#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 4.87 0.34 2.02 2.07 -1.26 -4.97 121.20 124.27 2khq s ILE 2 Ca 0.00 0.77 -0.28 0.00 -1.41 0.00 0.00 60.65 59.73 2khq s ILE 2 Cb 0.00 -3.72 -0.09 0.00 0.13 0.00 0.00 42.46 38.78 2khq s ILE 2 CO 0.00 0.21 1.19 0.42 -1.91 0.00 0.00 174.94 174.85 2khq s THR 3 N -1.50 3.11 0.23 4.00 -4.23 -1.26 -1.66 115.64 114.33 2khq s THR 3 Ca 0.39 1.06 -0.08 0.00 -1.18 0.00 0.00 61.69 61.87 2khq s THR 3 Cb -0.14 -3.65 0.20 0.00 1.34 0.00 0.00 72.50 70.25 2khq s THR 3 CO 0.19 0.21 1.90 0.15 -0.54 0.00 0.00 174.62 176.53 2khq h PHE 4 N 3.28 1.08 -0.16 3.99 3.57 -0.23 0.91 116.94 129.38 2khq h PHE 4 Ca -0.48 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.08 2khq h PHE 4 Cb 1.22 -0.36 -0.03 0.00 2.79 0.00 0.00 35.95 39.57 2khq h PHE 4 CO 0.57 0.67 -0.04 0.00 -2.23 0.00 0.00 178.31 177.27 2khq h ALA 5 N 1.32 0.10 -0.41 2.41 0.00 -1.83 0.34 119.26 121.19 2khq h ALA 5 Ca 0.32 0.06 -0.13 0.00 0.00 0.00 0.00 54.91 55.15 2khq h ALA 5 Cb -0.12 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2khq h ALA 5 CO -0.07 -0.49 -0.28 -0.44 0.00 0.00 0.00 179.25 177.97 2khq h ASP 6 N -0.01 0.92 -0.36 0.00 5.19 -1.84 -2.56 116.42 117.76 2khq h ASP 6 Ca 0.08 -0.37 0.01 0.00 -0.62 0.00 0.00 57.03 56.13 2khq h ASP 6 Cb 0.13 -0.25 -0.02 0.00 0.18 0.00 0.00 39.33 39.36 2khq h ASP 6 CO -0.17 1.13 0.23 0.22 -3.12 0.00 0.00 179.24 177.54 2khq h TYR 7 N 0.75 0.44 -0.13 4.55 3.20 -0.37 -0.68 116.97 124.73 2khq h TYR 7 Ca 0.09 0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.98 2khq h TYR 7 Cb 0.84 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.95 2khq h TYR 7 CO 0.05 0.27 0.04 0.35 -1.64 0.00 0.00 178.16 177.23 2khq h PHE 8 N 0.47 0.07 -0.63 -3.82 3.57 -0.17 0.42 116.94 116.85 2khq h PHE 8 Ca 0.13 0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.56 2khq h PHE 8 Cb -0.04 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 38.66 2khq h PHE 8 CO -0.06 0.03 0.07 -0.92 -2.23 0.00 0.00 178.31 175.21 2khq h TYR 9 N 0.10 1.11 -0.15 0.41 5.03 -1.36 -0.95 116.97 121.17 2khq h TYR 9 Ca 0.05 -0.16 -0.02 0.00 2.58 0.00 0.00 58.73 61.18 2khq h TYR 9 Cb 0.03 -0.30 -0.01 0.00 1.55 0.00 0.00 36.73 38.01 2khq h TYR 9 CO -0.11 0.95 -0.00 0.37 -1.32 0.00 0.00 178.16 178.05 2khq h GLN 10 N 0.97 0.26 -0.92 1.82 4.15 -0.70 0.22 115.11 120.92 2khq h GLN 10 Ca 0.19 -0.08 0.12 0.00 0.77 0.00 0.00 58.65 59.65 2khq h GLN 10 Cb 0.46 -0.02 -0.09 0.00 0.21 0.00 0.00 27.48 28.04 2khq h GLN 10 CO 0.02 0.50 0.54 2.35 -1.93 0.00 0.00 178.83 180.30 2khq h TRP 11 N -0.00 0.97 0.60 3.99 7.01 -0.02 -0.14 115.95 128.36 2khq h TRP 11 Ca 0.04 0.03 -0.03 0.00 2.11 0.00 0.00 58.89 61.04 2khq h TRP 11 Cb 0.38 -0.30 0.01 0.00 -2.10 0.00 0.00 29.16 27.15 2khq h TRP 11 CO 0.04 0.34 -0.29 -0.92 -2.79 0.00 0.00 178.44 174.82 2khq h TYR 12 N 0.83 -0.75 -0.89 2.65 3.20 -0.86 -2.69 116.97 118.47 2khq h TYR 12 Ca 0.47 -0.02 0.15 0.00 3.14 0.00 0.00 58.73 62.47 2khq h TYR 12 Cb 0.52 0.25 -0.09 0.00 1.54 0.00 0.00 36.73 38.95 2khq h TYR 12 CO -0.04 -0.41 0.49 1.49 -1.64 0.00 0.00 178.16 178.04 2khq h GLU 13 N -1.07 0.68 -0.09 1.82 4.81 -0.01 0.42 114.58 121.15 2khq h GLU 13 Ca -0.08 -0.04 -0.20 0.00 -0.13 0.00 0.00 59.36 58.91 2khq h GLU 13 Cb 0.67 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 29.90 2khq h GLU 13 CO 0.14 0.45 -0.76 0.28 -0.73 0.00 0.00 179.01 178.38 2khq h VAL 14 N 0.70 1.36 0.00 0.32 2.07 -1.11 -3.40 116.25 116.18 2khq h VAL 14 Ca 0.48 -2.13 -0.04 0.00 0.82 0.00 0.00 66.70 65.83 2khq h VAL 14 Cb 0.65 2.11 -0.01 0.00 -1.52 0.00 0.00 31.29 32.53 2khq h VAL 14 CO -0.35 0.65 -0.93 0.59 0.02 0.00 0.00 177.57 177.55 2khq n ASN 15 N -3.85 1.89 -4.23 0.57 3.02 -0.55 -4.85 115.26 107.26 2khq n ASN 15 Ca -0.05 0.44 -0.38 0.00 -0.03 0.00 0.00 54.58 54.56 2khq n ASN 15 Cb 0.73 -0.80 -0.12 0.00 -0.61 0.00 0.00 39.78 38.98 2khq n ASN 15 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2khq s LYS 16 N -2.63 2.49 0.33 3.52 3.01 0.14 -4.84 119.74 121.76 2khq s LYS 16 Ca -0.25 -1.36 0.00 0.00 -1.01 0.00 0.00 55.97 53.36 2khq s LYS 16 Cb 0.04 -3.51 0.00 0.00 -1.01 0.00 0.00 37.83 33.36 2khq s LYS 16 CO 0.37 -0.79 0.00 -0.11 0.51 0.00 0.00 175.35 175.33 2khq n LEU 17 N 4.77 -2.13 -0.15 3.17 7.94 -1.26 -4.19 117.00 125.15 2khq n LEU 17 Ca -0.10 0.62 0.14 0.00 -1.11 0.00 0.00 56.01 55.56 2khq n LEU 17 Cb 0.43 2.10 0.62 0.00 0.53 0.00 0.00 43.42 47.11 2khq n LEU 17 CO 0.33 -0.21 0.88 -0.81 -1.11 0.00 0.00 177.39 176.46 2khq n PRO 18 N -3.31 0.83 0.00 1.96 -0.05 -1.26 -3.68 135.00 129.50 2khq n PRO 18 Ca 0.00 -0.31 0.09 0.00 -0.05 0.00 0.00 63.50 63.23 2khq n PRO 18 Cb 0.00 -1.49 0.06 0.00 -0.05 0.00 0.00 33.50 32.02 2khq n PRO 18 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 175.50 176.17 2khq n HIS 19 N -0.81 0.00 -4.45 0.54 8.25 -1.26 -4.97 115.22 112.51 2khq n HIS 19 Ca 0.16 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.40 2khq n HIS 19 Cb 0.27 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.28 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 -1.69 1.68 0.53 1.59 -7.23 -1.24 -5.13 120.40 108.90 2khq s VAL 20 Ca 0.20 -2.11 -0.02 0.00 -1.81 0.00 0.00 61.98 58.24 2khq s VAL 20 Cb 0.15 -2.54 0.01 0.00 0.56 0.00 0.00 36.38 34.57 2khq s VAL 20 CO 0.29 -0.24 0.78 -0.44 -0.31 0.00 0.00 175.10 175.18 2khq s SER 21 N -3.48 5.58 0.51 4.85 0.01 -1.26 -4.93 113.70 114.97 2khq s SER 21 Ca 0.31 0.35 0.18 0.00 1.31 0.00 0.00 55.95 58.10 2khq s SER 21 Cb 0.04 -1.41 1.28 0.00 0.21 0.00 0.00 66.02 66.15 2khq s SER 21 CO 0.13 -0.96 2.12 1.05 0.41 0.00 0.00 173.24 176.00 2khq h GLU 22 N 0.10 0.00 -0.64 12.44 4.11 -1.99 -0.58 114.58 128.02 2khq h GLU 22 Ca -0.45 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 58.98 2khq h GLU 22 Cb 1.27 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.49 2khq h GLU 22 CO 0.57 0.05 0.40 0.66 0.07 0.00 0.00 179.01 180.76 2khq h SER 23 N 0.00 0.76 -0.50 3.06 4.64 -1.99 -0.71 113.55 118.81 2khq h SER 23 Ca -0.00 -0.05 -0.06 0.00 -0.47 0.00 0.00 61.79 61.21 2khq h SER 23 Cb 0.09 -0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 61.96 2khq h SER 23 CO 0.01 0.58 0.11 0.74 -0.87 0.00 0.00 176.83 177.39 2khq h THR 24 N 0.87 1.23 -0.51 2.95 2.02 -1.50 -2.11 112.91 115.87 2khq h THR 24 Ca 0.23 -0.88 -0.01 0.00 0.77 0.00 0.00 66.41 66.52 2khq h THR 24 Cb -0.05 0.70 -0.02 0.00 -1.74 0.00 0.00 68.15 67.03 2khq h THR 24 CO -0.05 0.33 0.29 0.11 0.37 0.00 0.00 175.52 176.57 2khq h LYS 25 N 0.83 0.70 -0.81 6.66 1.57 -0.84 -2.16 116.57 122.52 2khq h LYS 25 Ca 0.18 -0.08 0.03 0.00 -1.87 0.00 0.00 60.65 58.91 2khq h LYS 25 Cb 0.34 -0.14 -0.05 0.00 0.08 0.00 0.00 32.23 32.47 2khq h LYS 25 CO 0.00 0.54 0.54 0.00 -0.57 0.00 0.00 179.45 179.96 2khq h ARG 26 N 0.68 0.99 0.39 3.15 3.08 -0.56 0.28 114.38 122.38 2khq h ARG 26 Ca 0.18 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 60.15 2khq h ARG 26 Cb 0.03 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 29.86 2khq h ARG 26 CO -0.03 0.66 -0.19 0.45 -1.07 0.00 0.00 179.97 179.79 2khq h HIS 27 N 1.02 -0.49 -0.79 3.04 3.86 -0.97 0.39 115.15 121.22 2khq h HIS 27 Ca 0.32 -0.01 -0.03 0.00 -1.16 0.00 0.00 60.37 59.48 2khq h HIS 27 Cb 0.01 0.16 -0.04 0.00 1.06 0.00 0.00 27.41 28.61 2khq h HIS 27 CO -0.00 -0.28 0.36 1.88 0.86 0.00 0.00 177.93 180.75 2khq h TYR 28 N -0.57 1.15 -0.28 2.45 -1.99 -0.82 -0.36 116.97 116.56 2khq h TYR 28 Ca -0.05 -0.07 -0.13 0.00 2.00 0.00 0.00 58.73 60.48 2khq h TYR 28 Cb 0.43 -0.35 -0.01 0.00 2.00 0.00 0.00 36.73 38.80 2khq h TYR 28 CO -0.04 0.85 -0.35 0.93 -0.00 0.00 0.00 178.16 179.56 2khq h GLU 29 N 1.12 0.62 -0.59 4.88 5.08 -0.42 0.38 114.58 125.65 2khq h GLU 29 Ca 0.27 -0.29 -0.08 0.00 -1.00 0.00 0.00 59.36 58.25 2khq h GLU 29 Cb 0.15 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 2khq h GLU 29 CO -0.03 0.88 0.04 0.77 -1.00 0.00 0.00 179.01 179.67 2khq h SER 30 N 0.52 0.98 0.11 1.42 0.02 -0.61 0.05 113.55 116.05 2khq h SER 30 Ca 0.05 -0.25 -0.01 0.00 -0.84 0.00 0.00 61.79 60.75 2khq h SER 30 Cb 0.85 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 63.13 2khq h SER 30 CO 0.07 1.01 -0.05 0.00 -1.14 0.00 0.00 176.83 176.72 2khq h ALA 31 N 1.09 -0.15 -0.67 3.77 0.00 -0.65 -2.57 119.26 120.09 2khq h ALA 31 Ca 0.18 -0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.08 2khq h ALA 31 Cb 0.49 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.28 2khq h ALA 31 CO 0.02 -0.54 0.36 -0.92 0.00 0.00 0.00 179.25 178.17 2khq h TYR 32 N -0.24 0.66 -0.08 0.00 3.20 -0.01 0.16 116.97 120.66 2khq h TYR 32 Ca -0.02 0.03 -0.12 0.00 3.14 0.00 0.00 58.73 61.76 2khq h TYR 32 Cb 0.20 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.26 2khq h TYR 32 CO -0.04 0.30 -0.48 1.57 -1.64 0.00 0.00 178.16 177.87 2khq h LYS 33 N 0.66 0.21 0.00 1.82 2.10 -0.96 0.18 116.57 120.58 2khq h LYS 33 Ca 0.31 -0.11 -0.19 0.00 -2.00 0.00 0.00 60.65 58.65 2khq h LYS 33 Cb 0.22 0.01 -0.01 0.00 -0.90 0.00 0.00 32.23 31.55 2khq h LYS 33 CO -0.20 0.65 -0.86 0.45 -2.00 0.00 0.00 179.45 177.49 2khq h HIS 34 N 0.17 0.27 -0.23 0.07 3.86 -0.98 -0.08 115.15 118.23 2khq h HIS 34 Ca 0.01 -0.15 -0.01 0.00 -1.16 0.00 0.00 60.37 59.06 2khq h HIS 34 Cb 0.91 -0.03 -0.01 0.00 1.06 0.00 0.00 27.41 29.34 2khq h HIS 34 CO 0.01 0.96 0.10 0.82 0.86 0.00 0.00 177.93 180.68 2khq h ILE 35 N 0.10 1.16 0.00 2.45 2.04 -0.26 -1.11 117.51 121.90 2khq h ILE 35 Ca -0.04 -0.49 -0.03 0.00 1.00 0.00 0.00 64.86 65.30 2khq h ILE 35 Cb 1.49 1.05 -0.00 0.00 -0.74 0.00 0.00 36.82 38.61 2khq h ILE 35 CO 0.13 0.16 -0.16 0.50 0.00 0.00 0.00 178.15 178.78 2khq h LYS 36 N 0.23 0.00 -0.27 2.37 3.64 -0.60 0.69 116.57 122.63 2khq h LYS 36 Ca 0.08 0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.34 2khq h LYS 36 Cb 0.17 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.98 2khq h LYS 36 CO -0.01 0.16 -0.29 0.22 -2.27 0.00 0.00 179.45 177.27 2khq h ASP 37 N 0.00 0.71 0.03 4.20 3.58 -0.43 -2.91 116.42 121.59 2khq h ASP 37 Ca -0.00 -0.48 -0.20 0.00 0.42 0.00 0.00 57.03 56.76 2khq h ASP 37 Cb 0.33 -0.20 -0.02 0.00 1.72 0.00 0.00 39.33 41.16 2khq h ASP 37 CO 0.02 1.05 -1.08 0.45 -2.88 0.00 0.00 179.24 176.80 2khq h HIS 38 N 0.39 0.10 -3.28 0.28 3.86 -0.96 -3.42 115.15 112.12 2khq h HIS 38 Ca 0.04 -0.07 -0.67 0.00 -1.16 0.00 0.00 60.37 58.50 2khq h HIS 38 Cb 0.86 -0.00 -0.38 0.00 1.06 0.00 0.00 27.41 28.94 2khq h HIS 38 CO 0.08 1.42 -0.33 -0.06 0.86 0.00 0.00 177.93 179.90 2khq s PHE 39 N -2.37 3.67 0.26 2.45 0.08 0.24 -4.94 117.98 117.38 2khq s PHE 39 Ca -0.25 -3.11 -0.04 0.00 0.12 0.00 0.00 56.93 53.65 2khq s PHE 39 Cb 0.04 -3.03 0.33 0.00 -0.57 0.00 0.00 43.02 39.79 2khq s PHE 39 CO 0.65 -0.69 1.93 0.00 -0.10 0.00 0.00 175.22 177.01 2khq h ARG 40 N 5.97 1.24 -0.33 0.44 3.08 -1.67 -3.34 114.38 119.77 2khq h ARG 40 Ca 0.11 -0.07 -0.28 0.00 0.07 0.00 0.00 59.98 59.81 2khq h ARG 40 Cb 0.82 -0.28 -0.20 0.00 0.08 0.00 0.00 29.97 30.39 2khq h ARG 40 CO 0.78 0.82 -0.57 -2.39 -1.07 0.00 0.00 179.97 177.54 2khq n HIS 41 N -4.41 -2.19 -3.32 3.04 1.44 -1.26 -4.90 115.22 103.62 2khq n HIS 41 Ca 0.12 -2.37 -0.37 0.00 -2.01 0.00 0.00 57.72 53.10 2khq n HIS 41 Cb 0.05 1.25 -0.06 0.00 0.12 0.00 0.00 29.99 31.35 2khq n HIS 41 CO 0.00 0.00 0.00 0.21 -2.81 0.00 0.00 176.34 173.74 2khq s LYS 42 N -0.28 4.08 0.80 -1.40 2.47 -1.25 -4.93 119.74 119.23 2khq s LYS 42 Ca 0.25 0.61 -0.11 0.00 -1.56 0.00 0.00 55.97 55.16 2khq s LYS 42 Cb 0.33 -3.07 0.07 0.00 -1.46 0.00 0.00 37.83 33.70 2khq s LYS 42 CO -0.06 0.55 1.10 -0.51 0.16 0.00 0.00 175.35 176.59 2khq s LEU 43 N -1.56 2.94 0.21 5.43 1.43 -1.26 0.39 118.68 126.25 2khq s LEU 43 Ca 0.34 1.83 -0.10 0.00 -1.03 0.00 0.00 54.13 55.17 2khq s LEU 43 Cb -0.17 -4.47 0.19 0.00 0.03 0.00 0.00 46.19 41.77 2khq s LEU 43 CO 0.19 -2.22 1.85 0.25 0.23 0.00 0.00 176.35 176.66 2khq h LEU 44 N -1.26 0.76 -2.28 1.79 5.85 -1.58 -1.01 115.31 117.58 2khq h LEU 44 Ca -0.44 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.28 2khq h LEU 44 Cb 1.24 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 42.10 2khq h LEU 44 CO 0.50 0.53 0.00 2.29 -0.34 0.00 0.00 178.44 181.42 2khq n LYS 45 N -4.64 2.87 -0.16 1.25 2.85 -1.26 -3.86 118.16 115.20 2khq n LYS 45 Ca 0.08 -1.98 0.08 0.00 -1.05 0.00 0.00 58.31 55.43 2khq n LYS 45 Cb 0.08 -1.69 0.16 0.00 -0.65 0.00 0.00 35.03 32.93 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 0.73 2.94 -4.51 -5.58 2.03 -0.38 -4.88 116.55 106.89 2khq n ASP 46 Ca 0.18 -1.87 -0.43 0.00 0.52 0.00 0.00 54.79 53.19 2khq n ASP 46 Cb 0.65 -0.21 -0.07 0.00 -0.72 0.00 0.00 41.12 40.77 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 -1.11 4.89 0.49 5.18 -1.09 -1.22 -4.75 121.20 123.58 2khq s ILE 47 Ca 0.27 -0.01 -0.20 0.00 -2.23 0.00 0.00 60.65 58.48 2khq s ILE 47 Cb 0.15 -4.17 -0.08 0.00 -1.58 0.00 0.00 42.46 36.78 2khq s ILE 47 CO 0.21 -0.57 1.04 -0.54 -1.23 0.00 0.00 174.94 173.86 2khq s LYS 48 N 2.66 3.79 0.31 2.79 1.02 -1.26 -3.96 119.74 125.09 2khq s LYS 48 Ca 0.20 1.37 0.04 0.00 0.02 0.00 0.00 55.97 57.61 2khq s LYS 48 Cb -0.15 -2.09 0.50 0.00 -0.52 0.00 0.00 37.83 35.56 2khq s LYS 48 CO 0.18 -0.44 1.77 0.07 -0.92 0.00 0.00 175.35 176.00 2khq h ARG 49 N 1.56 0.41 -0.12 1.68 0.11 -1.84 -1.81 114.38 114.36 2khq h ARG 49 Ca -0.50 -0.14 -0.14 0.00 0.10 0.00 0.00 59.98 59.30 2khq h ARG 49 Cb 1.22 -0.03 -0.01 0.00 1.11 0.00 0.00 29.97 32.26 2khq h ARG 49 CO 0.59 0.62 -0.53 1.79 0.10 0.00 0.00 179.97 182.54 2khq h THR 50 N 0.37 1.35 -0.33 0.08 1.35 -1.91 -2.15 112.91 111.66 2khq h THR 50 Ca 0.06 -1.80 -0.13 0.00 -0.55 0.00 0.00 66.41 63.99 2khq h THR 50 Cb 0.61 1.83 -0.01 0.00 -1.73 0.00 0.00 68.15 68.85 2khq h THR 50 CO 0.04 0.54 -0.31 -0.33 -0.25 0.00 0.00 175.52 175.21 2khq h GLU 51 N 0.27 0.72 -0.49 4.72 4.39 -1.85 -2.57 114.58 119.77 2khq h GLU 51 Ca 0.01 -0.33 -0.03 0.00 0.34 0.00 0.00 59.36 59.35 2khq h GLU 51 Cb 1.02 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.63 2khq h GLU 51 CO 0.09 0.94 0.18 -0.92 -1.16 0.00 0.00 179.01 178.14 2khq h TYR 52 N 0.61 0.71 -0.57 4.33 3.20 -1.13 -1.04 116.97 123.09 2khq h TYR 52 Ca 0.07 -0.04 -0.00 0.00 3.14 0.00 0.00 58.73 61.90 2khq h TYR 52 Cb 0.83 -0.22 -0.03 0.00 1.54 0.00 0.00 36.73 38.86 2khq h TYR 52 CO 0.04 0.56 0.34 0.37 -1.64 0.00 0.00 178.16 177.84 2khq h GLN 53 N 0.70 0.77 -0.58 1.82 5.75 -1.01 -0.34 115.11 122.22 2khq h GLN 53 Ca 0.17 -0.07 -0.06 0.00 -0.15 0.00 0.00 58.65 58.54 2khq h GLN 53 Cb 0.17 -0.16 -0.03 0.00 1.07 0.00 0.00 27.48 28.53 2khq h GLN 53 CO -0.01 0.55 0.10 0.87 -2.65 0.00 0.00 178.83 177.69 2khq h LYS 54 N 0.76 0.92 -0.07 1.69 1.57 -1.01 0.15 116.57 120.57 2khq h LYS 54 Ca 0.20 -0.21 -0.00 0.00 -1.87 0.00 0.00 60.65 58.76 2khq h LYS 54 Cb -0.02 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.16 2khq h LYS 54 CO -0.04 0.84 0.03 0.35 -0.57 0.00 0.00 179.45 180.06 2khq h PHE 55 N 0.87 0.11 -0.62 -1.35 3.57 -0.83 -2.08 116.94 116.60 2khq h PHE 55 Ca 0.18 -0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.58 2khq h PHE 55 Cb 0.37 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.05 2khq h PHE 55 CO 0.02 0.24 0.03 -0.07 -2.23 0.00 0.00 178.31 176.30 2khq h LEU 56 N -0.06 1.05 -0.12 0.59 3.38 -0.84 -1.70 115.31 117.62 2khq h LEU 56 Ca 0.02 -0.29 0.02 0.00 0.09 0.00 0.00 57.88 57.73 2khq h LEU 56 Cb 0.18 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 2khq h LEU 56 CO -0.00 1.09 -0.03 -1.13 0.09 0.00 0.00 178.44 178.45 2khq h ASN 57 N 0.99 -0.12 -0.50 -0.43 -0.73 -0.60 0.14 115.58 114.33 2khq h ASN 57 Ca 0.18 0.04 -0.12 0.00 1.87 0.00 0.00 56.30 58.27 2khq h ASN 57 Cb 0.53 0.08 -0.02 0.00 0.27 0.00 0.00 38.32 39.18 2khq h ASN 57 CO 0.03 -0.05 -0.13 -0.08 -0.37 0.00 0.00 177.43 176.83 2khq h GLU 58 N -0.01 0.99 -0.30 6.67 4.81 -1.32 -2.84 114.58 122.57 2khq h GLU 58 Ca 0.06 -0.37 -0.09 0.00 -0.13 0.00 0.00 59.36 58.83 2khq h GLU 58 Cb 0.10 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.40 2khq h GLU 58 CO -0.13 1.05 -0.19 -0.92 -0.73 0.00 0.00 179.01 178.09 2khq h TYR 59 N 0.87 0.60 0.00 0.92 5.03 -0.89 -2.19 116.97 121.32 2khq h TYR 59 Ca 0.13 -0.11 0.00 0.00 2.58 0.00 0.00 58.73 61.33 2khq h TYR 59 Cb 0.69 -0.15 0.00 0.00 1.55 0.00 0.00 36.73 38.82 2khq h TYR 59 CO 0.04 0.70 0.00 0.41 -1.32 0.00 0.00 178.16 178.00 2khq n GLY 60 N -0.46 -1.43 0.05 1.82 0.00 0.46 -0.31 105.19 105.32 2khq n GLY 60 Ca 0.00 -0.04 0.12 0.00 0.00 0.00 0.00 46.02 46.10 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 -1.82 0.66 -0.02 0.99 4.77 -0.84 -1.15 117.00 119.59 2khq n LEU 61 Ca 0.05 0.13 -0.00 0.00 -0.03 0.00 0.00 56.01 56.16 2khq n LEU 61 Cb 0.32 -0.15 -0.05 0.00 -2.33 0.00 0.00 43.42 41.21 2khq n LEU 61 CO 0.24 -0.01 -0.63 0.35 -1.33 0.00 0.00 177.39 176.01 2khq n THR 62 N -2.03 0.21 -4.33 -5.08 -2.24 -0.95 -4.77 114.28 95.08 2khq n THR 62 Ca 0.03 -0.19 -0.18 0.00 -2.27 0.00 0.00 64.05 61.44 2khq n THR 62 Cb 0.43 -0.28 -0.10 0.00 -2.10 0.00 0.00 70.33 68.28 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 -2.27 1.63 0.95 4.78 3.76 0.58 -5.06 115.29 119.67 2khq s HIS 63 Ca -0.03 -0.60 -0.12 0.00 -0.15 0.00 0.00 55.06 54.16 2khq s HIS 63 Cb 0.03 -0.77 0.16 0.00 1.11 0.00 0.00 32.58 33.11 2khq s HIS 63 CO 0.24 0.31 1.09 -1.12 -0.85 0.00 0.00 174.74 174.41 2khq s SER 64 N -3.27 2.92 0.20 1.40 0.01 -1.26 -4.45 113.70 109.24 2khq s SER 64 Ca 0.21 1.50 -0.12 0.00 1.31 0.00 0.00 55.95 58.86 2khq s SER 64 Cb -0.00 -2.17 0.14 0.00 0.21 0.00 0.00 66.02 64.20 2khq s SER 64 CO 0.06 -2.99 1.85 0.22 0.41 0.00 0.00 173.24 172.79 2khq h TYR 65 N -1.79 0.79 0.00 2.43 3.20 -1.90 -0.81 116.97 118.90 2khq h TYR 65 Ca -0.52 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.29 2khq h TYR 65 Cb 1.30 -0.26 -0.01 0.00 1.54 0.00 0.00 36.73 39.29 2khq h TYR 65 CO 0.39 0.48 -0.42 0.93 -1.64 0.00 0.00 178.16 177.89 2khq h GLU 66 N 0.84 0.00 -0.10 1.82 5.08 -1.92 0.18 114.58 120.48 2khq h GLU 66 Ca 0.25 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.59 2khq h GLU 66 Cb -0.05 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.20 2khq h GLU 66 CO -0.08 0.42 -0.01 1.15 -1.00 0.00 0.00 179.01 179.49 2khq h THR 67 N 0.00 1.28 -0.13 1.13 2.02 -1.64 0.24 112.91 115.80 2khq h THR 67 Ca -0.00 -0.89 -0.15 0.00 0.77 0.00 0.00 66.41 66.13 2khq h THR 67 Cb 0.84 1.68 -0.01 0.00 -1.74 0.00 0.00 68.15 68.92 2khq h THR 67 CO 0.06 0.25 -0.56 -0.29 0.37 0.00 0.00 175.52 175.34 2khq h ILE 68 N -0.13 1.35 -0.42 3.11 2.10 -1.07 -0.61 117.51 121.83 2khq h ILE 68 Ca 0.03 -1.85 -0.04 0.00 1.08 0.00 0.00 64.86 64.08 2khq h ILE 68 Cb 0.40 1.86 -0.02 0.00 -1.09 0.00 0.00 36.82 37.97 2khq h ILE 68 CO 0.01 0.56 0.11 -0.09 -1.08 0.00 0.00 178.15 177.67 2khq h ARG 69 N 0.31 0.67 -0.23 2.19 2.43 -0.56 0.26 114.38 119.46 2khq h ARG 69 Ca 0.00 -0.16 -0.00 0.00 -0.81 0.00 0.00 59.98 59.01 2khq h ARG 69 Cb 1.08 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.53 2khq h ARG 69 CO 0.10 0.67 0.13 -0.22 -1.51 0.00 0.00 179.97 179.14 2khq h LYS 70 N 0.55 0.32 -0.04 0.20 1.63 -0.41 0.16 116.57 118.97 2khq h LYS 70 Ca 0.13 -0.04 0.04 0.00 -0.85 0.00 0.00 60.65 59.94 2khq h LYS 70 Cb 0.30 -0.06 -0.05 0.00 -0.60 0.00 0.00 32.23 31.81 2khq h LYS 70 CO -0.00 0.29 -0.30 1.25 -3.45 0.00 0.00 179.45 177.24 2khq h LEU 71 N 0.26 -0.91 -0.99 5.20 5.85 -0.88 -0.79 115.31 123.06 2khq h LEU 71 Ca 0.08 0.13 0.09 0.00 0.84 0.00 0.00 57.88 59.01 2khq h LEU 71 Cb 0.06 0.37 -0.07 0.00 0.37 0.00 0.00 40.66 41.39 2khq h LEU 71 CO -0.01 -0.36 0.63 -1.13 -0.34 0.00 0.00 178.44 177.23 2khq h ASN 72 N -0.42 0.98 -0.72 1.25 -1.24 -0.27 -1.25 115.58 113.91 2khq h ASN 72 Ca 0.07 0.03 -0.04 0.00 0.71 0.00 0.00 56.30 57.07 2khq h ASN 72 Cb 0.53 -0.18 -0.03 0.00 0.73 0.00 0.00 38.32 39.37 2khq h ASN 72 CO -0.28 0.59 0.28 0.28 -1.29 0.00 0.00 177.43 177.00 2khq h SER 73 N 1.09 1.00 -0.06 1.15 0.02 -0.29 0.03 113.55 116.50 2khq h SER 73 Ca 0.45 -0.18 -0.01 0.00 -0.84 0.00 0.00 61.79 61.22 2khq h SER 73 Cb 0.29 -0.26 -0.00 0.00 0.14 0.00 0.00 62.40 62.57 2khq h SER 73 CO -0.21 0.91 0.01 1.88 -1.14 0.00 0.00 176.83 178.28 2khq h TYR 74 N 1.04 0.11 -0.56 3.45 0.05 -0.07 -0.56 116.97 120.43 2khq h TYR 74 Ca 0.24 -0.01 -0.10 0.00 0.05 0.00 0.00 58.73 58.90 2khq h TYR 74 Cb 0.22 -0.03 -0.02 0.00 1.01 0.00 0.00 36.73 37.91 2khq h TYR 74 CO 0.02 0.30 -0.05 0.82 -1.05 0.00 0.00 178.16 178.20 2khq h ILE 75 N -0.11 1.27 -0.49 -2.88 2.04 -1.16 -0.86 117.51 115.31 2khq h ILE 75 Ca 0.02 -1.20 -0.02 0.00 1.00 0.00 0.00 64.86 64.66 2khq h ILE 75 Cb 0.25 0.91 -0.02 0.00 -0.74 0.00 0.00 36.82 37.21 2khq h ILE 75 CO 0.00 0.43 0.23 0.03 0.00 0.00 0.00 178.15 178.84 2khq h ARG 76 N 0.91 0.71 -0.50 2.37 3.08 -0.97 -0.32 114.38 119.67 2khq h ARG 76 Ca 0.15 -0.11 -0.01 0.00 0.07 0.00 0.00 59.98 60.09 2khq h ARG 76 Cb 0.61 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.51 2khq h ARG 76 CO 0.04 0.60 0.29 -0.97 -1.07 0.00 0.00 179.97 178.86 2khq h ASN 77 N 0.65 0.59 0.11 7.04 -0.00 -0.72 0.38 115.58 123.63 2khq h ASN 77 Ca 0.17 -0.03 -0.01 0.00 -0.00 0.00 0.00 56.30 56.43 2khq h ASN 77 Cb 0.12 -0.15 0.00 0.00 -0.00 0.00 0.00 38.32 38.29 2khq h ASN 77 CO -0.02 0.47 -0.05 0.00 -0.00 0.00 0.00 177.43 177.82 2khq h ALA 78 N 1.63 -0.15 -0.24 1.57 0.00 -0.76 -2.44 119.26 118.88 2khq h ALA 78 Ca 0.18 -0.25 -0.08 0.00 0.00 0.00 0.00 54.91 54.75 2khq h ALA 78 Cb -0.01 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2khq h ALA 78 CO -0.03 -0.28 -0.22 0.74 0.00 0.00 0.00 179.25 179.46 2khq h PHE 79 N -0.76 0.48 -0.52 0.00 0.04 -0.87 -1.01 116.94 114.31 2khq h PHE 79 Ca -0.02 -0.09 -0.07 0.00 2.80 0.00 0.00 57.97 60.60 2khq h PHE 79 Cb 0.55 -0.12 -0.02 0.00 2.20 0.00 0.00 35.95 38.56 2khq h PHE 79 CO 0.10 0.63 0.05 0.22 -0.60 0.00 0.00 178.31 178.70 2khq h ASP 80 N 0.39 0.80 0.19 2.17 3.58 -0.31 0.18 116.42 123.42 2khq h ASP 80 Ca 0.06 -0.18 -0.14 0.00 0.42 0.00 0.00 57.03 57.19 2khq h ASP 80 Cb 0.60 -0.21 -0.01 0.00 1.72 0.00 0.00 39.33 41.43 2khq h ASP 80 CO 0.04 0.84 -0.54 -0.78 -2.88 0.00 0.00 179.24 175.92 2khq h ASP 81 N 0.79 0.42 -0.37 2.28 3.58 -0.91 -2.16 116.42 120.05 2khq h ASP 81 Ca 0.16 -0.22 -0.06 0.00 0.42 0.00 0.00 57.03 57.33 2khq h ASP 81 Cb 0.41 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 41.33 2khq h ASP 81 CO 0.01 0.88 -0.01 0.00 -2.88 0.00 0.00 179.24 177.24 2khq h ALA 82 N 1.13 0.50 0.00 -0.78 0.00 -0.61 -2.92 119.26 116.58 2khq h ALA 82 Ca 0.01 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.61 2khq h ALA 82 Cb 1.04 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 2khq h ALA 82 CO 0.09 0.28 -0.24 0.97 0.00 0.00 0.00 179.25 180.35 2khq h ILE 83 N 0.47 1.04 -0.78 0.00 2.10 -0.54 0.19 117.51 119.99 2khq h ILE 83 Ca 0.10 -0.87 0.15 0.00 1.08 0.00 0.00 64.86 65.33 2khq h ILE 83 Cb 0.48 1.49 -0.05 0.00 -1.09 0.00 0.00 36.82 37.65 2khq h ILE 83 CO 0.02 0.24 0.52 0.45 -1.08 0.00 0.00 178.15 178.30 2khq h HIS 84 N 0.00 0.51 0.00 2.19 3.86 -1.19 -1.09 115.15 119.44 2khq h HIS 84 Ca -0.00 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.22 2khq h HIS 84 Cb 0.47 -0.16 0.00 0.00 1.06 0.00 0.00 27.41 28.77 2khq h HIS 84 CO 0.00 0.19 -1.10 0.39 0.86 0.00 0.00 177.93 178.27 2khq n GLU 85 N -4.49 0.35 -0.78 2.45 -0.58 -0.49 -4.93 120.64 112.17 2khq n GLU 85 Ca 0.15 -0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.89 2khq n GLU 85 Cb 0.54 -1.62 0.00 0.00 -0.57 0.00 0.00 31.44 29.79 2khq n GLU 85 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2khq n GLY 86 N 1.34 0.52 0.33 0.62 0.00 -0.41 -4.96 105.19 102.63 2khq n GLY 86 Ca 0.01 -0.81 -0.02 0.00 0.00 0.00 0.00 46.02 45.20 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 0.98 -3.37 1.61 5.03 -1.25 -3.44 116.97 116.52 2khq h TYR 87 Ca 0.00 -0.03 -0.35 0.00 2.58 0.00 0.00 58.73 60.93 2khq h TYR 87 Cb 0.00 -0.31 -0.14 0.00 1.55 0.00 0.00 36.73 37.83 2khq h TYR 87 CO 0.00 0.70 -0.69 0.14 -1.32 0.00 0.00 178.16 176.99 2khq s VAL 88 N -5.60 1.09 0.00 1.81 -7.23 -1.26 -4.83 120.40 104.39 2khq s VAL 88 Ca -0.11 -2.05 0.00 0.00 -1.81 0.00 0.00 61.98 58.01 2khq s VAL 88 Cb 0.17 -2.07 -0.00 0.00 0.56 0.00 0.00 36.38 35.03 2khq s VAL 88 CO 0.80 -0.56 -0.01 -0.51 -0.31 0.00 0.00 175.10 174.52 2khq s ILE 89 N -3.38 0.04 -1.31 -0.62 1.10 -1.26 -4.66 121.20 111.11 2khq s ILE 89 Ca 0.22 -0.16 -0.05 0.00 -0.51 0.00 0.00 60.65 60.15 2khq s ILE 89 Cb 0.04 -0.07 0.01 0.00 0.15 0.00 0.00 42.46 42.59 2khq s ILE 89 CO 0.04 -0.07 1.05 0.29 -2.11 0.00 0.00 174.94 174.14 2khq n LYS 90 N 2.84 -6.95 -1.71 3.50 5.02 -1.26 -4.92 118.16 114.67 2khq n LYS 90 Ca -0.14 0.80 -0.38 0.00 -2.02 0.00 0.00 58.31 56.57 2khq n LYS 90 Cb 0.59 -5.78 0.06 0.00 -0.02 0.00 0.00 35.03 29.88 2khq n LYS 90 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 2khq n ASN 91 N -3.05 2.05 0.27 4.39 6.94 -1.26 -4.70 115.26 119.90 2khq n ASN 91 Ca -0.13 0.87 0.15 0.00 -0.02 0.00 0.00 54.58 55.45 2khq n ASN 91 Cb 0.61 -1.53 0.87 0.00 -2.36 0.00 0.00 39.78 37.37 2khq n ASN 91 CO 0.00 0.00 0.00 1.55 -1.03 0.00 0.00 177.26 177.78 2khq h PRO 92 N 0.82 0.00 0.00 -0.53 0.13 -1.84 -0.60 132.00 129.98 2khq h PRO 92 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2khq h PRO 92 Cb 1.33 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.46 2khq h PRO 92 CO 0.54 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 178.56 2khq n THR 93 N -3.89 0.00 -0.19 1.56 -2.24 -1.26 -3.41 114.28 104.84 2khq n THR 93 Ca -0.02 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.70 2khq n THR 93 Cb 0.15 -0.21 0.03 0.00 -2.10 0.00 0.00 70.33 68.20 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 0.71 -3.14 4.78 3.20 -1.44 -3.37 116.97 117.70 2khq h TYR 94 Ca 0.00 0.02 -0.59 0.00 3.14 0.00 0.00 58.73 61.30 2khq h TYR 94 Cb 0.00 -0.24 -0.40 0.00 1.54 0.00 0.00 36.73 37.63 2khq h TYR 94 CO 0.00 0.44 -0.75 -1.59 -1.64 0.00 0.00 178.16 174.62 2khq s LYS 95 N -6.15 0.83 -0.02 1.82 -2.85 -1.22 -5.11 119.74 107.04 2khq s LYS 95 Ca -0.13 -1.26 0.03 0.00 -1.00 0.00 0.00 55.97 53.60 2khq s LYS 95 Cb 0.13 -2.09 0.00 0.00 -2.06 0.00 0.00 37.83 33.81 2khq s LYS 95 CO 0.75 -1.02 -0.10 0.00 0.10 0.00 0.00 175.35 175.08 2khq s ALA 96 N 1.37 0.93 0.05 0.59 0.00 -1.26 -4.80 121.76 118.65 2khq s ALA 96 Ca 0.11 -0.39 0.01 0.00 0.00 0.00 0.00 51.96 51.70 2khq s ALA 96 Cb -0.19 -0.32 -0.03 0.00 0.00 0.00 0.00 23.12 22.58 2khq s ALA 96 CO -0.20 0.16 -0.06 -1.83 0.00 0.00 0.00 175.76 173.84 2khq s GLU 97 N 0.11 0.57 -0.66 0.00 -1.05 -1.26 -5.11 118.70 111.29 2khq s GLU 97 Ca -0.02 -0.93 -0.16 0.00 -0.15 0.00 0.00 54.97 53.71 2khq s GLU 97 Cb -0.08 -0.12 0.16 0.00 -0.44 0.00 0.00 34.13 33.65 2khq s GLU 97 CO 0.00 -0.01 0.64 -0.51 0.95 0.00 0.00 175.26 176.34 2khq s LEU 98 N -2.09 6.26 -1.14 1.83 1.43 -1.26 -4.85 118.68 118.86 2khq s LEU 98 Ca -0.04 -2.08 -0.11 0.00 -1.03 0.00 0.00 54.13 50.87 2khq s LEU 98 Cb -0.04 -2.23 0.23 0.00 0.03 0.00 0.00 46.19 44.18 2khq s LEU 98 CO -0.03 -0.79 1.23 -2.28 0.23 0.00 0.00 176.35 174.71 2khq s HIS 99 N 1.25 3.93 -0.36 0.29 2.46 -1.26 -4.98 115.29 116.62 2khq s HIS 99 Ca 0.10 -2.42 -0.08 0.00 0.47 0.00 0.00 55.06 53.13 2khq s HIS 99 Cb -0.21 -4.04 0.04 0.00 -0.13 0.00 0.00 32.58 28.24 2khq s HIS 99 CO -0.01 -1.14 0.15 0.00 -2.47 0.00 0.00 174.74 171.27 2khq s ALA 100 N 0.00 3.14 -1.29 1.58 0.00 -1.26 -4.05 121.76 119.88 2khq s ALA 100 Ca 0.35 -1.82 0.27 0.00 0.00 0.00 0.00 51.96 50.76 2khq s ALA 100 Cb -0.07 -2.41 0.95 0.00 0.00 0.00 0.00 23.12 21.60 2khq s ALA 100 CO -0.05 -1.41 1.71 0.43 0.00 0.00 0.00 175.76 176.44 2khq n SER 101 N 4.86 0.41 -4.12 0.00 7.64 -0.30 -4.50 113.62 117.62 2khq n SER 101 Ca -0.12 -0.23 -0.43 0.00 1.01 0.00 0.00 58.87 59.10 2khq n SER 101 Cb 0.45 -0.06 0.00 0.00 -1.01 0.00 0.00 64.21 63.59 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 -1.24 3.93 -3.35 0.44 0.31 -1.18 -4.80 118.33 112.45 2khq n VAL 102 Ca 0.09 -3.92 -0.12 0.00 -0.01 0.00 0.00 64.34 60.38 2khq n VAL 102 Cb 0.32 -2.46 -0.08 0.00 -0.91 0.00 0.00 33.84 30.71 2khq n VAL 102 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2khq s LEU 103 N 2.10 -0.56 0.01 7.52 1.43 -1.26 -3.60 118.68 124.31 2khq s LEU 103 Ca 0.46 -0.30 -0.00 0.00 -1.03 0.00 0.00 54.13 53.26 2khq s LEU 103 Cb 0.07 0.91 -0.04 0.00 0.03 0.00 0.00 46.19 47.16 2khq s LEU 103 CO -0.01 -0.35 0.09 -1.83 0.23 0.00 0.00 176.35 174.49 2khq s GLU 104 N 2.48 3.09 -0.21 1.70 4.04 -1.26 -5.03 118.70 123.51 2khq s GLU 104 Ca 0.10 -0.49 0.11 0.00 0.04 0.00 0.00 54.97 54.73 2khq s GLU 104 Cb -0.14 -2.87 -0.22 0.00 0.02 0.00 0.00 34.13 30.92 2khq s GLU 104 CO -0.26 0.64 -0.01 0.72 -1.84 0.00 0.00 175.26 174.51 2khq n HIS 105 N 1.06 0.09 -3.83 4.83 8.25 -1.26 -4.98 115.22 119.38 2khq n HIS 105 Ca -0.12 0.02 -0.12 0.00 -0.26 0.00 0.00 57.72 57.24 2khq n HIS 105 Cb 0.52 -1.01 -0.10 0.00 1.12 0.00 0.00 29.99 30.52 2khq n HIS 105 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2khq s HIS 106 N -2.51 -0.10 -0.09 4.41 -3.43 -1.26 -5.13 115.29 107.18 2khq s HIS 106 Ca -0.20 0.20 -0.30 0.00 -0.80 0.00 0.00 55.06 53.97 2khq s HIS 106 Cb 0.07 0.02 -0.02 0.00 -1.43 0.00 0.00 32.58 31.22 2khq s HIS 106 CO 0.74 -0.23 1.13 -3.38 -2.00 0.00 0.00 174.74 171.00 2khq s HIS 107 N -0.78 3.28 -0.07 0.38 -3.43 -1.26 -5.02 115.29 108.39 2khq s HIS 107 Ca -0.09 1.34 -0.01 0.00 -0.80 0.00 0.00 55.06 55.51 2khq s HIS 107 Cb -0.05 -3.34 0.03 0.00 -1.43 0.00 0.00 32.58 27.79 2khq s HIS 107 CO 0.01 -0.93 -0.01 -1.58 -2.00 0.00 0.00 174.74 170.24 2khq s HIS 108 N 2.29 0.73 -0.10 0.38 5.04 -1.26 -5.13 115.29 117.24 2khq s HIS 108 Ca 0.53 -0.21 -0.01 0.00 -1.54 0.00 0.00 55.06 53.82 2khq s HIS 108 Cb -0.22 -0.80 0.03 0.00 0.04 0.00 0.00 32.58 31.63 2khq s HIS 108 CO 0.19 -0.32 -0.01 -1.58 -2.34 0.00 0.00 174.74 170.68 2khq s HIS 109 N 1.78 0.92 -2.85 3.88 2.46 -1.26 -5.26 115.29 114.97 2khq s HIS 109 Ca 0.02 -0.43 0.25 0.00 0.47 0.00 0.00 55.06 55.38 2khq s HIS 109 Cb -0.13 -0.94 0.45 0.00 -0.13 0.00 0.00 32.58 31.83 2khq s HIS 109 CO -0.05 -0.42 1.41 1.58 -2.47 0.00 0.00 174.74 174.79