1kuq h LYS 43 CO -0.00 -0.27 -0.03 0.28 -1.08 0.00 0.00 179.45 178.34 1kuq h VAL 44 N -0.55 0.99 -2.65 0.50 2.07 -0.94 -3.30 116.25 112.36 1kuq h VAL 44 Ca -0.05 -0.20 -0.72 0.00 0.82 0.00 0.00 66.70 66.55 1kuq h VAL 44 Cb 0.41 1.12 -0.34 0.00 -1.52 0.00 0.00 31.29 30.96 1kuq h VAL 44 CO 0.08 0.05 0.16 1.41 0.02 0.00 0.00 177.57 179.29 1kuq n HIS 45 N -5.09 2.99 1.10 1.57 8.25 -0.75 -4.86 115.22 118.43 1kuq n HIS 45 Ca -0.08 -3.34 0.10 0.00 -0.26 0.00 0.00 57.72 54.14 1kuq n HIS 45 Cb 0.10 -0.97 0.55 0.00 1.12 0.00 0.00 29.99 30.79 1kuq n HIS 45 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1kuq n LYS 46 N 1.20 0.46 0.07 -0.41 5.02 -0.33 -2.40 118.16 121.78 1kuq n LYS 46 Ca 0.27 0.05 -0.07 0.00 -2.02 0.00 0.00 58.31 56.54 1kuq n LYS 46 Cb 0.37 -1.50 -0.08 0.00 -0.02 0.00 0.00 35.03 33.80 1kuq n LYS 46 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 1kuq h LYS 47 N 0.00 0.03 -5.53 1.97 1.57 -1.89 -3.43 116.57 109.30 1kuq h LYS 47 Ca 0.00 -0.04 -0.32 0.00 -1.87 0.00 0.00 60.65 58.42 1kuq h LYS 47 Cb 0.09 0.02 0.01 0.00 0.08 0.00 0.00 32.23 32.42 1kuq h LYS 47 CO 0.00 0.97 1.14 0.34 -0.57 0.00 0.00 179.45 181.33 1kuq s ASP 48 N -6.77 4.24 0.03 0.86 -1.08 -1.01 -4.70 116.67 108.24 1kuq s ASP 48 Ca 0.00 0.77 0.21 0.00 -0.52 0.00 0.00 52.55 53.02 1kuq s ASP 48 Cb 0.10 -2.52 -0.21 0.00 -1.46 0.00 0.00 42.92 38.83 1kuq s ASP 48 CO 0.82 -3.21 0.64 1.41 0.52 0.00 0.00 175.17 175.35 1kuq n HIS 49 N 16.87 0.38 0.31 -5.34 8.25 -1.26 -3.89 115.22 130.53 1kuq n HIS 49 Ca 0.40 0.11 -0.13 0.00 -0.26 0.00 0.00 57.72 57.85 1kuq n HIS 49 Cb 0.51 -0.73 -0.06 0.00 1.12 0.00 0.00 29.99 30.83 1kuq n HIS 49 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 1kuq h HIS 50 N 0.00 -0.77 -0.09 4.41 6.17 -1.99 -2.89 115.15 119.99 1kuq h HIS 50 Ca -0.06 -0.02 0.03 0.00 0.71 0.00 0.00 60.37 61.03 1kuq h HIS 50 Cb 1.15 0.25 -0.00 0.00 2.52 0.00 0.00 27.41 31.33 1kuq h HIS 50 CO 0.00 -0.48 0.22 0.77 0.71 0.00 0.00 177.93 179.16 1kuq h SER 51 N -1.18 0.00 -0.68 3.26 0.02 -1.97 0.14 113.55 113.13 1kuq h SER 51 Ca -0.08 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.84 1kuq h SER 51 Cb 0.63 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.14 1kuq h SER 51 CO 0.14 0.00 0.32 -0.74 -1.14 0.00 0.00 176.83 175.41 1kuq h HIS 52 N 0.00 0.98 -0.54 3.45 6.17 -1.62 -2.99 115.15 120.60 1kuq h HIS 52 Ca 0.04 -0.05 0.06 0.00 0.71 0.00 0.00 60.37 61.14 1kuq h HIS 52 Cb 0.49 -0.30 -0.09 0.00 2.52 0.00 0.00 27.41 30.02 1kuq h HIS 52 CO 0.00 0.73 -0.55 0.00 0.71 0.00 0.00 177.93 178.83 1kuq h ARG 53 N 0.94 -0.29 -0.92 5.26 3.08 -0.91 0.96 114.38 122.49 1kuq h ARG 53 Ca 0.23 0.02 0.18 0.00 0.07 0.00 0.00 59.98 60.49 1kuq h ARG 53 Cb 0.12 0.07 -0.18 0.00 0.08 0.00 0.00 29.97 30.06 1kuq h ARG 53 CO -0.03 -0.19 -0.24 0.78 -1.07 0.00 0.00 179.97 179.22 1kuq h GLY 54 N -0.30 0.65 0.43 0.04 0.00 -1.63 0.57 103.07 102.83 1kuq h GLY 54 Ca 0.11 0.31 0.07 0.00 0.00 0.00 0.00 47.33 47.82 1kuq h GLY 54 CO -0.68 -0.35 0.07 -2.00 0.00 0.00 0.00 176.54 173.59 1kuq h LEU 55 N -0.00 -0.02 -0.78 3.11 6.46 -0.84 -1.06 115.31 122.17 1kuq h LEU 55 Ca 0.44 0.08 0.18 0.00 -0.12 0.00 0.00 57.88 58.46 1kuq h LEU 55 Cb 0.67 0.11 -0.12 0.00 -0.73 0.00 0.00 40.66 40.60 1kuq h LEU 55 CO -0.95 0.02 0.21 -0.07 -0.62 0.00 0.00 178.44 177.03 1kuq h LEU 56 N 0.20 0.04 0.70 2.25 3.38 0.77 -1.28 115.31 121.36 1kuq h LEU 56 Ca 0.21 0.16 -0.03 0.00 0.09 0.00 0.00 57.88 58.31 1kuq h LEU 56 Cb 0.27 0.21 0.01 0.00 0.09 0.00 0.00 40.66 41.24 1kuq h LEU 56 CO -0.29 -0.06 -0.34 0.24 0.09 0.00 0.00 178.44 178.09 1kuq h MET 57 N 0.27 -0.90 -1.01 1.13 2.86 -0.74 -2.57 114.93 113.97 1kuq h MET 57 Ca 0.46 0.06 0.26 0.00 -2.06 0.00 0.00 59.70 58.41 1kuq h MET 57 Cb 0.82 0.21 -0.08 0.00 0.06 0.00 0.00 31.60 32.60 1kuq h MET 57 CO -0.54 -0.60 0.67 0.52 1.06 0.00 0.00 176.91 178.01 1kuq h MET 58 N -1.07 0.32 -0.47 1.72 2.86 -1.13 1.01 114.93 118.16 1kuq h MET 58 Ca -0.10 -0.02 -0.08 0.00 -2.06 0.00 0.00 59.70 57.44 1kuq h MET 58 Cb 0.72 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.29 1kuq h MET 58 CO 0.16 0.21 -0.03 0.28 1.06 0.00 0.00 176.91 178.59 1kuq h VAL 59 N 0.33 1.27 -0.07 -2.22 2.07 -1.19 -0.02 116.25 116.41 1kuq h VAL 59 Ca 0.54 -1.11 -0.05 0.00 0.82 0.00 0.00 66.70 66.91 1kuq h VAL 59 Cb 1.51 1.04 0.00 0.00 -1.52 0.00 0.00 31.29 32.32 1kuq h VAL 59 CO -0.21 0.38 -0.15 1.23 0.02 0.00 0.00 177.57 178.84 1kuq h GLY 60 N 0.70 0.24 0.24 2.17 0.00 0.40 -1.94 103.07 104.88 1kuq h GLY 60 Ca 0.13 -0.29 0.16 0.00 0.00 0.00 0.00 47.33 47.33 1kuq h GLY 60 CO 0.03 0.26 0.57 -1.61 0.00 0.00 0.00 176.54 175.79 1kuq h GLN 61 N -0.27 0.77 -0.27 4.80 5.75 0.80 0.09 115.11 126.78 1kuq h GLN 61 Ca 0.00 -0.05 -0.17 0.00 -0.15 0.00 0.00 58.65 58.28 1kuq h GLN 61 Cb 0.75 -0.17 -0.00 0.00 1.07 0.00 0.00 27.48 29.12 1kuq h GLN 61 CO 0.03 0.51 -0.53 -0.09 -2.65 0.00 0.00 178.83 176.10 1kuq h ARG 62 N 0.79 0.79 -0.70 1.69 2.43 -0.93 -2.24 114.38 116.21 1kuq h ARG 62 Ca 0.53 -0.48 -0.04 0.00 -0.81 0.00 0.00 59.98 59.17 1kuq h ARG 62 Cb 0.73 0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.30 1kuq h ARG 62 CO -0.35 1.11 0.26 -0.09 -1.51 0.00 0.00 179.97 179.40 1kuq h ARG 63 N 0.61 1.04 -0.51 0.20 2.43 -0.32 -1.42 114.38 116.40 1kuq h ARG 63 Ca 0.02 -0.18 -0.08 0.00 -0.81 0.00 0.00 59.98 58.92 1kuq h ARG 63 Cb 1.11 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 30.48 1kuq h ARG 63 CO 0.11 0.85 -0.01 0.00 -1.51 0.00 0.00 179.97 179.42 1kuq h ARG 64 N 1.01 0.90 0.02 0.20 3.08 -0.93 0.21 114.38 118.88 1kuq h ARG 64 Ca 0.23 -0.29 -0.00 0.00 0.07 0.00 0.00 59.98 59.99 1kuq h ARG 64 Cb 0.22 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.19 1kuq h ARG 64 CO -0.02 0.93 -0.01 -0.07 -1.07 0.00 0.00 179.97 179.73 1kuq h LEU 65 N 0.77 -0.03 -0.95 3.04 3.38 -1.19 -1.46 115.31 118.87 1kuq h LEU 65 Ca 0.14 -0.14 0.08 0.00 0.09 0.00 0.00 57.88 58.06 1kuq h LEU 65 Cb 0.53 0.01 -0.07 0.00 0.09 0.00 0.00 40.66 41.22 1kuq h LEU 65 CO 0.03 0.12 0.59 -0.07 0.09 0.00 0.00 178.44 179.21 1kuq h LEU 66 N -0.18 0.92 -0.20 1.67 3.38 -1.06 0.40 115.31 120.23 1kuq h LEU 66 Ca -0.00 0.03 0.04 0.00 0.09 0.00 0.00 57.88 58.03 1kuq h LEU 66 Cb 0.16 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 1kuq h LEU 66 CO 0.01 0.55 -0.06 -0.09 0.09 0.00 0.00 178.44 178.94 1kuq h ARG 67 N 1.03 -0.02 -0.30 1.13 2.43 -0.29 0.34 114.38 118.71 1kuq h ARG 67 Ca 0.43 0.00 0.06 0.00 -0.81 0.00 0.00 59.98 59.66 1kuq h ARG 67 Cb 0.27 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.78 1kuq h ARG 67 CO -0.21 -0.01 -0.03 -0.92 -1.51 0.00 0.00 179.97 177.30 1kuq h TYR 68 N -0.02 -0.07 -0.15 2.20 3.20 0.03 -1.74 116.97 120.42 1kuq h TYR 68 Ca 0.10 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.97 1kuq h TYR 68 Cb 0.17 0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.51 1kuq h TYR 68 CO -0.23 -0.08 -0.01 1.25 -1.64 0.00 0.00 178.16 177.45 1kuq h LEU 69 N 0.05 0.26 -0.14 2.82 5.85 -0.45 -2.62 115.31 121.09 1kuq h LEU 69 Ca 0.15 -0.32 0.05 0.00 0.84 0.00 0.00 57.88 58.59 1kuq h LEU 69 Cb 0.21 -0.07 -0.06 0.00 0.37 0.00 0.00 40.66 41.10 1kuq h LEU 69 CO -0.27 0.52 -0.32 -0.61 -0.34 0.00 0.00 178.44 177.42 1kuq h GLN 70 N 0.00 -0.38 -1.00 1.25 4.15 -0.16 0.59 115.11 119.56 1kuq h GLN 70 Ca 0.04 0.03 -0.14 0.00 0.77 0.00 0.00 58.65 59.35 1kuq h GLN 70 Cb 0.39 0.09 -0.08 0.00 0.21 0.00 0.00 27.48 28.08 1kuq h GLN 70 CO 0.01 -0.25 0.18 2.89 -1.93 0.00 0.00 178.83 179.72 1kuq n ARG 71 N -5.41 1.33 0.00 1.69 1.85 -0.67 -3.54 116.66 111.91 1kuq n ARG 71 Ca -0.03 -0.80 0.00 0.00 -1.00 0.00 0.00 57.85 56.02 1kuq n ARG 71 Cb 0.33 -1.31 0.00 0.00 -1.05 0.00 0.00 32.46 30.42 1kuq n ARG 71 CO 0.00 0.00 0.00 -1.91 -0.01 0.00 0.00 177.63 175.71 1kuq n GLU 72 N 0.06 0.00 -2.76 2.89 4.07 0.40 -4.98 120.64 120.33 1kuq n GLU 72 Ca 0.16 0.00 -0.05 0.00 -0.06 0.00 0.00 57.16 57.21 1kuq n GLU 72 Cb 0.81 -0.43 0.02 0.00 -0.06 0.00 0.00 31.44 31.78 1kuq n GLU 72 CO 0.00 0.00 0.00 -3.47 -0.06 0.00 0.00 177.13 173.60 1kuq n ASP 73 N -1.86 -3.35 -0.30 4.31 -0.08 0.18 -5.04 116.55 110.42 1kuq n ASP 73 Ca 0.00 -3.00 0.14 0.00 -1.51 0.00 0.00 54.79 50.42 1kuq n ASP 73 Cb 0.06 1.77 0.30 0.00 2.34 0.00 0.00 41.12 45.60 1kuq n ASP 73 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1kuq h PRO 74 N 4.79 0.23 -0.21 -0.67 0.11 -1.66 0.16 132.00 134.74 1kuq h PRO 74 Ca 0.02 -0.01 0.05 0.00 0.11 0.00 0.00 66.00 66.16 1kuq h PRO 74 Cb 1.09 -0.05 -0.07 0.00 0.11 0.00 0.00 31.00 32.08 1kuq h PRO 74 CO 0.08 0.16 -0.47 0.93 -0.21 0.00 0.00 178.00 178.49 1kuq h GLU 75 N 0.24 -0.46 -0.64 1.05 4.39 -1.92 1.26 114.58 118.51 1kuq h GLU 75 Ca 0.56 0.03 -0.00 0.00 0.34 0.00 0.00 59.36 60.29 1kuq h GLU 75 Cb 1.13 0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 29.86 1kuq h GLU 75 CO -0.63 -0.31 0.39 0.00 -1.16 0.00 0.00 179.01 177.30 1kuq h ARG 76 N -0.48 0.85 0.13 2.33 2.47 -1.39 -2.92 114.38 115.38 1kuq h ARG 76 Ca 0.08 -0.07 -0.01 0.00 -1.26 0.00 0.00 59.98 58.72 1kuq h ARG 76 Cb 0.63 -0.18 0.00 0.00 -1.65 0.00 0.00 29.97 28.77 1kuq h ARG 76 CO -0.46 0.60 -0.06 -0.92 0.56 0.00 0.00 179.97 179.68 1kuq h TYR 77 N 0.87 -0.16 -0.96 3.04 3.20 0.24 -2.73 116.97 120.48 1kuq h TYR 77 Ca 0.23 -0.00 0.30 0.00 3.14 0.00 0.00 58.73 62.40 1kuq h TYR 77 Cb -0.04 0.05 -0.17 0.00 1.54 0.00 0.00 36.73 38.11 1kuq h TYR 77 CO 0.00 -0.10 0.26 0.07 -1.64 0.00 0.00 178.16 176.75 1kuq h ARG 78 N -0.19 0.09 -0.20 1.82 0.11 0.13 0.25 114.38 116.39 1kuq h ARG 78 Ca -0.02 -0.01 -0.00 0.00 0.10 0.00 0.00 59.98 60.05 1kuq h ARG 78 Cb 0.13 -0.02 -0.01 0.00 1.11 0.00 0.00 29.97 31.18 1kuq h ARG 78 CO 0.03 0.06 0.11 0.00 0.10 0.00 0.00 179.97 180.26 1kuq h ALA 79 N 1.91 0.26 -0.18 0.08 0.00 -1.56 -1.58 119.26 118.19 1kuq h ALA 79 Ca 0.66 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.46 1kuq h ALA 79 Cb 1.48 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.17 1kuq h ALA 79 CO -0.78 -0.20 -0.05 1.25 0.00 0.00 0.00 179.25 179.47 1kuq h LEU 80 N 0.21 0.25 0.05 0.00 5.85 -0.22 0.77 115.31 122.22 1kuq h LEU 80 Ca 0.07 -0.04 -0.23 0.00 0.84 0.00 0.00 57.88 58.52 1kuq h LEU 80 Cb 0.08 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 1kuq h LEU 80 CO -0.01 0.35 -1.09 0.40 -0.34 0.00 0.00 178.44 177.75 1kuq h ILE 81 N 0.27 1.64 -0.12 4.05 1.08 -1.10 -3.09 117.51 120.25 1kuq h ILE 81 Ca 0.06 -3.30 0.00 0.00 -0.39 0.00 0.00 64.86 61.23 1kuq h ILE 81 Cb 0.27 2.88 0.00 0.00 -3.07 0.00 0.00 36.82 36.90 1kuq h ILE 81 CO 0.01 0.95 0.00 -1.84 -0.69 0.00 0.00 178.15 176.58 1kuq n GLU 82 N -3.41 1.90 -0.51 2.37 0.28 -0.61 0.68 120.64 121.34 1kuq n GLU 82 Ca -0.03 -1.33 0.09 0.00 -0.16 0.00 0.00 57.16 55.72 1kuq n GLU 82 Cb 0.97 -1.45 0.31 0.00 1.43 0.00 0.00 31.44 32.69 1kuq n GLU 82 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 1kuq n LYS 83 N 0.58 3.46 0.13 3.44 4.81 0.24 -4.76 118.16 126.06 1kuq n LYS 83 Ca 0.17 -2.74 0.00 0.00 -0.87 0.00 0.00 58.31 54.88 1kuq n LYS 83 Cb 0.42 -1.77 0.00 0.00 0.02 0.00 0.00 35.03 33.69 1kuq n LYS 83 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1kuq n LEU 84 N 0.75 -2.34 0.00 3.14 4.77 -1.19 -5.00 117.00 117.13 1kuq n LEU 84 Ca 0.23 0.54 0.00 0.00 -0.03 0.00 0.00 56.01 56.75 1kuq n LEU 84 Cb 0.81 2.37 0.00 0.00 -2.33 0.00 0.00 43.42 44.27 1kuq n LEU 84 CO 0.20 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 176.88 1kuq n GLY 85 N -1.46 0.26 0.00 -0.72 0.00 0.21 -5.09 105.19 98.40 1kuq n GLY 85 Ca 0.00 -1.79 0.00 0.00 0.00 0.00 0.00 46.02 44.23 1kuq n GLY 85 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83