#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2khq s ILE 2 N 0.00 4.73 0.23 1.12 1.10 -1.26 -4.93 121.20 122.19 2khq s ILE 2 Ca 0.00 0.77 -0.26 0.00 -0.51 0.00 0.00 60.65 60.65 2khq s ILE 2 Cb 0.00 -3.69 -0.09 0.00 0.15 0.00 0.00 42.46 38.84 2khq s ILE 2 CO 0.00 -0.41 0.85 0.42 -2.11 0.00 0.00 174.94 173.69 2khq s THR 3 N -2.25 4.28 0.18 4.00 -4.23 -1.26 -0.73 115.64 115.63 2khq s THR 3 Ca 0.53 1.78 -0.13 0.00 -1.18 0.00 0.00 61.69 62.68 2khq s THR 3 Cb -0.10 -4.13 0.07 0.00 1.34 0.00 0.00 72.50 69.69 2khq s THR 3 CO 0.26 0.40 1.76 0.15 -0.54 0.00 0.00 174.62 176.65 2khq h PHE 4 N 3.91 0.36 0.27 3.99 3.57 -1.08 0.11 116.94 128.08 2khq h PHE 4 Ca -0.47 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.06 2khq h PHE 4 Cb 1.20 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.82 2khq h PHE 4 CO 0.63 0.15 -0.29 0.00 -2.23 0.00 0.00 178.31 176.57 2khq h ALA 5 N 1.29 -0.59 -0.05 2.41 0.00 -1.80 0.60 119.26 121.12 2khq h ALA 5 Ca 0.22 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 2khq h ALA 5 Cb 0.18 0.42 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 2khq h ALA 5 CO -0.19 -0.87 -0.34 0.22 0.00 0.00 0.00 179.25 178.07 2khq h ASP 6 N -0.60 0.09 -0.24 0.00 3.58 -1.81 -2.29 116.42 115.16 2khq h ASP 6 Ca -0.01 -0.03 -0.03 0.00 0.42 0.00 0.00 57.03 57.38 2khq h ASP 6 Cb 0.55 -0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.57 2khq h ASP 6 CO -0.07 0.43 0.01 0.22 -2.88 0.00 0.00 179.24 176.96 2khq h TYR 7 N 0.08 0.45 -0.49 0.28 3.20 -0.41 -1.76 116.97 118.32 2khq h TYR 7 Ca 0.01 -0.07 0.03 0.00 3.14 0.00 0.00 58.73 61.84 2khq h TYR 7 Cb 0.65 -0.12 -0.04 0.00 1.54 0.00 0.00 36.73 38.76 2khq h TYR 7 CO 0.00 0.57 0.28 0.35 -1.64 0.00 0.00 178.16 177.72 2khq h PHE 8 N 0.20 0.52 -0.24 -3.82 3.57 -0.51 0.25 116.94 116.90 2khq h PHE 8 Ca 0.07 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.58 2khq h PHE 8 Cb 0.38 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 38.95 2khq h PHE 8 CO 0.03 0.28 0.13 -0.92 -2.23 0.00 0.00 178.31 175.60 2khq h TYR 9 N 0.55 0.33 -0.23 0.41 3.20 -1.36 -0.63 116.97 119.24 2khq h TYR 9 Ca 0.20 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.06 2khq h TYR 9 Cb 0.06 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.21 2khq h TYR 9 CO -0.08 0.29 0.12 0.37 -1.64 0.00 0.00 178.16 177.22 2khq h GLN 10 N 0.27 0.33 -0.97 1.82 -0.00 -0.94 0.20 115.11 115.82 2khq h GLN 10 Ca 0.08 -0.04 0.11 0.00 -0.00 0.00 0.00 58.65 58.80 2khq h GLN 10 Cb 0.07 -0.06 -0.08 0.00 0.00 0.00 0.00 27.48 27.42 2khq h GLN 10 CO -0.01 0.32 0.62 2.35 0.00 0.00 0.00 178.83 182.11 2khq h TRP 11 N 0.25 1.08 0.11 3.99 7.01 -0.32 -0.32 115.95 127.75 2khq h TRP 11 Ca 0.08 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.10 2khq h TRP 11 Cb 0.10 -0.34 0.00 0.00 -2.10 0.00 0.00 29.16 26.82 2khq h TRP 11 CO -0.03 0.45 -0.05 -0.92 -2.79 0.00 0.00 178.44 175.10 2khq h TYR 12 N 0.96 -0.14 -0.75 2.65 3.20 -0.69 -2.99 116.97 119.21 2khq h TYR 12 Ca 0.47 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.33 2khq h TYR 12 Cb 0.48 0.05 -0.04 0.00 1.54 0.00 0.00 36.73 38.76 2khq h TYR 12 CO -0.00 0.36 0.42 1.49 -1.64 0.00 0.00 178.16 178.79 2khq h GLU 13 N -0.83 1.04 0.00 1.82 4.81 -0.25 0.19 114.58 121.36 2khq h GLU 13 Ca -0.02 -0.11 0.00 0.00 -0.13 0.00 0.00 59.36 59.11 2khq h GLU 13 Cb 0.56 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.73 2khq h GLU 13 CO 0.03 0.75 -0.35 0.28 -0.73 0.00 0.00 179.01 178.99 2khq h VAL 14 N 1.05 0.00 0.00 0.32 2.07 -1.20 -3.38 116.25 115.10 2khq h VAL 14 Ca 0.27 -0.84 0.00 0.00 0.82 0.00 0.00 66.70 66.94 2khq h VAL 14 Cb 0.01 1.65 0.00 0.00 -1.52 0.00 0.00 31.29 31.43 2khq h VAL 14 CO -0.05 0.00 -0.04 0.59 0.02 0.00 0.00 177.57 178.10 2khq n ASN 15 N -2.72 0.25 0.12 0.57 3.02 -0.82 -4.88 115.26 110.81 2khq n ASN 15 Ca 0.03 0.03 0.12 0.00 -0.03 0.00 0.00 54.58 54.73 2khq n ASN 15 Cb 0.51 -0.16 0.13 0.00 -0.61 0.00 0.00 39.78 39.65 2khq n ASN 15 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 2khq h LYS 16 N -0.04 0.00 0.18 3.52 1.79 -0.83 -3.38 116.57 117.82 2khq h LYS 16 Ca 0.00 0.00 0.01 0.00 -2.18 0.00 0.00 60.65 58.48 2khq h LYS 16 Cb 0.04 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.66 2khq h LYS 16 CO 0.00 0.00 -0.29 1.25 -1.08 0.00 0.00 179.45 179.33 2khq h LEU 17 N 0.00 -0.80 0.00 2.94 5.85 -1.37 -2.76 115.31 119.17 2khq h LEU 17 Ca 0.00 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.80 2khq h LEU 17 Cb 0.90 0.29 0.00 0.00 0.37 0.00 0.00 40.66 42.22 2khq h LEU 17 CO 0.00 -0.39 0.00 -0.81 -0.34 0.00 0.00 178.44 176.90 2khq n PRO 18 N -5.40 0.09 -0.00 5.25 -0.04 -1.26 -2.07 135.00 131.57 2khq n PRO 18 Ca -0.07 0.23 0.08 0.00 -0.04 0.00 0.00 63.50 63.70 2khq n PRO 18 Cb 0.31 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.16 2khq n PRO 18 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 2khq n HIS 19 N -1.31 0.00 -4.74 0.54 8.25 -1.04 -5.01 115.22 111.91 2khq n HIS 19 Ca 0.03 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.16 2khq n HIS 19 Cb 0.06 -0.13 -0.07 0.00 1.12 0.00 0.00 29.99 30.97 2khq n HIS 19 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 2khq s VAL 20 N -2.83 1.11 0.39 1.59 -7.23 -0.88 -5.16 120.40 107.38 2khq s VAL 20 Ca 0.02 -1.98 0.00 0.00 -1.81 0.00 0.00 61.98 58.21 2khq s VAL 20 Cb 0.13 -2.09 -0.00 0.00 0.56 0.00 0.00 36.38 34.98 2khq s VAL 20 CO 0.72 0.00 0.01 -1.20 -0.31 0.00 0.00 175.10 174.32 2khq n SER 21 N -1.31 2.93 -0.32 4.85 7.64 -1.26 -4.99 113.62 121.16 2khq n SER 21 Ca -0.20 -2.72 0.22 0.00 1.01 0.00 0.00 58.87 57.18 2khq n SER 21 Cb 0.67 0.32 0.50 0.00 -1.01 0.00 0.00 64.21 64.69 2khq n SER 21 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 2khq h GLU 22 N 0.00 0.40 -0.67 1.43 4.39 -1.97 -0.49 114.58 117.68 2khq h GLU 22 Ca -0.32 -0.02 0.05 0.00 0.34 0.00 0.00 59.36 59.41 2khq h GLU 22 Cb 0.98 -0.09 -0.05 0.00 -0.10 0.00 0.00 28.75 29.49 2khq h GLU 22 CO 0.53 0.27 0.38 0.77 -1.16 0.00 0.00 179.01 179.80 2khq h SER 23 N 0.42 0.58 0.87 1.42 0.02 -2.01 0.15 113.55 114.99 2khq h SER 23 Ca 0.58 0.02 -0.23 0.00 -0.84 0.00 0.00 61.79 61.32 2khq h SER 23 Cb 1.43 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 63.86 2khq h SER 23 CO -0.29 0.38 -1.11 0.74 -1.14 0.00 0.00 176.83 175.41 2khq h THR 24 N 0.71 1.60 -0.89 -2.27 2.02 -1.64 -3.28 112.91 109.17 2khq h THR 24 Ca 0.29 -3.29 0.07 0.00 0.77 0.00 0.00 66.41 64.26 2khq h THR 24 Cb 0.16 2.85 -0.06 0.00 -1.74 0.00 0.00 68.15 69.35 2khq h THR 24 CO -0.17 0.93 0.55 0.11 0.37 0.00 0.00 175.52 177.31 2khq h LYS 25 N 0.02 0.97 -0.58 6.66 1.57 -0.19 -1.88 116.57 123.14 2khq h LYS 25 Ca -0.06 -0.06 0.09 0.00 -1.87 0.00 0.00 60.65 58.75 2khq h LYS 25 Cb 1.84 -0.22 -0.07 0.00 0.08 0.00 0.00 32.23 33.86 2khq h LYS 25 CO 0.15 0.64 0.22 0.00 -0.57 0.00 0.00 179.45 179.88 2khq h ARG 26 N 1.00 0.39 -0.05 3.15 3.08 -0.80 0.32 114.38 121.47 2khq h ARG 26 Ca 0.39 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.41 2khq h ARG 26 Cb 0.20 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.16 2khq h ARG 26 CO -0.18 0.26 0.01 0.45 -1.07 0.00 0.00 179.97 179.43 2khq h HIS 27 N 0.40 0.08 -0.29 3.04 3.86 -1.50 -1.81 115.15 118.93 2khq h HIS 27 Ca 0.29 -0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.48 2khq h HIS 27 Cb 0.34 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 28.77 2khq h HIS 27 CO -0.16 0.31 0.15 1.88 0.86 0.00 0.00 177.93 180.97 2khq h TYR 28 N -0.18 0.39 -0.14 2.45 0.05 -0.94 -0.53 116.97 118.08 2khq h TYR 28 Ca 0.01 -0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.78 2khq h TYR 28 Cb 0.28 -0.13 -0.01 0.00 1.01 0.00 0.00 36.73 37.89 2khq h TYR 28 CO 0.02 0.33 0.06 0.93 -1.05 0.00 0.00 178.16 178.45 2khq h GLU 29 N 0.34 0.20 -0.06 4.88 5.08 -0.37 0.38 114.58 125.03 2khq h GLU 29 Ca 0.10 -0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 58.34 2khq h GLU 29 Cb 0.07 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 2khq h GLU 29 CO -0.02 0.27 -0.39 0.66 -1.00 0.00 0.00 179.01 178.54 2khq h SER 30 N 0.08 0.13 0.04 1.42 4.64 -1.31 0.31 113.55 118.87 2khq h SER 30 Ca 0.05 -0.05 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2khq h SER 30 Cb 0.14 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 2khq h SER 30 CO -0.01 0.51 -0.02 0.00 -0.87 0.00 0.00 176.83 176.45 2khq h ALA 31 N 1.50 -0.05 -0.68 5.18 0.00 -0.74 -0.67 119.26 123.79 2khq h ALA 31 Ca 0.01 -0.16 0.05 0.00 0.00 0.00 0.00 54.91 54.81 2khq h ALA 31 Cb 0.74 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.51 2khq h ALA 31 CO 0.06 -0.37 0.45 -0.92 0.00 0.00 0.00 179.25 178.46 2khq h TYR 32 N -0.38 0.73 -0.39 0.00 3.20 0.00 0.16 116.97 120.29 2khq h TYR 32 Ca -0.01 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.82 2khq h TYR 32 Cb 0.34 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.36 2khq h TYR 32 CO 0.03 0.40 -0.00 -0.22 -1.64 0.00 0.00 178.16 176.73 2khq h LYS 33 N 0.73 0.70 -0.49 1.82 3.64 -0.20 0.31 116.57 123.07 2khq h LYS 33 Ca 0.28 -0.22 -0.07 0.00 -1.27 0.00 0.00 60.65 59.37 2khq h LYS 33 Cb 0.20 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.93 2khq h LYS 33 CO -0.09 0.79 0.02 0.45 -2.27 0.00 0.00 179.45 178.35 2khq h HIS 34 N 0.52 0.85 0.07 1.91 3.86 -0.37 0.17 115.15 122.16 2khq h HIS 34 Ca 0.11 -0.11 -0.00 0.00 -1.16 0.00 0.00 60.37 59.20 2khq h HIS 34 Cb 0.47 -0.24 0.00 0.00 1.06 0.00 0.00 27.41 28.71 2khq h HIS 34 CO 0.04 0.78 -0.03 0.82 0.86 0.00 0.00 177.93 180.39 2khq h ILE 35 N 0.76 1.02 0.00 2.45 2.04 -0.33 -1.08 117.51 122.36 2khq h ILE 35 Ca 0.15 -0.28 -0.04 0.00 1.00 0.00 0.00 64.86 65.68 2khq h ILE 35 Cb 0.43 1.20 -0.01 0.00 -0.74 0.00 0.00 36.82 37.71 2khq h ILE 35 CO 0.02 0.07 -0.21 0.50 0.00 0.00 0.00 178.15 178.53 2khq h LYS 36 N -0.22 0.00 -0.37 2.37 3.64 -0.22 0.80 116.57 122.57 2khq h LYS 36 Ca -0.01 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.24 2khq h LYS 36 Cb 0.19 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.00 2khq h LYS 36 CO 0.02 0.21 -0.27 0.22 -2.27 0.00 0.00 179.45 177.36 2khq h ASP 37 N 0.00 0.88 0.17 4.20 3.58 -0.35 -3.02 116.42 121.88 2khq h ASP 37 Ca -0.00 -0.44 -0.36 0.00 0.42 0.00 0.00 57.03 56.65 2khq h ASP 37 Cb 0.42 -0.25 -0.00 0.00 1.72 0.00 0.00 39.33 41.22 2khq h ASP 37 CO 0.03 1.13 -1.86 0.45 -2.88 0.00 0.00 179.24 176.11 2khq h HIS 38 N 0.64 0.61 -3.34 0.28 3.86 -0.76 -3.42 115.15 113.02 2khq h HIS 38 Ca 0.07 -0.45 -0.63 0.00 -1.16 0.00 0.00 60.37 58.20 2khq h HIS 38 Cb 0.84 -0.02 -0.41 0.00 1.06 0.00 0.00 27.41 28.88 2khq h HIS 38 CO 0.06 1.72 -0.68 -0.06 0.86 0.00 0.00 177.93 179.84 2khq s PHE 39 N -2.57 2.94 -0.09 2.45 0.08 0.27 -4.97 117.98 116.09 2khq s PHE 39 Ca -0.19 -2.91 -0.22 0.00 0.12 0.00 0.00 56.93 53.73 2khq s PHE 39 Cb 0.06 -2.58 -0.19 0.00 -0.57 0.00 0.00 43.02 39.74 2khq s PHE 39 CO 0.82 -0.79 0.78 0.00 -0.10 0.00 0.00 175.22 175.93 2khq h ARG 40 N 6.83 -0.07 0.00 0.44 3.08 -1.73 -3.35 114.38 119.58 2khq h ARG 40 Ca -0.06 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 59.96 2khq h ARG 40 Cb 0.93 0.01 -0.08 0.00 0.08 0.00 0.00 29.97 30.91 2khq h ARG 40 CO 0.60 0.55 -0.48 1.58 -1.07 0.00 0.00 179.97 181.16 2khq n HIS 41 N -4.77 0.00 -2.08 3.04 -0.00 -1.26 -4.77 115.22 105.38 2khq n HIS 41 Ca -0.08 -0.55 -0.42 0.00 0.46 0.00 0.00 57.72 57.13 2khq n HIS 41 Cb 0.32 -0.12 -0.03 0.00 -0.12 0.00 0.00 29.99 30.04 2khq n HIS 41 CO 0.00 0.00 0.00 0.21 0.46 0.00 0.00 176.34 177.01 2khq s LYS 42 N -1.16 4.25 0.53 1.57 2.47 -1.26 -4.83 119.74 121.31 2khq s LYS 42 Ca 0.20 2.14 -0.22 0.00 -1.56 0.00 0.00 55.97 56.54 2khq s LYS 42 Cb 0.20 -3.51 -0.05 0.00 -1.46 0.00 0.00 37.83 33.00 2khq s LYS 42 CO -0.04 -0.62 1.31 -0.51 0.16 0.00 0.00 175.35 175.65 2khq s LEU 43 N 2.24 3.87 0.24 5.43 1.43 -1.26 -0.61 118.68 130.02 2khq s LEU 43 Ca 0.68 2.64 -0.05 0.00 -1.03 0.00 0.00 54.13 56.37 2khq s LEU 43 Cb -0.36 -4.29 0.40 0.00 0.03 0.00 0.00 46.19 41.97 2khq s LEU 43 CO 0.29 -1.43 1.77 0.25 0.23 0.00 0.00 176.35 177.46 2khq h LEU 44 N 1.55 0.44 0.00 1.79 5.85 -1.20 0.14 115.31 123.88 2khq h LEU 44 Ca -0.51 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.29 2khq h LEU 44 Cb 1.29 0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.33 2khq h LEU 44 CO 0.58 0.22 0.00 2.29 -0.34 0.00 0.00 178.44 181.19 2khq n LYS 45 N -4.89 0.54 0.00 1.25 2.85 -1.26 -3.43 118.16 113.21 2khq n LYS 45 Ca 0.13 0.01 0.10 0.00 -1.05 0.00 0.00 58.31 57.50 2khq n LYS 45 Cb 0.33 -1.50 -0.06 0.00 -0.65 0.00 0.00 35.03 33.15 2khq n LYS 45 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 2khq n ASP 46 N -1.22 1.44 -4.60 -5.58 2.03 0.46 -4.87 116.55 104.21 2khq n ASP 46 Ca 0.16 -1.22 -0.43 0.00 0.52 0.00 0.00 54.79 53.82 2khq n ASP 46 Cb 0.20 0.76 -0.03 0.00 -0.72 0.00 0.00 41.12 41.33 2khq n ASP 46 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2khq s ILE 47 N -2.68 3.33 0.29 5.18 1.09 -1.13 -4.90 121.20 122.38 2khq s ILE 47 Ca 0.12 0.34 -0.22 0.00 -1.10 0.00 0.00 60.65 59.80 2khq s ILE 47 Cb 0.16 -3.42 -0.09 0.00 -1.06 0.00 0.00 42.46 38.05 2khq s ILE 47 CO 0.70 -0.25 0.83 -0.54 -0.10 0.00 0.00 174.94 175.58 2khq s LYS 48 N 5.74 4.35 0.46 2.79 1.02 -1.26 -4.80 119.74 128.04 2khq s LYS 48 Ca 0.86 1.05 0.13 0.00 0.02 0.00 0.00 55.97 58.03 2khq s LYS 48 Cb -0.27 -2.73 1.06 0.00 -0.52 0.00 0.00 37.83 35.37 2khq s LYS 48 CO 0.34 0.28 2.05 0.00 -0.92 0.00 0.00 175.35 177.10 2khq h ARG 49 N 3.05 0.10 0.00 1.68 3.08 -1.93 0.96 114.38 121.32 2khq h ARG 49 Ca -0.48 -0.01 -0.09 0.00 0.07 0.00 0.00 59.98 59.47 2khq h ARG 49 Cb 1.19 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 31.21 2khq h ARG 49 CO 0.65 0.16 -0.45 1.15 -1.07 0.00 0.00 179.97 180.41 2khq h THR 50 N 0.10 1.17 0.00 2.04 2.02 -1.92 -1.28 112.91 115.04 2khq h THR 50 Ca 0.02 -1.61 -0.11 0.00 0.77 0.00 0.00 66.41 65.49 2khq h THR 50 Cb 0.16 1.90 0.01 0.00 -1.74 0.00 0.00 68.15 68.48 2khq h THR 50 CO 0.01 0.44 -0.42 -0.33 0.37 0.00 0.00 175.52 175.58 2khq h GLU 51 N 0.00 0.28 -0.52 6.66 5.08 -1.26 -3.11 114.58 121.71 2khq h GLU 51 Ca -0.00 -0.31 -0.01 0.00 -1.00 0.00 0.00 59.36 58.04 2khq h GLU 51 Cb 0.87 0.09 -0.03 0.00 0.50 0.00 0.00 28.75 30.18 2khq h GLU 51 CO 0.06 1.01 0.29 -0.92 -1.00 0.00 0.00 179.01 178.45 2khq h TYR 52 N -0.33 0.69 -0.05 4.33 3.20 -1.07 -0.18 116.97 123.56 2khq h TYR 52 Ca -0.05 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 61.85 2khq h TYR 52 Cb 1.17 -0.23 -0.05 0.00 1.54 0.00 0.00 36.73 39.16 2khq h TYR 52 CO 0.17 0.48 -0.22 0.37 -1.64 0.00 0.00 178.16 177.32 2khq h GLN 53 N 0.72 -0.31 -0.92 1.82 -0.00 -1.28 -2.12 115.11 113.01 2khq h GLN 53 Ca 0.19 0.02 0.01 0.00 -0.00 0.00 0.00 58.65 58.87 2khq h GLN 53 Cb 0.02 0.07 -0.05 0.00 0.00 0.00 0.00 27.48 27.52 2khq h GLN 53 CO -0.03 -0.21 0.61 0.87 0.00 0.00 0.00 178.83 180.07 2khq h LYS 54 N -0.32 1.21 -0.59 1.69 1.57 -1.23 -2.25 116.57 116.64 2khq h LYS 54 Ca 0.07 -0.07 0.08 0.00 -1.87 0.00 0.00 60.65 58.86 2khq h LYS 54 Cb 0.43 -0.27 -0.06 0.00 0.08 0.00 0.00 32.23 32.40 2khq h LYS 54 CO -0.23 0.80 0.26 0.35 -0.57 0.00 0.00 179.45 180.06 2khq h PHE 55 N 1.25 0.47 -0.07 -1.35 3.57 -0.61 -1.67 116.94 118.52 2khq h PHE 55 Ca 0.34 0.03 -0.16 0.00 3.53 0.00 0.00 57.97 61.71 2khq h PHE 55 Cb -0.14 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 38.47 2khq h PHE 55 CO -0.01 0.17 -0.64 -0.07 -2.23 0.00 0.00 178.31 175.53 2khq h LEU 56 N 0.48 0.32 0.10 0.59 3.38 -1.07 -2.37 115.31 116.73 2khq h LEU 56 Ca 0.29 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2khq h LEU 56 Cb 0.29 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 2khq h LEU 56 CO -0.25 0.87 -0.07 0.78 0.09 0.00 0.00 178.44 179.86 2khq h ASN 57 N 0.20 -0.19 0.27 -0.43 2.35 -0.75 0.23 115.58 117.26 2khq h ASN 57 Ca -0.01 0.02 -0.09 0.00 -0.55 0.00 0.00 56.30 55.66 2khq h ASN 57 Cb 1.16 0.06 -0.01 0.00 0.05 0.00 0.00 38.32 39.58 2khq h ASN 57 CO 0.10 -0.12 -0.38 -0.33 -1.65 0.00 0.00 177.43 175.05 2khq h GLU 58 N -0.18 0.16 -0.08 0.81 4.39 -1.33 -1.99 114.58 116.37 2khq h GLU 58 Ca -0.00 -0.07 -0.19 0.00 0.34 0.00 0.00 59.36 59.44 2khq h GLU 58 Cb 0.16 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 28.80 2khq h GLU 58 CO -0.01 0.52 -0.75 -0.92 -1.16 0.00 0.00 179.01 176.69 2khq h TYR 59 N 0.14 0.58 -0.00 4.33 3.20 -1.14 -2.94 116.97 121.14 2khq h TYR 59 Ca 0.01 -0.26 0.00 0.00 3.14 0.00 0.00 58.73 61.62 2khq h TYR 59 Cb 0.74 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 38.92 2khq h TYR 59 CO 0.01 1.03 -0.01 0.41 -1.64 0.00 0.00 178.16 177.96 2khq n GLY 60 N 0.60 -1.09 0.08 1.82 0.00 0.79 -0.51 105.19 106.88 2khq n GLY 60 Ca -0.05 -0.19 0.12 0.00 0.00 0.00 0.00 46.02 45.90 2khq n GLY 60 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2khq n LEU 61 N -1.08 0.73 -0.01 0.99 4.77 -0.79 -0.83 117.00 120.79 2khq n LEU 61 Ca 0.19 0.22 -0.01 0.00 -0.03 0.00 0.00 56.01 56.38 2khq n LEU 61 Cb 0.19 -0.11 -0.01 0.00 -2.33 0.00 0.00 43.42 41.16 2khq n LEU 61 CO 0.21 -0.09 -0.56 0.35 -1.33 0.00 0.00 177.39 175.96 2khq n THR 62 N -2.34 0.12 -4.22 -5.08 -2.24 -1.04 -4.18 114.28 95.30 2khq n THR 62 Ca 0.01 -0.07 -0.27 0.00 -2.27 0.00 0.00 64.05 61.46 2khq n THR 62 Cb 0.49 -0.85 -0.08 0.00 -2.10 0.00 0.00 70.33 67.79 2khq n THR 62 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2khq s HIS 63 N -2.04 2.82 0.95 4.78 3.76 0.33 -5.02 115.29 120.86 2khq s HIS 63 Ca -0.01 -0.15 -0.11 0.00 -0.15 0.00 0.00 55.06 54.64 2khq s HIS 63 Cb 0.01 -1.37 0.16 0.00 1.11 0.00 0.00 32.58 32.49 2khq s HIS 63 CO 0.07 0.52 1.10 -1.12 -0.85 0.00 0.00 174.74 174.45 2khq s SER 64 N -2.92 2.86 0.18 1.40 0.01 -1.26 -4.60 113.70 109.36 2khq s SER 64 Ca 0.27 1.77 -0.14 0.00 1.31 0.00 0.00 55.95 59.16 2khq s SER 64 Cb -0.09 -2.37 0.07 0.00 0.21 0.00 0.00 66.02 63.84 2khq s SER 64 CO 0.18 -3.07 1.83 0.22 0.41 0.00 0.00 173.24 172.81 2khq h TYR 65 N -1.85 0.72 -0.03 2.43 3.20 -1.96 -1.43 116.97 118.05 2khq h TYR 65 Ca -0.49 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.35 2khq h TYR 65 Cb 1.28 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 39.31 2khq h TYR 65 CO 0.43 0.47 -0.15 1.49 -1.64 0.00 0.00 178.16 178.76 2khq h GLU 66 N 0.75 0.04 -0.11 1.82 4.81 -1.98 0.31 114.58 120.22 2khq h GLU 66 Ca 0.20 -0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.37 2khq h GLU 66 Cb -0.05 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.32 2khq h GLU 66 CO -0.04 0.19 -0.15 1.15 -0.73 0.00 0.00 179.01 179.43 2khq h THR 67 N 0.04 1.37 -0.10 0.32 2.02 -1.64 -1.51 112.91 113.42 2khq h THR 67 Ca 0.01 -1.37 -0.16 0.00 0.77 0.00 0.00 66.41 65.66 2khq h THR 67 Cb 0.29 2.01 -0.01 0.00 -1.74 0.00 0.00 68.15 68.71 2khq h THR 67 CO 0.02 0.39 -0.61 -0.29 0.37 0.00 0.00 175.52 175.40 2khq h ILE 68 N -0.12 1.37 -0.05 3.11 2.10 -1.01 -2.19 117.51 120.73 2khq h ILE 68 Ca 0.01 -1.97 0.01 0.00 1.08 0.00 0.00 64.86 63.99 2khq h ILE 68 Cb 0.71 1.97 -0.01 0.00 -1.09 0.00 0.00 36.82 38.40 2khq h ILE 68 CO 0.04 0.59 -0.02 -0.09 -1.08 0.00 0.00 178.15 177.59 2khq h ARG 69 N 0.25 -0.01 -0.29 2.19 2.43 -0.35 0.11 114.38 118.71 2khq h ARG 69 Ca -0.01 0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 59.06 2khq h ARG 69 Cb 1.14 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.68 2khq h ARG 69 CO 0.10 -0.01 -0.27 1.57 -1.51 0.00 0.00 179.97 179.86 2khq h LYS 70 N -0.01 0.57 -0.09 0.20 2.10 -1.26 -1.97 116.57 116.11 2khq h LYS 70 Ca 0.03 -0.23 0.01 0.00 -2.00 0.00 0.00 60.65 58.45 2khq h LYS 70 Cb 0.05 -0.03 -0.01 0.00 -0.90 0.00 0.00 32.23 31.34 2khq h LYS 70 CO -0.06 0.79 0.03 1.25 -2.00 0.00 0.00 179.45 179.45 2khq h LEU 71 N 0.50 0.03 -0.73 7.07 5.85 -1.05 0.12 115.31 127.10 2khq h LEU 71 Ca 0.07 0.01 0.14 0.00 0.84 0.00 0.00 57.88 58.93 2khq h LEU 71 Cb 0.72 0.01 -0.09 0.00 0.37 0.00 0.00 40.66 41.67 2khq h LEU 71 CO 0.06 0.03 0.28 -1.13 -0.34 0.00 0.00 178.44 177.34 2khq h ASN 72 N 0.07 0.26 -0.53 1.25 -1.24 -0.51 0.12 115.58 115.00 2khq h ASN 72 Ca 0.04 0.11 -0.00 0.00 0.71 0.00 0.00 56.30 57.15 2khq h ASN 72 Cb 0.02 0.09 -0.03 0.00 0.73 0.00 0.00 38.32 39.13 2khq h ASN 72 CO -0.04 0.10 0.32 -1.28 -1.29 0.00 0.00 177.43 175.24 2khq h SER 73 N 0.43 0.64 -0.47 1.15 0.87 -0.67 0.01 113.55 115.52 2khq h SER 73 Ca 0.40 -0.06 -0.01 0.00 -1.23 0.00 0.00 61.79 60.88 2khq h SER 73 Cb 0.59 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 62.37 2khq h SER 73 CO -0.39 0.51 0.24 1.88 -0.53 0.00 0.00 176.83 178.54 2khq h TYR 74 N 0.72 0.67 -0.20 2.24 0.05 0.44 0.12 116.97 121.00 2khq h TYR 74 Ca 0.19 -0.03 0.02 0.00 0.05 0.00 0.00 58.73 58.96 2khq h TYR 74 Cb -0.01 -0.21 -0.02 0.00 1.01 0.00 0.00 36.73 37.50 2khq h TYR 74 CO -0.02 0.52 0.09 0.82 -1.05 0.00 0.00 178.16 178.51 2khq h ILE 75 N 0.62 0.98 -0.12 -2.88 1.08 -0.51 0.26 117.51 116.94 2khq h ILE 75 Ca 0.16 -0.07 0.01 0.00 -0.39 0.00 0.00 64.86 64.58 2khq h ILE 75 Cb 0.09 0.77 -0.01 0.00 -3.07 0.00 0.00 36.82 34.60 2khq h ILE 75 CO -0.02 0.04 0.04 0.03 -0.69 0.00 0.00 178.15 177.55 2khq h ARG 76 N 0.19 0.10 -0.71 2.37 3.08 -0.67 -0.85 114.38 117.89 2khq h ARG 76 Ca 0.08 -0.01 -0.06 0.00 0.07 0.00 0.00 59.98 60.07 2khq h ARG 76 Cb 0.03 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.03 2khq h ARG 76 CO -0.07 0.07 0.21 -0.91 -1.07 0.00 0.00 179.97 178.20 2khq h ASN 77 N 0.10 1.05 -0.27 7.04 4.21 -0.52 0.24 115.58 127.43 2khq h ASN 77 Ca 0.05 -0.21 -0.01 0.00 1.21 0.00 0.00 56.30 57.33 2khq h ASN 77 Cb 0.02 -0.28 -0.01 0.00 -1.12 0.00 0.00 38.32 36.94 2khq h ASN 77 CO -0.05 0.99 0.11 0.00 -1.29 0.00 0.00 177.43 177.19 2khq h ALA 78 N 1.10 0.35 -0.24 -0.83 0.00 -0.22 0.11 119.26 119.53 2khq h ALA 78 Ca 0.23 -0.11 -0.17 0.00 0.00 0.00 0.00 54.91 54.86 2khq h ALA 78 Cb 0.32 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 2khq h ALA 78 CO -0.01 -0.06 -0.54 0.74 0.00 0.00 0.00 179.25 179.38 2khq h PHE 79 N 0.29 0.89 -0.41 0.00 0.04 -1.02 -2.54 116.94 114.19 2khq h PHE 79 Ca 0.09 -0.31 -0.05 0.00 2.80 0.00 0.00 57.97 60.50 2khq h PHE 79 Cb 0.16 -0.17 -0.02 0.00 2.20 0.00 0.00 35.95 38.12 2khq h PHE 79 CO -0.01 1.09 0.05 0.22 -0.60 0.00 0.00 178.31 179.06 2khq h ASP 80 N 0.55 0.60 -0.10 2.17 3.58 -0.37 0.43 116.42 123.28 2khq h ASP 80 Ca 0.01 -0.11 -0.00 0.00 0.42 0.00 0.00 57.03 57.35 2khq h ASP 80 Cb 1.12 -0.16 -0.00 0.00 1.72 0.00 0.00 39.33 42.01 2khq h ASP 80 CO 0.11 0.64 0.06 -0.78 -2.88 0.00 0.00 179.24 176.39 2khq h ASP 81 N 0.61 0.13 -0.37 2.28 1.82 -0.66 0.11 116.42 120.34 2khq h ASP 81 Ca 0.13 -0.08 -0.06 0.00 -0.39 0.00 0.00 57.03 56.64 2khq h ASP 81 Cb 0.32 -0.03 -0.02 0.00 0.68 0.00 0.00 39.33 40.27 2khq h ASP 81 CO 0.01 0.17 0.05 0.00 -1.61 0.00 0.00 179.24 177.86 2khq h ALA 82 N 0.96 1.25 -0.28 -0.78 0.00 -0.99 -2.11 119.26 117.31 2khq h ALA 82 Ca 0.04 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.74 2khq h ALA 82 Cb 0.07 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 2khq h ALA 82 CO -0.01 0.51 0.17 0.82 0.00 0.00 0.00 179.25 180.75 2khq h ILE 83 N 0.68 1.04 -0.72 0.00 1.08 0.30 0.51 117.51 120.40 2khq h ILE 83 Ca 0.14 -0.12 -0.04 0.00 -0.39 0.00 0.00 64.86 64.46 2khq h ILE 83 Cb 0.34 0.66 -0.03 0.00 -3.07 0.00 0.00 36.82 34.72 2khq h ILE 83 CO 0.01 0.06 0.30 -0.74 -0.69 0.00 0.00 178.15 177.10 2khq h HIS 84 N 0.35 1.07 0.00 1.37 2.76 -0.39 -0.85 115.15 119.46 2khq h HIS 84 Ca 0.11 -0.06 0.00 0.00 -2.20 0.00 0.00 60.37 58.21 2khq h HIS 84 Cb -0.02 -0.33 0.00 0.00 1.55 0.00 0.00 27.41 28.62 2khq h HIS 84 CO -0.07 0.80 0.00 0.93 -1.30 0.00 0.00 177.93 178.29 2khq h GLU 85 N 1.04 0.00 0.00 5.26 4.39 -1.22 -3.47 114.58 120.58 2khq h GLU 85 Ca 0.24 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.94 2khq h GLU 85 Cb 0.17 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.82 2khq h GLU 85 CO -0.02 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.24 2khq n GLY 86 N 1.14 0.53 0.09 -3.84 0.00 -0.04 -4.96 105.19 98.10 2khq n GLY 86 Ca 0.05 -0.84 -0.05 0.00 0.00 0.00 0.00 46.02 45.17 2khq n GLY 86 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2khq n TYR 87 N -3.39 0.78 -4.33 1.61 9.36 0.16 -4.91 117.16 116.44 2khq n TYR 87 Ca 0.00 0.27 -0.25 0.00 3.32 0.00 0.00 57.90 61.24 2khq n TYR 87 Cb 0.30 -1.10 -0.12 0.00 -0.63 0.00 0.00 39.34 37.79 2khq n TYR 87 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 2khq s VAL 88 N -2.72 1.93 -0.07 2.97 0.11 -1.16 -4.93 120.40 116.54 2khq s VAL 88 Ca -0.05 -1.71 -0.27 0.00 -2.93 0.00 0.00 61.98 57.03 2khq s VAL 88 Cb 0.08 -1.77 -0.23 0.00 -1.53 0.00 0.00 36.38 32.93 2khq s VAL 88 CO 0.82 -0.07 1.07 -0.29 -3.33 0.00 0.00 175.10 173.30 2khq h ILE 89 N 3.81 1.55 -3.05 7.04 2.10 -1.92 -3.40 117.51 123.64 2khq h ILE 89 Ca -0.47 -1.67 -0.08 0.00 1.08 0.00 0.00 64.86 63.73 2khq h ILE 89 Cb 1.18 2.66 -0.16 0.00 -1.09 0.00 0.00 36.82 39.41 2khq h ILE 89 CO 0.42 0.44 -0.11 -0.54 -1.08 0.00 0.00 178.15 177.28 2khq s LYS 90 N -3.41 0.93 0.18 2.19 -0.14 -1.26 -5.04 119.74 113.19 2khq s LYS 90 Ca -0.17 -0.38 -0.30 0.00 -1.36 0.00 0.00 55.97 53.76 2khq s LYS 90 Cb 0.00 0.41 -0.08 0.00 -1.68 0.00 0.00 37.83 36.48 2khq s LYS 90 CO 0.69 -0.32 1.15 -0.80 -0.76 0.00 0.00 175.35 175.31 2khq s ASN 91 N -2.04 7.17 0.00 2.83 -0.87 -1.26 -4.92 114.94 115.85 2khq s ASN 91 Ca -0.05 2.16 0.26 0.00 -1.57 0.00 0.00 52.86 53.66 2khq s ASN 91 Cb -0.01 -2.61 1.52 0.00 -0.02 0.00 0.00 41.25 40.14 2khq s ASN 91 CO -0.03 -0.30 1.90 -0.81 -2.57 0.00 0.00 177.10 175.29 2khq n PRO 92 N 2.43 0.83 -2.24 -0.60 -0.04 -1.26 -4.61 135.00 129.52 2khq n PRO 92 Ca 0.03 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.17 2khq n PRO 92 Cb 0.45 -1.48 -0.04 0.00 -0.04 0.00 0.00 33.50 32.39 2khq n PRO 92 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2khq s THR 93 N -2.00 3.66 0.03 0.52 -4.23 -1.26 -4.53 115.64 107.84 2khq s THR 93 Ca 0.38 -0.76 -0.01 0.00 -1.18 0.00 0.00 61.69 60.13 2khq s THR 93 Cb 0.18 -4.52 -0.00 0.00 1.34 0.00 0.00 72.50 69.50 2khq s THR 93 CO 0.30 -1.32 -0.02 0.00 -0.54 0.00 0.00 174.62 173.04 2khq n TYR 94 N 12.20 0.00 -1.58 3.99 9.36 -1.26 -4.79 117.16 135.07 2khq n TYR 94 Ca 0.40 0.00 -0.16 0.00 3.32 0.00 0.00 57.90 61.46 2khq n TYR 94 Cb 0.48 -0.03 0.13 0.00 -0.63 0.00 0.00 39.34 39.29 2khq n TYR 94 CO 0.00 0.00 0.00 0.36 0.22 0.00 0.00 176.86 177.44 2khq n LYS 95 N -3.02 2.48 -2.65 2.98 2.85 -1.26 -4.91 118.16 114.63 2khq n LYS 95 Ca -0.01 -3.47 -0.43 0.00 -1.05 0.00 0.00 58.31 53.35 2khq n LYS 95 Cb 0.03 -2.04 0.00 0.00 -0.65 0.00 0.00 35.03 32.37 2khq n LYS 95 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2khq n ALA 96 N -0.98 3.62 -2.79 0.58 0.00 -1.26 -4.85 120.51 114.82 2khq n ALA 96 Ca 0.43 -3.93 -0.36 0.00 0.00 0.00 0.00 53.44 49.58 2khq n ALA 96 Cb 0.98 -3.50 -0.08 0.00 0.00 0.00 0.00 19.45 16.85 2khq n ALA 96 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2khq s GLU 97 N 3.72 3.82 -0.36 0.00 2.02 -1.26 -5.06 118.70 121.58 2khq s GLU 97 Ca 0.52 -0.23 -0.25 0.00 0.02 0.00 0.00 54.97 55.03 2khq s GLU 97 Cb 0.03 -3.26 0.01 0.00 0.10 0.00 0.00 34.13 31.01 2khq s GLU 97 CO 0.07 0.48 0.88 -0.51 0.02 0.00 0.00 175.26 176.20 2khq s LEU 98 N -0.19 4.04 -0.25 1.80 1.43 -1.26 -4.92 118.68 119.33 2khq s LEU 98 Ca 0.10 0.55 -0.03 0.00 -1.03 0.00 0.00 54.13 53.71 2khq s LEU 98 Cb -0.12 -3.19 0.10 0.00 0.03 0.00 0.00 46.19 43.01 2khq s LEU 98 CO 0.01 -0.80 0.18 -2.28 0.23 0.00 0.00 176.35 173.68 2khq s HIS 99 N 3.33 -0.00 -0.23 0.29 2.46 -1.26 -5.12 115.29 114.75 2khq s HIS 99 Ca 0.36 -0.39 -0.28 0.00 0.47 0.00 0.00 55.06 55.23 2khq s HIS 99 Cb -0.12 -0.65 0.01 0.00 -0.13 0.00 0.00 32.58 31.68 2khq s HIS 99 CO 0.17 -0.74 0.98 0.00 -2.47 0.00 0.00 174.74 172.68 2khq s ALA 100 N 2.21 3.68 -0.23 1.58 0.00 -1.26 -4.77 121.76 122.97 2khq s ALA 100 Ca 0.07 0.08 0.10 0.00 0.00 0.00 0.00 51.96 52.22 2khq s ALA 100 Cb -0.15 -3.47 0.43 0.00 0.00 0.00 0.00 23.12 19.92 2khq s ALA 100 CO -0.26 -1.02 1.22 0.43 0.00 0.00 0.00 175.76 176.13 2khq n SER 101 N 6.24 2.58 0.26 0.00 7.64 -0.01 -4.74 113.62 125.59 2khq n SER 101 Ca 0.10 -3.87 0.15 0.00 1.01 0.00 0.00 58.87 56.26 2khq n SER 101 Cb 0.46 -0.48 0.56 0.00 -1.01 0.00 0.00 64.21 63.74 2khq n SER 101 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 2khq h VAL 102 N 1.31 0.16 -4.28 0.44 2.07 -1.71 -3.45 116.25 110.79 2khq h VAL 102 Ca 0.10 -0.75 -0.57 0.00 0.82 0.00 0.00 66.70 66.30 2khq h VAL 102 Cb 1.15 1.64 -0.28 0.00 -1.52 0.00 0.00 31.29 32.29 2khq h VAL 102 CO 0.21 0.06 -0.84 -1.48 0.02 0.00 0.00 177.57 175.54 2khq s LEU 103 N -6.35 2.09 0.23 2.57 0.05 -1.26 -4.98 118.68 111.03 2khq s LEU 103 Ca 0.02 -0.42 0.10 0.00 0.05 0.00 0.00 54.13 53.88 2khq s LEU 103 Cb 0.09 -0.97 -0.05 0.00 -2.05 0.00 0.00 46.19 43.21 2khq s LEU 103 CO 0.58 0.20 -0.19 -0.70 -0.55 0.00 0.00 176.35 175.70 2khq s GLU 104 N -0.76 1.51 0.62 1.48 2.56 -1.26 -5.12 118.70 117.72 2khq s GLU 104 Ca 0.07 -1.64 -0.18 0.00 0.00 0.00 0.00 54.97 53.22 2khq s GLU 104 Cb -0.08 -1.53 -0.04 0.00 2.00 0.00 0.00 34.13 34.48 2khq s GLU 104 CO 0.00 0.29 1.01 0.72 -0.56 0.00 0.00 175.26 176.72 2khq n HIS 105 N -0.33 0.97 -0.95 5.30 8.25 -1.26 -4.79 115.22 122.41 2khq n HIS 105 Ca -0.08 0.43 -0.16 0.00 -0.26 0.00 0.00 57.72 57.65 2khq n HIS 105 Cb 0.59 -2.15 -0.12 0.00 1.12 0.00 0.00 29.99 29.43 2khq n HIS 105 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2khq n HIS 106 N -1.84 0.49 0.42 4.41 -0.00 -1.26 -4.37 115.22 113.07 2khq n HIS 106 Ca 0.14 -1.66 0.12 0.00 0.46 0.00 0.00 57.72 56.78 2khq n HIS 106 Cb 0.48 -1.65 0.21 0.00 -0.12 0.00 0.00 29.99 28.91 2khq n HIS 106 CO 0.00 0.00 0.00 1.12 0.46 0.00 0.00 176.34 177.92 2khq h HIS 107 N 3.80 0.00 -4.01 1.57 2.07 -2.07 -3.43 115.15 113.08 2khq h HIS 107 Ca 0.31 0.00 -0.58 0.00 -2.85 0.00 0.00 60.37 57.24 2khq h HIS 107 Cb 1.10 0.00 -0.31 0.00 2.57 0.00 0.00 27.41 30.77 2khq h HIS 107 CO 1.75 0.00 -0.85 -1.58 -3.07 0.00 0.00 177.93 174.18 2khq s HIS 108 N -3.19 1.82 -0.16 6.12 5.04 -1.26 -5.13 115.29 118.53 2khq s HIS 108 Ca 0.07 -0.49 -0.02 0.00 -1.54 0.00 0.00 55.06 53.08 2khq s HIS 108 Cb 0.10 -1.21 -0.02 0.00 0.04 0.00 0.00 32.58 31.50 2khq s HIS 108 CO 0.68 -0.15 -0.09 -1.58 -2.34 0.00 0.00 174.74 171.27 2khq s HIS 109 N -0.09 2.89 -2.90 3.88 2.46 -1.26 -5.15 115.29 115.12 2khq s HIS 109 Ca -0.02 -0.65 0.25 0.00 0.47 0.00 0.00 55.06 55.11 2khq s HIS 109 Cb -0.11 -1.93 0.36 0.00 -0.13 0.00 0.00 32.58 30.77 2khq s HIS 109 CO 0.02 -0.26 1.36 1.58 -2.47 0.00 0.00 174.74 174.97