#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 3.92 0.61 1.12 2.07 -1.26 -4.99 121.20 122.67 2khq s ILE 2 Ca 0.00 1.70 -0.10 0.00 -1.41 0.00 0.00 60.65 60.85 2khq s ILE 2 Cb 0.00 -4.09 -0.02 0.00 0.13 0.00 0.00 42.46 38.48 2khq s ILE 2 CO 0.00 0.31 0.99 0.42 -1.91 0.00 0.00 174.94 174.76 2khq s THR 3 N -0.41 4.41 0.21 4.00 -4.23 -1.26 -2.52 115.64 115.83 2khq s THR 3 Ca 0.48 0.61 -0.09 0.00 -1.18 0.00 0.00 61.69 61.51 2khq s THR 3 Cb -0.29 -3.76 0.15 0.00 1.34 0.00 0.00 72.50 69.95 2khq s THR 3 CO 0.35 -0.94 1.79 0.15 -0.54 0.00 0.00 174.62 175.43 2khq h PHE 4 N -0.28 1.12 -0.12 3.99 3.57 -0.47 0.18 116.94 124.93 2khq h PHE 4 Ca -0.45 -0.06 -0.00 0.00 3.53 0.00 0.00 57.97 60.99 2khq h PHE 4 Cb 1.21 -0.35 -0.01 0.00 2.79 0.00 0.00 35.95 39.60 2khq h PHE 4 CO 0.60 0.83 0.06 0.00 -2.23 0.00 0.00 178.31 177.57 2khq h ALA 5 N 1.18 0.15 -0.51 2.41 0.00 -1.77 0.10 119.26 120.82 2khq h ALA 5 Ca 0.26 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 55.02 2khq h ALA 5 Cb 0.14 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2khq h ALA 5 CO -0.03 -0.30 -0.06 0.22 0.00 0.00 0.00 179.25 179.07 2khq h ASP 6 N 0.08 0.90 0.19 0.00 3.58 -1.86 -2.72 116.42 116.59 2khq h ASP 6 Ca 0.04 -0.27 -0.01 0.00 0.42 0.00 0.00 57.03 57.22 2khq h ASP 6 Cb 0.09 -0.24 0.00 0.00 1.72 0.00 0.00 39.33 40.90 2khq h ASP 6 CO -0.01 1.00 -0.09 0.22 -2.88 0.00 0.00 179.24 177.48 2khq h TYR 7 N 0.83 -0.24 -0.52 0.28 3.20 -0.42 -1.63 116.97 118.48 2khq h TYR 7 Ca 0.14 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.07 2khq h TYR 7 Cb 0.58 0.08 -0.06 0.00 1.54 0.00 0.00 36.73 38.87 2khq h TYR 7 CO 0.04 0.03 0.21 0.35 -1.64 0.00 0.00 178.16 177.15 2khq h PHE 8 N -0.49 0.38 -0.25 -3.82 3.57 -0.75 0.34 116.94 115.93 2khq h PHE 8 Ca -0.03 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.45 2khq h PHE 8 Cb 0.37 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.01 2khq h PHE 8 CO 0.00 0.14 -0.04 -0.92 -2.23 0.00 0.00 178.31 175.26 2khq h TYR 9 N 0.41 0.52 -0.22 0.41 3.20 -1.50 -1.79 116.97 118.01 2khq h TYR 9 Ca 0.25 -0.11 -0.00 0.00 3.14 0.00 0.00 58.73 62.01 2khq h TYR 9 Cb 0.24 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.37 2khq h TYR 9 CO -0.14 0.67 0.13 0.37 -1.64 0.00 0.00 178.16 177.55 2khq h GLN 10 N 0.22 0.30 -0.63 1.82 4.15 -0.79 0.94 115.11 121.12 2khq h GLN 10 Ca 0.07 -0.03 0.09 0.00 0.77 0.00 0.00 58.65 59.55 2khq h GLN 10 Cb 0.49 -0.06 -0.07 0.00 0.21 0.00 0.00 27.48 28.05 2khq h GLN 10 CO 0.02 0.24 0.27 2.35 -1.93 0.00 0.00 178.83 179.78 2khq h TRP 11 N 0.27 0.47 0.03 3.99 7.01 -0.26 -0.71 115.95 126.75 2khq h TRP 11 Ca 0.08 0.03 -0.00 0.00 2.11 0.00 0.00 58.89 61.11 2khq h TRP 11 Cb 0.02 -0.12 0.00 0.00 -2.10 0.00 0.00 29.16 26.96 2khq h TRP 11 CO -0.05 0.15 -0.02 -0.92 -2.79 0.00 0.00 178.44 174.82 2khq h TYR 12 N 0.47 -0.04 -0.85 2.65 3.20 -1.00 -2.19 116.97 119.21 2khq h TYR 12 Ca 0.31 -0.00 0.14 0.00 3.14 0.00 0.00 58.73 62.32 2khq h TYR 12 Cb 0.35 0.01 -0.06 0.00 1.54 0.00 0.00 36.73 38.57 2khq h TYR 12 CO -0.14 0.24 0.55 0.93 -1.64 0.00 0.00 178.16 178.10 2khq h GLU 13 N -0.32 0.61 0.04 1.82 4.39 -0.24 -1.55 114.58 119.34 2khq h GLU 13 Ca -0.00 -0.04 -0.26 0.00 0.34 0.00 0.00 59.36 59.40 2khq h GLU 13 Cb 0.30 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 28.79 2khq h GLU 13 CO 0.01 0.41 -1.28 0.28 -1.16 0.00 0.00 179.01 177.26 2khq h VAL 14 N 0.63 1.40 0.00 3.13 2.07 -1.13 -3.40 116.25 118.96 2khq h VAL 14 Ca 0.42 -3.10 0.00 0.00 0.82 0.00 0.00 66.70 64.84 2khq h VAL 14 Cb 0.73 2.76 0.00 0.00 -1.52 0.00 0.00 31.29 33.26 2khq h VAL 14 CO -0.18 0.84 0.00 0.59 0.02 0.00 0.00 177.57 178.84 2khq n ASN 15 N -3.34 0.00 0.13 0.57 3.02 -0.67 -4.77 115.26 110.20 2khq n ASN 15 Ca -0.08 0.00 0.13 0.00 -0.03 0.00 0.00 54.58 54.60 2khq n ASN 15 Cb 1.00 -0.12 0.37 0.00 -0.61 0.00 0.00 39.78 40.42 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 0.00 0.00 -0.27 3.52 6.56 -1.55 -3.37 116.57 121.47 2khq h LYS 16 Ca 0.00 0.00 0.06 0.00 -1.06 0.00 0.00 60.65 59.65 2khq h LYS 16 Cb 0.00 0.00 -0.08 0.00 -0.57 0.00 0.00 32.23 31.58 2khq h LYS 16 CO 0.00 0.00 -0.35 1.25 -2.06 0.00 0.00 179.45 178.29 2khq h LEU 17 N 0.00 -1.12 -0.20 2.94 5.85 -1.59 0.79 115.31 121.98 2khq h LEU 17 Ca 0.00 0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.90 2khq h LEU 17 Cb 0.77 0.49 0.00 0.00 0.37 0.00 0.00 40.66 42.29 2khq h LEU 17 CO 0.00 -0.35 0.00 -0.81 -0.34 0.00 0.00 178.44 176.94 2khq n PRO 18 N -5.42 1.11 0.00 5.25 -0.04 -1.26 -3.84 135.00 130.80 2khq n PRO 18 Ca -0.01 -0.16 0.00 0.00 -0.04 0.00 0.00 63.50 63.29 2khq n PRO 18 Cb 0.34 -1.05 0.00 0.00 -0.04 0.00 0.00 33.50 32.74 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 -0.36 0.00 -2.49 0.54 8.25 -0.36 -5.06 115.22 115.74 2khq n HIS 19 Ca 0.01 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.17 2khq n HIS 19 Cb 0.05 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.14 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 -1.99 4.75 0.66 1.59 -7.23 0.13 -5.08 120.40 113.23 2khq s VAL 20 Ca 0.00 0.69 -0.05 0.00 -1.81 0.00 0.00 61.98 60.82 2khq s VAL 20 Cb 0.00 -3.79 0.05 0.00 0.56 0.00 0.00 36.38 33.20 2khq s VAL 20 CO 0.00 -0.78 0.95 -0.44 -0.31 0.00 0.00 175.10 174.53 2khq s SER 21 N -3.60 4.99 0.54 4.85 0.01 -1.26 -4.91 113.70 114.32 2khq s SER 21 Ca 0.53 0.39 0.29 0.00 1.31 0.00 0.00 55.95 58.47 2khq s SER 21 Cb -0.10 -1.12 1.56 0.00 0.21 0.00 0.00 66.02 66.56 2khq s SER 21 CO 0.40 -1.45 2.11 -0.33 0.41 0.00 0.00 173.24 174.38 2khq h GLU 22 N -0.42 0.00 -0.71 12.44 5.08 -1.98 -0.34 114.58 128.66 2khq h GLU 22 Ca -0.44 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 57.92 2khq h GLU 22 Cb 1.31 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.52 2khq h GLU 22 CO 0.59 0.09 0.44 0.77 -1.00 0.00 0.00 179.01 179.90 2khq h SER 23 N 0.00 0.84 0.34 1.42 0.02 -2.01 -1.57 113.55 112.59 2khq h SER 23 Ca -0.00 -0.05 -0.15 0.00 -0.84 0.00 0.00 61.79 60.75 2khq h SER 23 Cb 0.28 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.60 2khq h SER 23 CO 0.01 0.65 -0.61 0.74 -1.14 0.00 0.00 176.83 176.47 2khq h THR 24 N 0.97 1.38 -0.66 -2.27 2.02 -1.49 -2.97 112.91 109.89 2khq h THR 24 Ca 0.26 -1.99 0.03 0.00 0.77 0.00 0.00 66.41 65.48 2khq h THR 24 Cb -0.05 2.00 -0.04 0.00 -1.74 0.00 0.00 68.15 68.32 2khq h THR 24 CO -0.05 0.59 0.44 0.11 0.37 0.00 0.00 175.52 176.98 2khq h LYS 25 N 0.20 0.79 -0.79 6.66 1.57 -0.67 -1.26 116.57 123.06 2khq h LYS 25 Ca -0.01 -0.05 0.04 0.00 -1.87 0.00 0.00 60.65 58.76 2khq h LYS 25 Cb 1.13 -0.18 -0.05 0.00 0.08 0.00 0.00 32.23 33.21 2khq h LYS 25 CO 0.10 0.52 0.50 0.00 -0.57 0.00 0.00 179.45 180.00 2khq h ARG 26 N 0.81 0.94 -0.07 3.15 3.08 -1.13 0.32 114.38 121.48 2khq h ARG 26 Ca 0.26 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 60.24 2khq h ARG 26 Cb 0.03 -0.21 -0.00 0.00 0.08 0.00 0.00 29.97 29.87 2khq h ARG 26 CO -0.07 0.62 -0.02 0.45 -1.07 0.00 0.00 179.97 179.88 2khq h HIS 27 N 0.97 0.15 -0.69 3.04 3.86 -1.36 -0.30 115.15 120.82 2khq h HIS 27 Ca 0.32 -0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.47 2khq h HIS 27 Cb 0.03 -0.04 -0.03 0.00 1.06 0.00 0.00 27.41 28.43 2khq h HIS 27 CO -0.03 0.48 0.32 1.88 0.86 0.00 0.00 177.93 181.44 2khq h TYR 28 N -0.23 1.01 -0.03 2.45 0.05 -0.94 0.11 116.97 119.39 2khq h TYR 28 Ca 0.02 -0.06 -0.18 0.00 0.05 0.00 0.00 58.73 58.56 2khq h TYR 28 Cb 0.44 -0.31 -0.01 0.00 1.01 0.00 0.00 36.73 37.86 2khq h TYR 28 CO 0.06 0.76 -0.77 0.93 -1.05 0.00 0.00 178.16 178.09 2khq h GLU 29 N 0.97 0.24 -0.43 4.88 5.08 -0.39 0.16 114.58 125.09 2khq h GLU 29 Ca 0.24 -0.22 -0.06 0.00 -1.00 0.00 0.00 59.36 58.32 2khq h GLU 29 Cb 0.14 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 2khq h GLU 29 CO -0.03 0.90 0.05 1.03 -1.00 0.00 0.00 179.01 179.96 2khq h SER 30 N 0.16 0.70 -0.32 1.42 0.87 -0.79 0.11 113.55 115.70 2khq h SER 30 Ca -0.03 -0.28 0.02 0.00 -1.23 0.00 0.00 61.79 60.27 2khq h SER 30 Cb 1.35 -0.19 -0.03 0.00 -0.44 0.00 0.00 62.40 63.10 2khq h SER 30 CO 0.12 0.80 0.17 0.00 -0.53 0.00 0.00 176.83 177.39 2khq h ALA 31 N 0.93 0.39 -0.63 6.23 0.00 -0.61 -2.78 119.26 122.80 2khq h ALA 31 Ca 0.13 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 2khq h ALA 31 Cb 0.41 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 2khq h ALA 31 CO 0.01 -0.21 0.14 -0.92 0.00 0.00 0.00 179.25 178.27 2khq h TYR 32 N 0.34 1.07 -0.56 0.00 3.20 -0.41 -0.12 116.97 120.49 2khq h TYR 32 Ca 0.13 -0.13 -0.05 0.00 3.14 0.00 0.00 58.73 61.81 2khq h TYR 32 Cb 0.04 -0.30 -0.03 0.00 1.54 0.00 0.00 36.73 37.98 2khq h TYR 32 CO -0.09 0.90 0.13 1.57 -1.64 0.00 0.00 178.16 179.02 2khq h LYS 33 N 0.93 0.86 -0.09 1.82 2.10 -0.68 0.41 116.57 121.92 2khq h LYS 33 Ca 0.20 -0.18 -0.20 0.00 -2.00 0.00 0.00 60.65 58.47 2khq h LYS 33 Cb 0.38 -0.13 -0.00 0.00 -0.90 0.00 0.00 32.23 31.58 2khq h LYS 33 CO 0.00 0.78 -0.75 0.45 -2.00 0.00 0.00 179.45 177.94 2khq h HIS 34 N 0.83 0.68 -0.27 0.07 3.86 -1.24 -1.65 115.15 117.43 2khq h HIS 34 Ca 0.18 -0.30 -0.01 0.00 -1.16 0.00 0.00 60.37 59.08 2khq h HIS 34 Cb 0.31 -0.10 -0.01 0.00 1.06 0.00 0.00 27.41 28.67 2khq h HIS 34 CO 0.02 1.08 0.13 0.82 0.86 0.00 0.00 177.93 180.84 2khq h ILE 35 N 0.34 1.15 0.00 2.45 2.04 -0.48 -0.56 117.51 122.45 2khq h ILE 35 Ca -0.04 -0.44 -0.03 0.00 1.00 0.00 0.00 64.86 65.35 2khq h ILE 35 Cb 1.34 0.94 -0.00 0.00 -0.74 0.00 0.00 36.82 38.35 2khq h ILE 35 CO 0.14 0.15 -0.14 0.50 0.00 0.00 0.00 178.15 178.80 2khq h LYS 36 N 0.31 0.00 0.14 2.37 3.64 -0.16 0.56 116.57 123.42 2khq h LYS 36 Ca 0.09 0.00 -0.28 0.00 -1.27 0.00 0.00 60.65 59.20 2khq h LYS 36 Cb 0.13 0.00 0.03 0.00 -0.41 0.00 0.00 32.23 31.98 2khq h LYS 36 CO -0.01 0.14 -1.17 0.22 -2.27 0.00 0.00 179.45 176.35 2khq h ASP 37 N 0.00 0.79 0.13 4.20 3.58 -0.89 -3.28 116.42 120.95 2khq h ASP 37 Ca -0.00 -0.85 -0.25 0.00 0.42 0.00 0.00 57.03 56.35 2khq h ASP 37 Cb 0.25 -0.25 0.01 0.00 1.72 0.00 0.00 39.33 41.06 2khq h ASP 37 CO 0.02 1.57 -1.23 0.45 -2.88 0.00 0.00 179.24 177.17 2khq h HIS 38 N 0.13 0.52 -3.38 0.28 3.86 -0.88 -3.41 115.15 112.27 2khq h HIS 38 Ca -0.18 -0.38 -0.67 0.00 -1.16 0.00 0.00 60.37 57.97 2khq h HIS 38 Cb 1.87 -0.02 -0.38 0.00 1.06 0.00 0.00 27.41 29.94 2khq h HIS 38 CO 0.13 1.48 -0.39 -0.06 0.86 0.00 0.00 177.93 179.94 2khq s PHE 39 N -2.47 3.50 -0.00 2.45 0.08 0.19 -4.90 117.98 116.82 2khq s PHE 39 Ca -0.17 -3.00 -0.14 0.00 0.12 0.00 0.00 56.93 53.74 2khq s PHE 39 Cb 0.03 -3.04 -0.34 0.00 -0.57 0.00 0.00 43.02 39.10 2khq s PHE 39 CO 0.80 -0.74 0.86 0.00 -0.10 0.00 0.00 175.22 176.04 2khq h ARG 40 N 6.38 0.49 0.00 0.44 3.08 -1.75 -3.39 114.38 119.62 2khq h ARG 40 Ca 0.04 -0.83 -0.04 0.00 0.07 0.00 0.00 59.98 59.22 2khq h ARG 40 Cb 0.87 0.31 -0.09 0.00 0.08 0.00 0.00 29.97 31.14 2khq h ARG 40 CO 0.74 1.40 -0.55 1.58 -1.07 0.00 0.00 179.97 182.07 2khq n HIS 41 N -3.67 0.00 -2.60 3.04 -0.00 -1.26 -4.92 115.22 105.81 2khq n HIS 41 Ca -0.20 -0.34 -0.42 0.00 0.46 0.00 0.00 57.72 57.22 2khq n HIS 41 Cb 1.10 -0.10 -0.03 0.00 -0.12 0.00 0.00 29.99 30.84 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 -0.60 4.46 0.82 1.57 2.47 -1.26 -4.95 119.74 122.25 2khq s LYS 42 Ca 0.14 1.54 -0.11 0.00 -1.56 0.00 0.00 55.97 55.98 2khq s LYS 42 Cb 0.15 -3.47 0.09 0.00 -1.46 0.00 0.00 37.83 33.13 2khq s LYS 42 CO -0.04 -0.23 1.10 -0.51 0.16 0.00 0.00 175.35 175.83 2khq s LEU 43 N 1.46 2.82 0.40 5.43 1.43 -1.26 0.13 118.68 129.09 2khq s LEU 43 Ca 0.53 1.80 0.12 0.00 -1.03 0.00 0.00 54.13 55.55 2khq s LEU 43 Cb -0.23 -4.39 0.82 0.00 0.03 0.00 0.00 46.19 42.42 2khq s LEU 43 CO 0.25 -2.32 1.91 0.25 0.23 0.00 0.00 176.35 176.67 2khq h LEU 44 N -1.33 0.10 -0.24 1.79 5.85 -1.73 -1.63 115.31 118.13 2khq h LEU 44 Ca -0.45 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.25 2khq h LEU 44 Cb 1.25 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.25 2khq h LEU 44 CO 0.51 0.33 -0.11 2.29 -0.34 0.00 0.00 178.44 181.11 2khq n LYS 45 N -4.23 0.68 -0.33 1.25 2.85 -1.26 -3.54 118.16 113.57 2khq n LYS 45 Ca -0.02 -0.24 0.11 0.00 -1.05 0.00 0.00 58.31 57.11 2khq n LYS 45 Cb 0.31 -1.50 0.29 0.00 -0.65 0.00 0.00 35.03 33.48 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 -0.96 3.76 -4.39 -5.58 2.03 -0.62 -4.77 116.55 106.03 2khq n ASP 46 Ca 0.14 -2.00 -0.45 0.00 0.52 0.00 0.00 54.79 53.01 2khq n ASP 46 Cb 0.28 -0.44 -0.04 0.00 -0.72 0.00 0.00 41.12 40.21 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 -1.01 4.88 0.44 5.18 -1.09 -1.22 -4.85 121.20 123.53 2khq s ILE 47 Ca 0.44 -1.31 -0.20 0.00 -2.23 0.00 0.00 60.65 57.35 2khq s ILE 47 Cb 0.23 -4.57 -0.10 0.00 -1.58 0.00 0.00 42.46 36.43 2khq s ILE 47 CO 0.30 -1.23 0.96 -0.54 -1.23 0.00 0.00 174.94 173.20 2khq s LYS 48 N 2.41 4.16 0.36 2.79 3.01 -1.26 -4.21 119.74 127.00 2khq s LYS 48 Ca 0.18 1.12 0.06 0.00 -1.01 0.00 0.00 55.97 56.33 2khq s LYS 48 Cb -0.17 -2.17 0.70 0.00 -1.01 0.00 0.00 37.83 35.19 2khq s LYS 48 CO 0.00 -0.09 1.93 0.07 0.51 0.00 0.00 175.35 177.77 2khq h ARG 49 N 1.77 0.48 -0.27 1.68 0.11 -1.92 0.15 114.38 116.37 2khq h ARG 49 Ca -0.49 -0.08 -0.07 0.00 0.10 0.00 0.00 59.98 59.44 2khq h ARG 49 Cb 1.18 -0.08 -0.01 0.00 1.11 0.00 0.00 29.97 32.18 2khq h ARG 49 CO 0.61 0.47 -0.12 1.79 0.10 0.00 0.00 179.97 182.82 2khq h THR 50 N 0.47 1.29 -0.57 0.08 1.35 -1.98 -2.56 112.91 111.00 2khq h THR 50 Ca 0.11 -1.20 -0.05 0.00 -0.55 0.00 0.00 66.41 64.72 2khq h THR 50 Cb 0.23 1.50 -0.03 0.00 -1.73 0.00 0.00 68.15 68.12 2khq h THR 50 CO 0.00 0.38 0.15 -0.08 -0.25 0.00 0.00 175.52 175.72 2khq h GLU 51 N 0.30 0.87 -0.65 4.72 4.57 -1.81 -2.64 114.58 119.94 2khq h GLU 51 Ca 0.06 -0.18 -0.02 0.00 -1.18 0.00 0.00 59.36 58.04 2khq h GLU 51 Cb 0.62 -0.13 -0.03 0.00 -0.16 0.00 0.00 28.75 29.05 2khq h GLU 51 CO 0.04 0.77 0.31 -0.92 -1.18 0.00 0.00 179.01 178.03 2khq h TYR 52 N 0.84 0.92 -0.76 0.92 3.20 -0.60 -2.04 116.97 119.45 2khq h TYR 52 Ca 0.19 -0.03 0.03 0.00 3.14 0.00 0.00 58.73 62.05 2khq h TYR 52 Cb 0.29 -0.29 -0.04 0.00 1.54 0.00 0.00 36.73 38.23 2khq h TYR 52 CO 0.02 0.67 0.50 0.37 -1.64 0.00 0.00 178.16 178.09 2khq h GLN 53 N 0.92 0.93 -0.34 1.82 5.75 -1.07 -0.97 115.11 122.16 2khq h GLN 53 Ca 0.23 -0.06 -0.11 0.00 -0.15 0.00 0.00 58.65 58.56 2khq h GLN 53 Cb 0.10 -0.21 -0.01 0.00 1.07 0.00 0.00 27.48 28.43 2khq h GLN 53 CO -0.03 0.62 -0.23 0.87 -2.65 0.00 0.00 178.83 177.41 2khq h LYS 54 N 0.96 0.66 -0.02 1.69 6.56 -1.38 0.17 116.57 125.22 2khq h LYS 54 Ca 0.30 -0.26 -0.00 0.00 -1.06 0.00 0.00 60.65 59.63 2khq h LYS 54 Cb 0.00 -0.03 -0.00 0.00 -0.57 0.00 0.00 32.23 31.63 2khq h LYS 54 CO -0.08 0.84 0.01 0.35 -2.06 0.00 0.00 179.45 178.51 2khq h PHE 55 N 0.58 0.03 -0.88 -1.35 3.57 -0.96 -1.31 116.94 116.62 2khq h PHE 55 Ca 0.08 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.57 2khq h PHE 55 Cb 0.71 -0.01 -0.04 0.00 2.79 0.00 0.00 35.95 39.40 2khq h PHE 55 CO 0.03 0.13 0.50 -0.07 -2.23 0.00 0.00 178.31 176.67 2khq h LEU 56 N -0.08 1.08 0.53 0.59 3.38 -1.06 -2.05 115.31 117.70 2khq h LEU 56 Ca 0.01 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 2khq h LEU 56 Cb 0.11 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 2khq h LEU 56 CO -0.00 0.85 -0.37 -1.13 0.09 0.00 0.00 178.44 177.89 2khq h ASN 57 N 1.22 -0.94 -0.79 -0.43 -0.73 -0.27 0.38 115.58 114.01 2khq h ASN 57 Ca 0.31 0.06 -0.03 0.00 1.87 0.00 0.00 56.30 58.51 2khq h ASN 57 Cb -0.00 0.29 -0.04 0.00 0.27 0.00 0.00 38.32 38.84 2khq h ASN 57 CO -0.05 -0.55 0.36 -0.08 -0.37 0.00 0.00 177.43 176.74 2khq h GLU 58 N -0.86 1.16 -0.22 6.67 4.81 -1.22 -1.66 114.58 123.25 2khq h GLU 58 Ca -0.06 -0.18 -0.01 0.00 -0.13 0.00 0.00 59.36 58.98 2khq h GLU 58 Cb 0.72 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.88 2khq h GLU 58 CO 0.03 0.91 0.09 -0.92 -0.73 0.00 0.00 179.01 178.40 2khq h TYR 59 N 1.15 0.33 -0.10 0.92 5.03 -1.08 -2.97 116.97 120.25 2khq h TYR 59 Ca 0.27 -0.02 -0.08 0.00 2.58 0.00 0.00 58.73 61.48 2khq h TYR 59 Cb 0.15 -0.10 -0.01 0.00 1.55 0.00 0.00 36.73 38.31 2khq h TYR 59 CO 0.02 0.35 -0.31 0.78 -1.32 0.00 0.00 178.16 177.68 2khq h GLY 60 N 0.21 0.21 2.00 1.82 0.00 0.04 -1.70 103.07 105.65 2khq h GLY 60 Ca 0.07 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.23 2khq h GLY 60 CO -0.01 0.16 0.00 1.04 0.00 0.00 0.00 176.54 177.73 2khq n LEU 61 N -4.12 0.45 0.00 3.11 4.77 -0.65 -2.59 117.00 117.97 2khq n LEU 61 Ca -0.01 0.61 0.00 0.00 -0.03 0.00 0.00 56.01 56.58 2khq n LEU 61 Cb 0.40 -0.55 0.00 0.00 -2.33 0.00 0.00 43.42 40.94 2khq n LEU 61 CO 0.40 -0.45 0.41 0.35 -1.33 0.00 0.00 177.39 176.77 2khq n THR 62 N -1.99 0.65 -3.44 -5.08 -2.24 -0.84 -4.94 114.28 96.40 2khq n THR 62 Ca 0.03 -0.82 0.00 0.00 -2.27 0.00 0.00 64.05 60.99 2khq n THR 62 Cb 0.21 0.68 0.00 0.00 -2.10 0.00 0.00 70.33 69.12 2khq n THR 62 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2khq n HIS 63 N -0.33 -0.13 -3.83 4.78 8.25 -0.70 -5.08 115.22 118.18 2khq n HIS 63 Ca 0.00 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.20 2khq n HIS 63 Cb 0.17 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.29 2khq n HIS 63 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2khq s SER 64 N -0.22 4.63 0.18 0.41 0.15 -1.26 -4.83 113.70 112.77 2khq s SER 64 Ca 0.00 -1.28 -0.09 0.00 0.70 0.00 0.00 55.95 55.28 2khq s SER 64 Cb 0.00 0.57 0.07 0.00 -1.71 0.00 0.00 66.02 64.95 2khq s SER 64 CO 0.00 -1.21 1.66 0.22 1.20 0.00 0.00 173.24 175.11 2khq h TYR 65 N 0.63 1.16 -0.66 3.44 3.20 -1.92 -2.74 116.97 120.08 2khq h TYR 65 Ca -0.35 -0.19 -0.03 0.00 3.14 0.00 0.00 58.73 61.31 2khq h TYR 65 Cb 1.31 -0.31 -0.03 0.00 1.54 0.00 0.00 36.73 39.24 2khq h TYR 65 CO 1.00 1.00 0.31 0.93 -1.64 0.00 0.00 178.16 179.77 2khq h GLU 66 N 0.98 0.95 -0.27 1.82 4.39 -1.97 0.57 114.58 121.06 2khq h GLU 66 Ca 0.18 -0.14 0.00 0.00 0.34 0.00 0.00 59.36 59.74 2khq h GLU 66 Cb 0.51 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 28.98 2khq h GLU 66 CO 0.02 0.76 0.17 1.79 -1.16 0.00 0.00 179.01 180.60 2khq h THR 67 N 0.91 1.08 -0.04 1.13 1.35 -1.94 0.07 112.91 115.47 2khq h THR 67 Ca 0.23 -0.15 -0.19 0.00 -0.55 0.00 0.00 66.41 65.74 2khq h THR 67 Cb 0.12 0.70 -0.00 0.00 -1.73 0.00 0.00 68.15 67.24 2khq h THR 67 CO -0.03 0.07 -0.79 -0.29 -0.25 0.00 0.00 175.52 174.23 2khq h ILE 68 N 0.35 1.41 -0.06 6.82 2.10 -1.17 -1.14 117.51 125.82 2khq h ILE 68 Ca 0.10 -2.29 -0.01 0.00 1.08 0.00 0.00 64.86 63.74 2khq h ILE 68 Cb -0.03 2.24 -0.00 0.00 -1.09 0.00 0.00 36.82 37.94 2khq h ILE 68 CO -0.02 0.68 0.01 -0.09 -1.08 0.00 0.00 178.15 177.65 2khq h ARG 69 N 0.23 0.10 -0.45 2.19 2.43 0.29 0.02 114.38 119.18 2khq h ARG 69 Ca -0.04 -0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.12 2khq h ARG 69 Cb 1.39 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.90 2khq h ARG 69 CO 0.13 0.34 0.26 0.87 -1.51 0.00 0.00 179.97 180.06 2khq h LYS 70 N -0.17 0.51 -0.11 0.20 6.56 -1.01 -2.20 116.57 120.35 2khq h LYS 70 Ca 0.02 -0.03 0.04 0.00 -1.06 0.00 0.00 60.65 59.62 2khq h LYS 70 Cb 0.30 -0.11 -0.06 0.00 -0.57 0.00 0.00 32.23 31.79 2khq h LYS 70 CO 0.00 0.33 -0.26 1.25 -2.06 0.00 0.00 179.45 178.72 2khq h LEU 71 N 0.52 -0.79 -0.84 2.94 5.85 -0.95 -1.15 115.31 120.90 2khq h LEU 71 Ca 0.18 0.12 0.11 0.00 0.84 0.00 0.00 57.88 59.13 2khq h LEU 71 Cb 0.03 0.34 -0.08 0.00 0.37 0.00 0.00 40.66 41.33 2khq h LEU 71 CO -0.09 -0.31 0.47 -1.13 -0.34 0.00 0.00 178.44 177.03 2khq h ASN 72 N -0.34 0.65 -0.31 1.25 -1.24 -0.85 -1.69 115.58 113.05 2khq h ASN 72 Ca 0.09 0.06 -0.00 0.00 0.71 0.00 0.00 56.30 57.16 2khq h ASN 72 Cb 0.48 -0.06 -0.01 0.00 0.73 0.00 0.00 38.32 39.45 2khq h ASN 72 CO -0.30 0.35 0.18 -1.28 -1.29 0.00 0.00 177.43 175.09 2khq h SER 73 N 0.76 0.37 -0.18 1.15 0.87 -0.66 0.12 113.55 115.98 2khq h SER 73 Ca 0.42 -0.07 -0.01 0.00 -1.23 0.00 0.00 61.79 60.90 2khq h SER 73 Cb 0.44 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.29 2khq h SER 73 CO -0.27 0.33 0.07 1.88 -0.53 0.00 0.00 176.83 178.31 2khq h TYR 74 N 0.38 0.28 -0.51 2.24 0.05 -0.69 -0.75 116.97 117.97 2khq h TYR 74 Ca 0.11 -0.02 -0.09 0.00 0.05 0.00 0.00 58.73 58.77 2khq h TYR 74 Cb 0.03 -0.08 -0.02 0.00 1.01 0.00 0.00 36.73 37.67 2khq h TYR 74 CO -0.04 0.34 -0.05 0.82 -1.05 0.00 0.00 178.16 178.18 2khq h ILE 75 N 0.13 1.27 -0.51 -2.88 2.04 -1.20 -1.28 117.51 115.08 2khq h ILE 75 Ca 0.06 -1.17 -0.02 0.00 1.00 0.00 0.00 64.86 64.73 2khq h ILE 75 Cb 0.18 1.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.24 2khq h ILE 75 CO -0.00 0.41 0.25 -0.09 0.00 0.00 0.00 178.15 178.72 2khq h ARG 76 N 0.79 0.74 -0.77 2.37 2.43 -0.67 -1.46 114.38 117.81 2khq h ARG 76 Ca 0.14 -0.11 -0.02 0.00 -0.81 0.00 0.00 59.98 59.18 2khq h ARG 76 Cb 0.59 -0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 29.97 2khq h ARG 76 CO 0.04 0.61 0.40 -0.97 -1.51 0.00 0.00 179.97 178.53 2khq h ASN 77 N 0.68 0.97 0.01 -3.80 -0.00 -0.88 0.36 115.58 112.92 2khq h ASN 77 Ca 0.18 -0.09 -0.00 0.00 -0.00 0.00 0.00 56.30 56.38 2khq h ASN 77 Cb 0.11 -0.25 0.00 0.00 -0.00 0.00 0.00 38.32 38.18 2khq h ASN 77 CO -0.02 0.80 -0.01 0.00 -0.00 0.00 0.00 177.43 178.20 2khq h ALA 78 N 1.36 -0.02 -0.48 1.57 0.00 -0.86 -1.68 119.26 119.15 2khq h ALA 78 Ca 0.27 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.97 2khq h ALA 78 Cb 0.06 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 2khq h ALA 78 CO -0.04 -0.40 -0.09 0.74 0.00 0.00 0.00 179.25 179.46 2khq h PHE 79 N -0.24 0.95 -0.65 0.00 0.04 -1.01 -2.20 116.94 113.83 2khq h PHE 79 Ca -0.00 -0.17 -0.02 0.00 2.80 0.00 0.00 57.97 60.57 2khq h PHE 79 Cb 0.23 -0.24 -0.03 0.00 2.20 0.00 0.00 35.95 38.11 2khq h PHE 79 CO 0.00 0.91 0.33 0.22 -0.60 0.00 0.00 178.31 179.17 2khq h ASP 80 N 0.78 0.82 -0.35 2.17 1.82 -0.20 0.19 116.42 121.66 2khq h ASP 80 Ca 0.13 -0.08 -0.14 0.00 -0.39 0.00 0.00 57.03 56.56 2khq h ASP 80 Cb 0.60 -0.21 -0.01 0.00 0.68 0.00 0.00 39.33 40.39 2khq h ASP 80 CO 0.04 0.69 -0.32 -0.78 -1.61 0.00 0.00 179.24 177.26 2khq h ASP 81 N 0.92 0.88 -0.71 2.28 3.58 -1.08 0.58 116.42 122.87 2khq h ASP 81 Ca 0.23 -0.46 -0.02 0.00 0.42 0.00 0.00 57.03 57.20 2khq h ASP 81 Cb 0.07 -0.25 -0.03 0.00 1.72 0.00 0.00 39.33 40.84 2khq h ASP 81 CO -0.03 1.16 0.36 0.00 -2.88 0.00 0.00 179.24 177.85 2khq h ALA 82 N 0.75 1.27 -0.69 -0.78 0.00 -0.75 -1.01 119.26 118.05 2khq h ALA 82 Ca 0.06 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 2khq h ALA 82 Cb 0.90 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 2khq h ALA 82 CO 0.08 0.57 0.18 0.82 0.00 0.00 0.00 179.25 180.90 2khq h ILE 83 N 1.02 1.26 -0.66 0.00 2.04 -0.46 0.85 117.51 121.56 2khq h ILE 83 Ca 0.25 -0.95 -0.02 0.00 1.00 0.00 0.00 64.86 65.14 2khq h ILE 83 Cb 0.08 0.56 -0.03 0.00 -0.74 0.00 0.00 36.82 36.68 2khq h ILE 83 CO -0.04 0.36 0.33 -0.74 0.00 0.00 0.00 178.15 178.07 2khq h HIS 84 N 1.03 0.95 0.00 1.37 2.76 0.34 -1.49 115.15 120.10 2khq h HIS 84 Ca 0.22 -0.04 0.00 0.00 -2.20 0.00 0.00 60.37 58.35 2khq h HIS 84 Cb 0.36 -0.30 0.00 0.00 1.55 0.00 0.00 27.41 29.02 2khq h HIS 84 CO 0.03 0.70 0.00 1.05 -1.30 0.00 0.00 177.93 178.41 2khq h GLU 85 N 0.92 0.00 0.00 5.26 4.11 -1.25 -3.47 114.58 120.14 2khq h GLU 85 Ca 0.23 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.66 2khq h GLU 85 Cb 0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.35 2khq h GLU 85 CO -0.03 0.00 0.00 0.41 0.07 0.00 0.00 179.01 179.46 2khq n GLY 86 N 1.05 0.88 0.22 1.06 0.00 -0.56 -4.98 105.19 102.86 2khq n GLY 86 Ca 0.04 -0.05 -0.13 0.00 0.00 0.00 0.00 46.02 45.88 2khq n GLY 86 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2khq h TYR 87 N 0.00 0.86 -3.68 1.61 3.20 -1.09 -3.43 116.97 114.44 2khq h TYR 87 Ca 0.00 -0.23 -0.53 0.00 3.14 0.00 0.00 58.73 61.11 2khq h TYR 87 Cb 0.00 -0.19 -0.32 0.00 1.54 0.00 0.00 36.73 37.76 2khq h TYR 87 CO 0.00 0.97 -0.82 0.54 -1.64 0.00 0.00 178.16 177.21 2khq s VAL 88 N -4.50 1.25 0.13 1.81 0.11 -1.09 -5.01 120.40 113.10 2khq s VAL 88 Ca -0.12 -0.59 -0.04 0.00 -2.93 0.00 0.00 61.98 58.30 2khq s VAL 88 Cb 0.09 -1.10 -0.19 0.00 -1.53 0.00 0.00 36.38 33.65 2khq s VAL 88 CO 0.83 0.37 1.30 -0.29 -3.33 0.00 0.00 175.10 173.98 2khq h ILE 89 N 5.56 1.42 -3.94 7.04 2.10 -1.89 -3.30 117.51 124.49 2khq h ILE 89 Ca -0.31 -2.53 -0.23 0.00 1.08 0.00 0.00 64.86 62.87 2khq h ILE 89 Cb 1.18 2.48 -0.18 0.00 -1.09 0.00 0.00 36.82 39.21 2khq h ILE 89 CO 0.48 0.75 -0.71 -1.59 -1.08 0.00 0.00 178.15 176.00 2khq s LYS 90 N -3.20 0.63 0.23 2.19 -2.85 -1.26 -4.98 119.74 110.50 2khq s LYS 90 Ca -0.05 -1.01 0.00 0.00 -1.00 0.00 0.00 55.97 53.91 2khq s LYS 90 Cb 0.09 -0.16 -0.04 0.00 -2.06 0.00 0.00 37.83 35.66 2khq s LYS 90 CO 0.86 -0.00 0.12 0.54 0.10 0.00 0.00 175.35 176.97 2khq s ASN 91 N -2.26 0.66 0.00 0.03 4.22 -1.26 -5.01 114.94 111.31 2khq s ASN 91 Ca -0.01 -1.41 0.00 0.00 -2.14 0.00 0.00 52.86 49.30 2khq s ASN 91 Cb -0.02 0.31 0.00 0.00 1.28 0.00 0.00 41.25 42.81 2khq s ASN 91 CO -0.03 -0.81 0.00 -2.65 -2.04 0.00 0.00 177.10 171.57 2khq n PRO 92 N -0.37 2.43 -1.24 3.55 -0.02 -1.26 -4.50 135.00 133.59 2khq n PRO 92 Ca 0.01 0.00 -0.11 0.00 -2.02 0.00 0.00 63.50 61.38 2khq n PRO 92 Cb 0.66 0.00 -0.05 0.00 -0.02 0.00 0.00 33.50 34.09 2khq n PRO 92 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2khq n THR 93 N 0.00 0.00 -0.06 3.45 -2.24 -1.26 -4.81 114.28 109.36 2khq n THR 93 Ca 0.00 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.70 2khq n THR 93 Cb 0.00 -1.23 -0.07 0.00 -2.10 0.00 0.00 70.33 66.93 2khq n THR 93 CO 0.00 0.00 0.00 0.22 -0.57 0.00 0.00 175.07 174.72 2khq h TYR 94 N 0.00 0.00 0.00 4.78 3.20 -1.92 -3.40 116.97 119.63 2khq h TYR 94 Ca -0.23 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.64 2khq h TYR 94 Cb 0.90 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.17 2khq h TYR 94 CO 0.42 0.56 -0.29 0.36 -1.64 0.00 0.00 178.16 177.57 2khq n LYS 95 N -4.68 0.52 -2.66 1.82 2.85 -1.26 -5.07 118.16 109.69 2khq n LYS 95 Ca -0.06 -1.58 -0.41 0.00 -1.05 0.00 0.00 58.31 55.21 2khq n LYS 95 Cb 0.27 -0.88 -0.05 0.00 -0.65 0.00 0.00 35.03 33.73 2khq n LYS 95 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2khq s ALA 96 N -1.09 3.32 0.45 0.58 0.00 -1.26 -5.05 121.76 118.71 2khq s ALA 96 Ca 0.12 0.68 0.07 0.00 0.00 0.00 0.00 51.96 52.83 2khq s ALA 96 Cb 0.10 -3.28 -0.01 0.00 0.00 0.00 0.00 23.12 19.94 2khq s ALA 96 CO 0.01 -0.01 0.39 -1.83 0.00 0.00 0.00 175.76 174.32 2khq s GLU 97 N -0.62 2.44 -0.24 0.00 4.04 -1.26 -4.99 118.70 118.07 2khq s GLU 97 Ca 0.45 -1.66 0.12 0.00 0.04 0.00 0.00 54.97 53.92 2khq s GLU 97 Cb -0.27 -2.30 0.45 0.00 0.02 0.00 0.00 34.13 32.03 2khq s GLU 97 CO 0.33 -0.30 1.19 1.28 -1.84 0.00 0.00 175.26 175.92 2khq n LEU 98 N -1.59 3.58 -4.71 1.83 4.77 -1.26 -4.92 117.00 114.70 2khq n LEU 98 Ca 0.03 -4.09 -0.42 0.00 -0.03 0.00 0.00 56.01 51.50 2khq n LEU 98 Cb 0.62 -0.27 -0.03 0.00 -2.33 0.00 0.00 43.42 41.42 2khq n LEU 98 CO 0.42 1.66 0.81 -1.38 -1.33 0.00 0.00 177.39 177.57 2khq s HIS 99 N -3.27 3.51 -0.21 -1.77 -3.43 -1.26 -4.94 115.29 103.93 2khq s HIS 99 Ca 0.43 1.44 -0.02 0.00 -0.80 0.00 0.00 55.06 56.11 2khq s HIS 99 Cb 0.39 -3.32 0.00 0.00 -1.43 0.00 0.00 32.58 28.22 2khq s HIS 99 CO -0.02 -0.84 -0.09 0.00 -2.00 0.00 0.00 174.74 171.79 2khq s ALA 100 N 1.06 2.65 -0.08 -1.38 0.00 -1.26 -4.88 121.76 117.87 2khq s ALA 100 Ca 0.56 -1.18 -0.06 0.00 0.00 0.00 0.00 51.96 51.29 2khq s ALA 100 Cb -0.26 -1.53 -0.25 0.00 0.00 0.00 0.00 23.12 21.08 2khq s ALA 100 CO 0.29 -0.39 3.48 0.43 0.00 0.00 0.00 175.76 179.56 2khq n SER 101 N 4.71 5.22 0.00 0.00 7.64 -1.26 -2.88 113.62 127.06 2khq n SER 101 Ca -0.19 -2.45 0.00 0.00 1.01 0.00 0.00 58.87 57.24 2khq n SER 101 Cb 0.51 -1.37 0.00 0.00 -1.01 0.00 0.00 64.21 62.33 2khq n SER 101 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 2khq n VAL 102 N 2.58 0.07 -1.44 0.44 0.31 -1.26 -4.85 118.33 114.18 2khq n VAL 102 Ca 0.43 -0.13 0.06 0.00 -0.01 0.00 0.00 64.34 64.69 2khq n VAL 102 Cb 0.85 1.47 0.08 0.00 -0.91 0.00 0.00 33.84 35.33 2khq n VAL 102 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2khq n LEU 103 N -0.04 1.36 0.30 7.52 4.77 -1.14 -4.80 117.00 124.97 2khq n LEU 103 Ca 0.00 -2.19 0.19 0.00 -0.03 0.00 0.00 56.01 53.97 2khq n LEU 103 Cb 0.30 -0.24 1.01 0.00 -2.33 0.00 0.00 43.42 42.15 2khq n LEU 103 CO 0.00 0.51 1.16 -0.33 -1.33 0.00 0.00 177.39 177.40 2khq h GLU 104 N 0.00 0.00 -4.81 3.23 3.07 -1.89 -3.46 114.58 110.72 2khq h GLU 104 Ca 0.00 0.00 -0.31 0.00 -0.50 0.00 0.00 59.36 58.55 2khq h GLU 104 Cb 1.16 0.00 0.11 0.00 -0.84 0.00 0.00 28.75 29.18 2khq h GLU 104 CO 0.00 0.00 -0.54 1.58 -1.40 0.00 0.00 179.01 178.65 2khq n HIS 105 N -3.46 -2.26 -1.20 4.33 -0.00 -1.26 -4.89 115.22 106.48 2khq n HIS 105 Ca -0.02 0.80 -0.21 0.00 0.46 0.00 0.00 57.72 58.74 2khq n HIS 105 Cb 0.15 -4.19 0.20 0.00 -0.12 0.00 0.00 29.99 26.03 2khq n HIS 105 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2khq n HIS 106 N -4.44 3.00 -0.84 1.57 -0.00 -1.26 -4.86 115.22 108.39 2khq n HIS 106 Ca -0.00 -1.76 0.00 0.00 -0.00 0.00 0.00 57.72 55.96 2khq n HIS 106 Cb 0.55 -0.91 0.00 0.00 -0.00 0.00 0.00 29.99 29.63 2khq n HIS 106 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2khq n HIS 107 N -1.00 0.00 0.07 1.57 8.25 -1.26 -4.81 115.22 118.04 2khq n HIS 107 Ca 0.57 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.97 2khq n HIS 107 Cb 1.64 -1.09 -0.08 0.00 1.12 0.00 0.00 29.99 31.57 2khq n HIS 107 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 2khq h HIS 108 N 0.00 0.01 -1.85 4.41 6.17 -2.00 -3.50 115.15 118.39 2khq h HIS 108 Ca 0.00 -0.00 0.18 0.00 0.71 0.00 0.00 60.37 61.26 2khq h HIS 108 Cb 0.30 -0.00 -0.10 0.00 2.52 0.00 0.00 27.41 30.13 2khq h HIS 108 CO 0.19 0.95 -0.68 0.72 0.71 0.00 0.00 177.93 179.83 2khq n HIS 109 N -3.41 -2.05 -1.96 5.26 8.25 -1.26 -5.20 115.22 114.85 2khq n HIS 109 Ca -0.00 1.13 0.00 0.00 -0.26 0.00 0.00 57.72 58.59 2khq n HIS 109 Cb 0.90 -1.87 0.00 0.00 1.12 0.00 0.00 29.99 30.14 2khq n HIS 109 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56