#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 4.68 0.46 1.12 2.07 -1.26 -5.02 121.20 123.25 2khq s ILE 2 Ca 0.00 1.24 -0.15 0.00 -1.41 0.00 0.00 60.65 60.33 2khq s ILE 2 Cb 0.00 -3.90 -0.08 0.00 0.13 0.00 0.00 42.46 38.60 2khq s ILE 2 CO 0.00 0.46 0.90 0.42 -1.91 0.00 0.00 174.94 174.81 2khq s THR 3 N -1.23 4.59 0.22 4.00 -4.23 -1.26 -2.49 115.64 115.24 2khq s THR 3 Ca 0.33 1.08 -0.09 0.00 -1.18 0.00 0.00 61.69 61.83 2khq s THR 3 Cb -0.19 -3.69 0.18 0.00 1.34 0.00 0.00 72.50 70.13 2khq s THR 3 CO 0.20 -0.54 1.88 0.15 -0.54 0.00 0.00 174.62 175.77 2khq h PHE 4 N 1.28 0.98 0.08 3.99 3.57 -0.70 0.24 116.94 126.38 2khq h PHE 4 Ca -0.47 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.06 2khq h PHE 4 Cb 1.18 -0.33 -0.01 0.00 2.79 0.00 0.00 35.95 39.58 2khq h PHE 4 CO 0.63 0.59 -0.10 0.00 -2.23 0.00 0.00 178.31 177.20 2khq h ALA 5 N 1.31 -0.17 -0.56 2.41 0.00 -1.84 0.33 119.26 120.74 2khq h ALA 5 Ca 0.31 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.14 2khq h ALA 5 Cb -0.06 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 2khq h ALA 5 CO -0.09 -0.61 0.12 -0.44 0.00 0.00 0.00 179.25 178.23 2khq h ASP 6 N -0.20 0.82 -0.21 0.00 5.19 -1.85 -2.53 116.42 117.65 2khq h ASP 6 Ca 0.01 -0.16 -0.04 0.00 -0.62 0.00 0.00 57.03 56.22 2khq h ASP 6 Cb 0.21 -0.22 -0.01 0.00 0.18 0.00 0.00 39.33 39.49 2khq h ASP 6 CO -0.04 0.82 -0.04 0.22 -3.12 0.00 0.00 179.24 177.08 2khq h TYR 7 N 0.84 0.44 -0.25 4.55 3.20 -0.10 -0.80 116.97 124.86 2khq h TYR 7 Ca 0.18 -0.09 0.02 0.00 3.14 0.00 0.00 58.73 61.98 2khq h TYR 7 Cb 0.33 -0.11 -0.03 0.00 1.54 0.00 0.00 36.73 38.46 2khq h TYR 7 CO 0.02 0.63 0.09 0.35 -1.64 0.00 0.00 178.16 177.61 2khq h PHE 8 N 0.13 0.16 -0.38 -3.82 3.57 -0.19 0.58 116.94 117.00 2khq h PHE 8 Ca 0.05 0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.48 2khq h PHE 8 Cb 0.48 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.17 2khq h PHE 8 CO 0.05 0.08 -0.10 -0.92 -2.23 0.00 0.00 178.31 175.19 2khq h TYR 9 N 0.20 0.83 -0.18 0.41 3.20 -1.47 -0.74 116.97 119.23 2khq h TYR 9 Ca 0.11 -0.18 -0.01 0.00 3.14 0.00 0.00 58.73 61.79 2khq h TYR 9 Cb 0.07 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.13 2khq h TYR 9 CO -0.12 0.88 0.07 0.37 -1.64 0.00 0.00 178.16 177.71 2khq h GLN 10 N 0.54 0.27 -0.49 1.82 4.15 -0.79 0.13 115.11 120.74 2khq h GLN 10 Ca 0.09 -0.05 0.06 0.00 0.77 0.00 0.00 58.65 59.53 2khq h GLN 10 Cb 0.62 -0.04 -0.05 0.00 0.21 0.00 0.00 27.48 28.21 2khq h GLN 10 CO 0.04 0.35 0.18 2.35 -1.93 0.00 0.00 178.83 179.82 2khq h TRP 11 N 0.12 0.32 -0.15 3.99 7.01 0.22 -0.61 115.95 126.85 2khq h TRP 11 Ca 0.06 0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.08 2khq h TRP 11 Cb 0.19 -0.07 -0.01 0.00 -2.10 0.00 0.00 29.16 27.17 2khq h TRP 11 CO -0.01 0.11 0.09 -0.92 -2.79 0.00 0.00 178.44 174.93 2khq h TYR 12 N 0.36 0.19 0.00 2.65 3.20 -0.82 0.15 116.97 122.70 2khq h TYR 12 Ca 0.23 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 62.07 2khq h TYR 12 Cb 0.23 -0.06 -0.00 0.00 1.54 0.00 0.00 36.73 38.43 2khq h TYR 12 CO -0.15 0.13 -0.15 1.49 -1.64 0.00 0.00 178.16 177.84 2khq h GLU 13 N 0.19 0.00 0.00 1.82 4.81 -0.18 0.21 114.58 121.43 2khq h GLU 13 Ca 0.05 0.00 -0.19 0.00 -0.13 0.00 0.00 59.36 59.10 2khq h GLU 13 Cb -0.00 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.34 2khq h GLU 13 CO -0.01 0.15 -1.39 0.28 -0.73 0.00 0.00 179.01 177.31 2khq h VAL 14 N 0.00 0.60 0.00 0.32 2.07 -0.90 -3.38 116.25 114.96 2khq h VAL 14 Ca -0.00 -2.16 -0.20 0.00 0.82 0.00 0.00 66.70 65.16 2khq h VAL 14 Cb 0.45 2.14 -0.03 0.00 -1.52 0.00 0.00 31.29 32.32 2khq h VAL 14 CO 0.02 0.34 -1.64 -3.20 0.02 0.00 0.00 177.57 173.12 2khq n ASN 15 N -2.95 1.83 -0.00 0.57 2.85 0.02 -4.77 115.26 112.81 2khq n ASN 15 Ca -0.10 0.31 0.05 0.00 -0.11 0.00 0.00 54.58 54.74 2khq n ASN 15 Cb 0.87 -0.73 -0.07 0.00 1.24 0.00 0.00 39.78 41.10 2khq n ASN 15 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 2khq n LYS 16 N -4.26 2.61 -0.13 1.20 4.01 0.66 -4.77 118.16 117.48 2khq n LYS 16 Ca -0.31 -0.03 -0.10 0.00 -0.51 0.00 0.00 58.31 57.36 2khq n LYS 16 Cb 0.66 -1.08 -0.05 0.00 -0.51 0.00 0.00 35.03 34.05 2khq n LYS 16 CO 0.00 0.00 0.00 1.25 -1.11 0.00 0.00 177.40 177.54 2khq h LEU 17 N 0.00 -1.46 0.00 -0.35 5.85 -1.49 0.95 115.31 118.81 2khq h LEU 17 Ca 0.00 0.22 0.00 0.00 0.84 0.00 0.00 57.88 58.94 2khq h LEU 17 Cb 0.32 0.64 0.00 0.00 0.37 0.00 0.00 40.66 41.99 2khq h LEU 17 CO 0.00 -0.37 0.00 -0.81 -0.34 0.00 0.00 178.44 176.92 2khq n PRO 18 N -5.41 0.86 -0.05 5.25 -0.04 -1.26 -3.60 135.00 130.76 2khq n PRO 18 Ca -0.01 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.42 2khq n PRO 18 Cb 0.35 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.22 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 -1.05 0.00 -3.72 0.54 8.25 0.11 -4.99 115.22 114.36 2khq n HIS 19 Ca 0.21 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.31 2khq n HIS 19 Cb 0.13 -0.51 -0.06 0.00 1.12 0.00 0.00 29.99 30.67 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 -2.41 5.27 0.87 1.59 -7.23 0.05 -5.09 120.40 113.45 2khq s VAL 20 Ca -0.05 0.35 -0.13 0.00 -1.81 0.00 0.00 61.98 60.33 2khq s VAL 20 Cb 0.04 -3.57 0.14 0.00 0.56 0.00 0.00 36.38 33.55 2khq s VAL 20 CO 0.49 0.46 1.22 -0.44 -0.31 0.00 0.00 175.10 176.52 2khq s SER 21 N -1.42 3.89 0.36 4.85 0.01 -1.26 -4.80 113.70 115.33 2khq s SER 21 Ca 0.24 0.47 0.06 0.00 1.31 0.00 0.00 55.95 58.04 2khq s SER 21 Cb -0.14 -0.77 0.75 0.00 0.21 0.00 0.00 66.02 66.08 2khq s SER 21 CO 0.13 -2.26 1.93 1.05 0.41 0.00 0.00 173.24 174.50 2khq h GLU 22 N -1.27 0.73 -0.85 12.44 9.09 -1.98 -0.14 114.58 132.61 2khq h GLU 22 Ca -0.45 -0.04 0.08 0.00 0.05 0.00 0.00 59.36 59.00 2khq h GLU 22 Cb 1.28 -0.17 -0.07 0.00 -1.65 0.00 0.00 28.75 28.15 2khq h GLU 22 CO 0.52 0.49 0.51 0.77 0.05 0.00 0.00 179.01 181.34 2khq h SER 23 N 0.76 0.76 0.93 3.06 0.02 -2.01 -1.11 113.55 115.96 2khq h SER 23 Ca 0.36 0.03 -0.21 0.00 -0.84 0.00 0.00 61.79 61.13 2khq h SER 23 Cb 0.40 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.80 2khq h SER 23 CO -0.14 0.46 -1.01 0.74 -1.14 0.00 0.00 176.83 175.74 2khq h THR 24 N 0.88 1.67 -0.85 -2.27 2.02 -1.45 -3.21 112.91 109.70 2khq h THR 24 Ca 0.39 -3.30 -0.00 0.00 0.77 0.00 0.00 66.41 64.27 2khq h THR 24 Cb 0.28 2.82 -0.04 0.00 -1.74 0.00 0.00 68.15 69.47 2khq h THR 24 CO -0.21 0.95 0.52 0.11 0.37 0.00 0.00 175.52 177.26 2khq h LYS 25 N 0.01 1.15 -0.84 6.66 1.57 -0.25 -1.88 116.57 122.98 2khq h LYS 25 Ca -0.03 -0.10 0.03 0.00 -1.87 0.00 0.00 60.65 58.69 2khq h LYS 25 Cb 1.76 -0.25 -0.05 0.00 0.08 0.00 0.00 32.23 33.77 2khq h LYS 25 CO 0.14 0.80 0.55 0.00 -0.57 0.00 0.00 179.45 180.37 2khq h ARG 26 N 1.17 1.02 0.48 3.15 2.47 -1.23 0.46 114.38 121.90 2khq h ARG 26 Ca 0.31 -0.06 -0.02 0.00 -1.26 0.00 0.00 59.98 58.94 2khq h ARG 26 Cb -0.07 -0.23 0.00 0.00 -1.65 0.00 0.00 29.97 28.03 2khq h ARG 26 CO -0.06 0.67 -0.23 0.45 0.56 0.00 0.00 179.97 181.36 2khq h HIS 27 N 1.05 -0.59 -0.50 3.04 3.86 -1.42 -1.39 115.15 119.19 2khq h HIS 27 Ca 0.33 -0.01 -0.04 0.00 -1.16 0.00 0.00 60.37 59.49 2khq h HIS 27 Cb 0.03 0.20 -0.02 0.00 1.06 0.00 0.00 27.41 28.67 2khq h HIS 27 CO -0.00 -0.36 0.14 1.88 0.86 0.00 0.00 177.93 180.45 2khq h TYR 28 N -0.67 0.82 -0.01 2.45 0.05 -1.16 -0.75 116.97 117.70 2khq h TYR 28 Ca -0.07 -0.09 -0.12 0.00 0.05 0.00 0.00 58.73 58.51 2khq h TYR 28 Cb 0.51 -0.23 -0.02 0.00 1.01 0.00 0.00 36.73 38.00 2khq h TYR 28 CO -0.04 0.72 -0.54 0.93 -1.05 0.00 0.00 178.16 178.19 2khq h GLU 29 N 0.68 0.03 -0.07 4.88 5.08 -0.93 0.24 114.58 124.49 2khq h GLU 29 Ca 0.16 -0.02 -0.22 0.00 -1.00 0.00 0.00 59.36 58.28 2khq h GLU 29 Cb 0.30 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.56 2khq h GLU 29 CO -0.00 0.56 -0.85 0.77 -1.00 0.00 0.00 179.01 178.49 2khq h SER 30 N 0.02 0.72 -0.47 1.42 0.02 -1.09 -2.61 113.55 111.58 2khq h SER 30 Ca -0.00 -0.51 -0.02 0.00 -0.84 0.00 0.00 61.79 60.41 2khq h SER 30 Cb 0.97 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 63.27 2khq h SER 30 CO 0.07 1.30 0.22 0.00 -1.14 0.00 0.00 176.83 177.28 2khq h ALA 31 N 0.67 0.60 -0.49 3.77 0.00 -0.71 -2.72 119.26 120.38 2khq h ALA 31 Ca -0.07 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 54.76 2khq h ALA 31 Cb 1.47 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 19.03 2khq h ALA 31 CO 0.16 0.17 0.25 -0.92 0.00 0.00 0.00 179.25 178.91 2khq h TYR 32 N 0.61 0.45 -0.24 0.00 3.20 -0.51 -0.37 116.97 120.12 2khq h TYR 32 Ca 0.16 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.96 2khq h TYR 32 Cb 0.13 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.26 2khq h TYR 32 CO -0.01 0.22 -0.24 1.57 -1.64 0.00 0.00 178.16 178.06 2khq h LYS 33 N 0.48 0.45 -0.12 1.82 2.10 -1.38 0.29 116.57 120.21 2khq h LYS 33 Ca 0.22 -0.16 -0.13 0.00 -2.00 0.00 0.00 60.65 58.57 2khq h LYS 33 Cb 0.13 -0.03 -0.01 0.00 -0.90 0.00 0.00 32.23 31.41 2khq h LYS 33 CO -0.15 0.66 -0.49 0.45 -2.00 0.00 0.00 179.45 177.92 2khq h HIS 34 N 0.40 0.40 -0.18 0.07 3.86 -1.12 -0.89 115.15 117.68 2khq h HIS 34 Ca 0.06 -0.13 -0.04 0.00 -1.16 0.00 0.00 60.37 59.11 2khq h HIS 34 Cb 0.64 -0.08 -0.01 0.00 1.06 0.00 0.00 27.41 29.03 2khq h HIS 34 CO 0.02 0.76 -0.03 0.82 0.86 0.00 0.00 177.93 180.36 2khq h ILE 35 N 0.26 1.28 -0.61 2.45 2.04 -0.43 -2.03 117.51 120.47 2khq h ILE 35 Ca 0.01 -0.96 -0.02 0.00 1.00 0.00 0.00 64.86 64.90 2khq h ILE 35 Cb 0.96 1.54 -0.03 0.00 -0.74 0.00 0.00 36.82 38.55 2khq h ILE 35 CO 0.08 0.29 0.32 0.50 0.00 0.00 0.00 178.15 179.34 2khq h LYS 36 N 0.07 0.85 0.04 2.37 3.64 -0.88 0.40 116.57 123.06 2khq h LYS 36 Ca 0.05 -0.10 -0.00 0.00 -1.27 0.00 0.00 60.65 59.33 2khq h LYS 36 Cb 0.45 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.10 2khq h LYS 36 CO 0.01 0.64 -0.02 0.22 -2.27 0.00 0.00 179.45 178.03 2khq h ASP 37 N 0.85 -0.05 0.00 4.20 3.58 -1.00 -3.33 116.42 120.67 2khq h ASP 37 Ca 0.21 -0.07 -0.06 0.00 0.42 0.00 0.00 57.03 57.54 2khq h ASP 37 Cb 0.05 0.01 -0.01 0.00 1.72 0.00 0.00 39.33 41.11 2khq h ASP 37 CO -0.03 0.03 -0.57 0.45 -2.88 0.00 0.00 179.24 176.25 2khq h HIS 38 N -0.13 0.00 -0.53 0.28 3.86 -1.15 -3.40 115.15 114.08 2khq h HIS 38 Ca -0.01 0.00 -0.68 0.00 -1.16 0.00 0.00 60.37 58.52 2khq h HIS 38 Cb 0.11 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 28.54 2khq h HIS 38 CO -0.05 0.48 3.04 1.19 0.86 0.00 0.00 177.93 183.45 2khq n PHE 39 N -4.60 2.41 -1.90 2.45 3.72 0.14 -4.92 117.46 114.76 2khq n PHE 39 Ca -0.13 -2.91 -0.43 0.00 -0.05 0.00 0.00 57.45 53.94 2khq n PHE 39 Cb 0.34 -2.16 -0.03 0.00 -0.94 0.00 0.00 39.48 36.70 2khq n PHE 39 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 2khq s ARG 40 N 0.59 3.71 -1.62 -1.08 0.52 -1.25 -2.37 118.95 117.45 2khq s ARG 40 Ca 0.63 1.94 0.00 0.00 -0.52 0.00 0.00 55.73 57.78 2khq s ARG 40 Cb 0.19 -4.14 0.00 0.00 0.52 0.00 0.00 34.95 31.52 2khq s ARG 40 CO -0.08 -1.42 0.00 0.72 0.02 0.00 0.00 175.30 174.54 2khq n HIS 41 N 9.03 -0.11 -2.66 -0.53 8.25 -1.26 -4.94 115.22 123.00 2khq n HIS 41 Ca 0.22 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.25 2khq n HIS 41 Cb 0.44 -2.81 -0.02 0.00 1.12 0.00 0.00 29.99 28.72 2khq n HIS 41 CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 2khq s LYS 42 N -3.54 4.19 0.52 -0.41 2.47 -1.00 -4.97 119.74 117.01 2khq s LYS 42 Ca 0.00 1.25 -0.20 0.00 -1.56 0.00 0.00 55.97 55.46 2khq s LYS 42 Cb 0.00 -3.67 -0.07 0.00 -1.46 0.00 0.00 37.83 32.63 2khq s LYS 42 CO 0.00 -0.71 1.10 -0.51 0.16 0.00 0.00 175.35 175.39 2khq s LEU 43 N 3.33 3.79 0.46 5.43 1.43 -1.26 -0.06 118.68 131.81 2khq s LEU 43 Ca 0.44 2.10 0.13 0.00 -1.03 0.00 0.00 54.13 55.78 2khq s LEU 43 Cb -0.14 -4.56 1.05 0.00 0.03 0.00 0.00 46.19 42.57 2khq s LEU 43 CO 0.09 -1.06 2.04 0.25 0.23 0.00 0.00 176.35 177.90 2khq h LEU 44 N 1.36 0.08 -1.37 1.79 5.85 -1.75 -0.43 115.31 120.84 2khq h LEU 44 Ca -0.50 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.21 2khq h LEU 44 Cb 1.25 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.26 2khq h LEU 44 CO 0.58 0.16 0.00 2.29 -0.34 0.00 0.00 178.44 181.13 2khq n LYS 45 N -4.41 1.89 -3.51 1.25 -0.00 -1.26 -4.43 118.16 107.69 2khq n LYS 45 Ca -0.02 -1.35 -0.27 0.00 -0.00 0.00 0.00 58.31 56.67 2khq n LYS 45 Cb 0.17 -1.41 -0.10 0.00 -0.00 0.00 0.00 35.03 33.70 2khq n LYS 45 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 2khq n ASP 46 N 0.58 1.47 -3.74 -5.58 2.03 -0.17 -4.94 116.55 106.19 2khq n ASP 46 Ca 0.16 -2.88 -0.15 0.00 0.52 0.00 0.00 54.79 52.44 2khq n ASP 46 Cb 0.38 -0.65 -0.15 0.00 -0.72 0.00 0.00 41.12 39.98 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 -1.10 -0.08 0.33 5.18 1.01 -1.26 -4.11 121.20 121.18 2khq s ILE 47 Ca 0.32 0.23 -0.08 0.00 0.00 0.00 0.00 60.65 61.12 2khq s ILE 47 Cb 0.06 -0.19 -0.06 0.00 0.01 0.00 0.00 42.46 42.28 2khq s ILE 47 CO -0.14 0.09 0.65 -0.54 0.00 0.00 0.00 174.94 175.00 2khq s LYS 48 N 1.34 3.71 0.32 2.79 1.02 -1.26 -4.46 119.74 123.19 2khq s LYS 48 Ca -0.07 0.23 0.02 0.00 0.02 0.00 0.00 55.97 56.17 2khq s LYS 48 Cb -0.12 -2.54 0.58 0.00 -0.52 0.00 0.00 37.83 35.23 2khq s LYS 48 CO -0.05 0.12 1.93 0.07 -0.92 0.00 0.00 175.35 176.50 2khq h ARG 49 N 1.57 0.94 0.00 1.68 0.11 -1.82 -1.66 114.38 115.19 2khq h ARG 49 Ca -0.47 -0.06 -0.10 0.00 0.10 0.00 0.00 59.98 59.45 2khq h ARG 49 Cb 1.19 -0.21 -0.01 0.00 1.11 0.00 0.00 29.97 32.04 2khq h ARG 49 CO 0.65 0.62 -0.49 1.15 0.10 0.00 0.00 179.97 182.00 2khq h THR 50 N 0.97 1.24 -0.13 0.08 2.02 -1.88 0.60 112.91 115.81 2khq h THR 50 Ca 0.36 -1.74 -0.17 0.00 0.77 0.00 0.00 66.41 65.63 2khq h THR 50 Cb 0.18 1.96 -0.00 0.00 -1.74 0.00 0.00 68.15 68.55 2khq h THR 50 CO -0.13 0.48 -0.63 -0.33 0.37 0.00 0.00 175.52 175.28 2khq h GLU 51 N 0.00 0.49 -0.22 6.66 5.08 -1.71 0.25 114.58 125.13 2khq h GLU 51 Ca -0.00 -0.35 -0.18 0.00 -1.00 0.00 0.00 59.36 57.83 2khq h GLU 51 Cb 0.93 0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.23 2khq h GLU 51 CO 0.06 0.97 -0.56 -0.92 -1.00 0.00 0.00 179.01 177.56 2khq h TYR 52 N 0.36 0.98 -0.47 4.33 3.20 -1.16 -0.55 116.97 123.66 2khq h TYR 52 Ca -0.01 -0.38 0.06 0.00 3.14 0.00 0.00 58.73 61.54 2khq h TYR 52 Cb 1.19 -0.17 -0.05 0.00 1.54 0.00 0.00 36.73 39.24 2khq h TYR 52 CO 0.05 1.19 0.19 0.37 -1.64 0.00 0.00 178.16 178.31 2khq h GLN 53 N 0.49 0.36 0.09 1.82 -0.00 -0.74 0.44 115.11 117.58 2khq h GLN 53 Ca -0.01 -0.02 0.02 0.00 -0.00 0.00 0.00 58.65 58.64 2khq h GLN 53 Cb 1.18 -0.08 -0.03 0.00 0.00 0.00 0.00 27.48 28.54 2khq h GLN 53 CO 0.12 0.24 -0.21 -0.22 0.00 0.00 0.00 178.83 178.77 2khq h LYS 54 N 0.38 -0.37 -0.50 1.69 1.63 -0.38 -0.65 116.57 118.37 2khq h LYS 54 Ca 0.22 0.02 0.08 0.00 -0.85 0.00 0.00 60.65 60.13 2khq h LYS 54 Cb 0.20 0.08 -0.07 0.00 -0.60 0.00 0.00 32.23 31.85 2khq h LYS 54 CO -0.21 -0.24 0.12 0.35 -3.45 0.00 0.00 179.45 176.02 2khq h PHE 55 N -0.38 0.21 -0.64 1.91 3.57 -0.61 -1.35 116.94 119.64 2khq h PHE 55 Ca 0.03 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.49 2khq h PHE 55 Cb 0.41 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 39.11 2khq h PHE 55 CO -0.21 0.03 0.11 -0.07 -2.23 0.00 0.00 178.31 175.94 2khq h LEU 56 N 0.27 1.00 -0.27 0.59 3.38 -0.68 -0.82 115.31 118.78 2khq h LEU 56 Ca 0.25 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 2khq h LEU 56 Cb 0.31 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 2khq h LEU 56 CO -0.30 0.99 0.14 0.78 0.09 0.00 0.00 178.44 180.14 2khq h ASN 57 N 0.98 0.34 -0.49 -0.43 -0.26 -0.40 0.17 115.58 115.50 2khq h ASN 57 Ca 0.20 -0.10 -0.06 0.00 -0.56 0.00 0.00 56.30 55.78 2khq h ASN 57 Cb 0.42 -0.09 -0.02 0.00 -1.06 0.00 0.00 38.32 37.56 2khq h ASN 57 CO 0.01 0.35 0.10 -0.33 -1.06 0.00 0.00 177.43 176.49 2khq h GLU 58 N 0.31 0.86 -0.38 0.81 4.39 -1.09 -2.66 114.58 116.82 2khq h GLU 58 Ca 0.09 -0.19 -0.13 0.00 0.34 0.00 0.00 59.36 59.47 2khq h GLU 58 Cb 0.08 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.61 2khq h GLU 58 CO -0.01 0.79 -0.25 -0.92 -1.16 0.00 0.00 179.01 177.46 2khq h TYR 59 N 0.82 0.99 0.00 4.33 3.20 -0.76 -2.90 116.97 122.65 2khq h TYR 59 Ca 0.17 -0.27 0.00 0.00 3.14 0.00 0.00 58.73 61.78 2khq h TYR 59 Cb 0.35 -0.22 0.00 0.00 1.54 0.00 0.00 36.73 38.40 2khq h TYR 59 CO 0.02 1.05 0.00 0.41 -1.64 0.00 0.00 178.16 178.00 2khq n GLY 60 N 0.02 -1.01 0.05 1.82 0.00 0.54 -2.04 105.19 104.58 2khq n GLY 60 Ca -0.02 -0.12 0.13 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.24 0.51 -0.41 0.99 4.77 -1.02 -1.60 117.00 119.00 2khq n LEU 61 Ca 0.12 0.43 0.00 0.00 -0.03 0.00 0.00 56.01 56.53 2khq n LEU 61 Cb 0.17 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 40.92 2khq n LEU 61 CO 0.17 -0.07 0.25 1.07 -1.33 0.00 0.00 177.39 177.48 2khq n THR 62 N -1.92 0.00 -3.92 -5.08 5.66 -0.98 -4.65 114.28 103.39 2khq n THR 62 Ca 0.06 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 60.97 2khq n THR 62 Cb 0.39 0.55 -0.08 0.00 -1.55 0.00 0.00 70.33 69.64 2khq n THR 62 CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 175.07 171.02 2khq s HIS 63 N 0.00 0.24 0.70 1.09 3.76 -0.87 -5.10 115.29 115.11 2khq s HIS 63 Ca 0.00 -0.65 -0.11 0.00 -0.15 0.00 0.00 55.06 54.15 2khq s HIS 63 Cb 0.00 -0.15 0.01 0.00 1.11 0.00 0.00 32.58 33.56 2khq s HIS 63 CO 0.00 -0.47 1.07 -1.12 -0.85 0.00 0.00 174.74 173.37 2khq s SER 64 N -2.68 5.38 0.21 1.40 0.01 -1.26 -4.53 113.70 112.24 2khq s SER 64 Ca 0.03 1.39 -0.10 0.00 1.31 0.00 0.00 55.95 58.58 2khq s SER 64 Cb 0.04 -2.26 0.17 0.00 0.21 0.00 0.00 66.02 64.18 2khq s SER 64 CO -0.09 -1.41 1.89 0.22 0.41 0.00 0.00 173.24 174.25 2khq h TYR 65 N -0.70 0.98 -0.06 2.43 3.20 -1.93 -1.74 116.97 119.16 2khq h TYR 65 Ca -0.45 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.36 2khq h TYR 65 Cb 1.23 -0.33 -0.01 0.00 1.54 0.00 0.00 36.73 39.16 2khq h TYR 65 CO 0.57 0.62 -0.35 0.93 -1.64 0.00 0.00 178.16 178.29 2khq h GLU 66 N 1.05 0.12 -0.29 1.82 5.08 -1.98 0.16 114.58 120.55 2khq h GLU 66 Ca 0.28 -0.05 -0.08 0.00 -1.00 0.00 0.00 59.36 58.52 2khq h GLU 66 Cb -0.12 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 2khq h GLU 66 CO -0.06 0.46 -0.13 1.15 -1.00 0.00 0.00 179.01 179.42 2khq h THR 67 N 0.10 1.29 -0.08 1.13 2.02 -1.72 -0.64 112.91 115.02 2khq h THR 67 Ca 0.01 -1.23 -0.16 0.00 0.77 0.00 0.00 66.41 65.81 2khq h THR 67 Cb 0.67 1.48 -0.01 0.00 -1.74 0.00 0.00 68.15 68.55 2khq h THR 67 CO 0.05 0.39 -0.63 -0.29 0.37 0.00 0.00 175.52 175.41 2khq h ILE 68 N 0.35 1.39 -0.46 3.11 2.10 -1.21 -1.38 117.51 121.40 2khq h ILE 68 Ca 0.07 -2.02 0.04 0.00 1.08 0.00 0.00 64.86 64.02 2khq h ILE 68 Cb 0.65 2.02 -0.04 0.00 -1.09 0.00 0.00 36.82 38.36 2khq h ILE 68 CO 0.04 0.60 0.23 -0.09 -1.08 0.00 0.00 178.15 177.85 2khq h ARG 69 N 0.21 0.44 -0.47 2.19 9.65 -0.46 0.21 114.38 126.15 2khq h ARG 69 Ca -0.01 -0.03 -0.14 0.00 -1.10 0.00 0.00 59.98 58.71 2khq h ARG 69 Cb 1.16 -0.10 -0.01 0.00 -1.39 0.00 0.00 29.97 29.63 2khq h ARG 69 CO 0.10 0.29 -0.25 0.87 2.80 0.00 0.00 179.97 183.78 2khq h LYS 70 N 0.45 0.99 -0.25 0.20 6.56 -1.00 -2.73 116.57 120.79 2khq h LYS 70 Ca 0.20 -0.44 0.06 0.00 -1.06 0.00 0.00 60.65 59.41 2khq h LYS 70 Cb 0.12 -0.02 -0.06 0.00 -0.57 0.00 0.00 32.23 31.70 2khq h LYS 70 CO -0.15 1.12 -0.14 1.25 -2.06 0.00 0.00 179.45 179.47 2khq h LEU 71 N 0.85 -0.46 -0.20 2.94 5.85 -0.78 -2.15 115.31 121.37 2khq h LEU 71 Ca 0.10 0.11 0.06 0.00 0.84 0.00 0.00 57.88 58.98 2khq h LEU 71 Cb 0.83 0.25 -0.07 0.00 0.37 0.00 0.00 40.66 42.05 2khq h LEU 71 CO 0.07 -0.18 -0.25 -1.13 -0.34 0.00 0.00 178.44 176.61 2khq h ASN 72 N -0.11 -0.80 -0.30 1.25 -1.24 -0.87 -2.03 115.58 111.47 2khq h ASN 72 Ca 0.14 0.13 0.03 0.00 0.71 0.00 0.00 56.30 57.31 2khq h ASN 72 Cb 0.32 0.36 -0.02 0.00 0.73 0.00 0.00 38.32 39.72 2khq h ASN 72 CO -0.33 -0.29 0.20 0.77 -1.29 0.00 0.00 177.43 176.49 2khq h SER 73 N -0.29 0.25 0.23 1.15 4.64 -1.14 0.37 113.55 118.76 2khq h SER 73 Ca 0.12 -0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.43 2khq h SER 73 Cb 0.47 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 2khq h SER 73 CO -0.36 0.17 -0.11 1.88 -0.87 0.00 0.00 176.83 177.55 2khq h TYR 74 N 0.29 -0.28 -0.66 4.77 0.05 -0.83 -1.50 116.97 118.81 2khq h TYR 74 Ca 0.12 -0.01 -0.05 0.00 0.05 0.00 0.00 58.73 58.85 2khq h TYR 74 Cb 0.13 0.09 -0.03 0.00 1.01 0.00 0.00 36.73 37.94 2khq h TYR 74 CO -0.00 0.10 0.23 0.82 -1.05 0.00 0.00 178.16 178.25 2khq h ILE 75 N -0.79 1.25 -0.62 -2.88 2.04 -0.90 -0.68 117.51 114.92 2khq h ILE 75 Ca -0.03 -0.82 0.01 0.00 1.00 0.00 0.00 64.86 65.02 2khq h ILE 75 Cb 0.51 0.54 -0.03 0.00 -0.74 0.00 0.00 36.82 37.10 2khq h ILE 75 CO 0.05 0.32 0.41 -0.09 0.00 0.00 0.00 178.15 178.84 2khq h ARG 76 N 0.94 0.81 -0.33 2.37 2.43 -0.36 -1.60 114.38 118.64 2khq h ARG 76 Ca 0.21 -0.05 -0.08 0.00 -0.81 0.00 0.00 59.98 59.26 2khq h ARG 76 Cb 0.26 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.61 2khq h ARG 76 CO -0.01 0.53 -0.13 -0.97 -1.51 0.00 0.00 179.97 177.88 2khq h ASN 77 N 0.83 0.57 -0.00 -3.80 -0.00 -0.73 0.30 115.58 112.74 2khq h ASN 77 Ca 0.23 -0.16 -0.00 0.00 -0.00 0.00 0.00 56.30 56.37 2khq h ASN 77 Cb -0.08 -0.15 -0.00 0.00 -0.00 0.00 0.00 38.32 38.09 2khq h ASN 77 CO -0.06 0.73 0.00 0.00 -0.00 0.00 0.00 177.43 178.10 2khq h ALA 78 N 1.33 0.00 -0.17 1.57 0.00 -0.65 -0.03 119.26 121.31 2khq h ALA 78 Ca 0.09 -0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.81 2khq h ALA 78 Cb 0.54 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 2khq h ALA 78 CO 0.03 -0.42 -0.40 0.74 0.00 0.00 0.00 179.25 179.20 2khq h PHE 79 N -0.14 0.47 -0.61 0.00 0.04 -1.11 -2.33 116.94 113.26 2khq h PHE 79 Ca 0.00 -0.13 -0.08 0.00 2.80 0.00 0.00 57.97 60.56 2khq h PHE 79 Cb 0.15 -0.10 -0.02 0.00 2.20 0.00 0.00 35.95 38.17 2khq h PHE 79 CO -0.03 0.74 0.05 0.22 -0.60 0.00 0.00 178.31 178.69 2khq h ASP 80 N 0.33 0.98 -0.16 2.17 3.58 -0.20 0.18 116.42 123.30 2khq h ASP 80 Ca 0.03 -0.25 -0.01 0.00 0.42 0.00 0.00 57.03 57.22 2khq h ASP 80 Cb 0.85 -0.26 -0.01 0.00 1.72 0.00 0.00 39.33 41.63 2khq h ASP 80 CO 0.07 1.01 0.05 -0.78 -2.88 0.00 0.00 179.24 176.71 2khq h ASP 81 N 0.95 0.24 -0.52 2.28 3.58 -0.91 -1.55 116.42 120.48 2khq h ASP 81 Ca 0.18 -0.20 0.05 0.00 0.42 0.00 0.00 57.03 57.48 2khq h ASP 81 Cb 0.47 -0.06 -0.05 0.00 1.72 0.00 0.00 39.33 41.41 2khq h ASP 81 CO 0.02 0.38 0.25 0.00 -2.88 0.00 0.00 179.24 177.01 2khq h ALA 82 N 0.87 0.67 -0.10 -0.78 0.00 -0.91 -1.56 119.26 117.45 2khq h ALA 82 Ca 0.05 0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.86 2khq h ALA 82 Cb 0.22 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2khq h ALA 82 CO -0.00 -0.11 -0.52 0.97 0.00 0.00 0.00 179.25 179.59 2khq h ILE 83 N 0.49 1.35 0.00 0.00 2.10 -0.61 0.34 117.51 121.18 2khq h ILE 83 Ca 0.24 -1.79 -0.04 0.00 1.08 0.00 0.00 64.86 64.34 2khq h ILE 83 Cb 0.17 1.85 -0.01 0.00 -1.09 0.00 0.00 36.82 37.75 2khq h ILE 83 CO -0.18 0.53 -0.19 0.45 -1.08 0.00 0.00 178.15 177.69 2khq h HIS 84 N 0.22 0.00 -0.01 2.19 3.86 -0.65 -1.28 115.15 119.48 2khq h HIS 84 Ca 0.01 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.22 2khq h HIS 84 Cb 1.00 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.47 2khq h HIS 84 CO 0.02 0.19 -0.35 0.39 0.86 0.00 0.00 177.93 179.04 2khq n GLU 85 N -3.96 0.61 -1.85 2.45 -0.58 -0.64 -4.92 120.64 111.75 2khq n GLU 85 Ca -0.02 -0.37 -0.08 0.00 -0.42 0.00 0.00 57.16 56.27 2khq n GLU 85 Cb 0.27 -1.49 -0.01 0.00 -0.57 0.00 0.00 31.44 29.64 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 1.39 0.35 0.09 0.62 0.00 -0.48 -4.93 105.19 102.23 2khq n GLY 86 Ca 0.10 -0.61 -0.12 0.00 0.00 0.00 0.00 46.02 45.39 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 0.23 -1.93 1.61 3.20 -0.58 -3.46 116.97 116.03 2khq h TYR 87 Ca -0.17 -0.17 -0.61 0.00 3.14 0.00 0.00 58.73 60.92 2khq h TYR 87 Cb 0.93 -0.01 -0.13 0.00 1.54 0.00 0.00 36.73 39.06 2khq h TYR 87 CO 0.21 1.20 -0.66 0.14 -1.64 0.00 0.00 178.16 177.41 2khq s VAL 88 N -2.64 2.35 -0.20 1.81 -7.23 -1.22 -4.95 120.40 108.33 2khq s VAL 88 Ca -0.06 -2.14 0.13 0.00 -1.81 0.00 0.00 61.98 58.11 2khq s VAL 88 Cb 0.08 -2.69 -0.21 0.00 0.56 0.00 0.00 36.38 34.11 2khq s VAL 88 CO 0.84 -0.20 -0.01 2.30 -0.31 0.00 0.00 175.10 177.72 2khq n ILE 89 N -0.84 1.31 -4.29 -0.62 -5.35 -1.26 -4.67 119.36 103.63 2khq n ILE 89 Ca -0.05 -0.73 -0.17 0.00 -0.27 0.00 0.00 62.75 61.54 2khq n ILE 89 Cb 0.63 -0.72 -0.09 0.00 -1.74 0.00 0.00 39.64 37.71 2khq n ILE 89 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 2khq s LYS 90 N -2.46 1.49 -0.28 6.28 1.02 -1.26 -5.13 119.74 119.40 2khq s LYS 90 Ca -0.15 -1.83 -0.03 0.00 0.02 0.00 0.00 55.97 53.97 2khq s LYS 90 Cb 0.06 0.02 0.03 0.00 -0.52 0.00 0.00 37.83 37.42 2khq s LYS 90 CO 0.71 -0.44 0.00 -0.80 -0.92 0.00 0.00 175.35 173.91 2khq s ASN 91 N -3.31 4.72 0.00 2.83 -0.87 -1.26 -4.94 114.94 112.11 2khq s ASN 91 Ca 0.37 -0.91 0.08 0.00 -1.57 0.00 0.00 52.86 50.83 2khq s ASN 91 Cb 0.06 -1.75 0.35 0.00 -0.02 0.00 0.00 41.25 39.89 2khq s ASN 91 CO 0.17 -0.18 1.25 -0.81 -2.57 0.00 0.00 177.10 174.95 2khq n PRO 92 N 4.73 1.24 0.00 -0.60 -0.04 -1.26 -3.95 135.00 135.11 2khq n PRO 92 Ca -0.15 -0.37 0.15 0.00 -0.04 0.00 0.00 63.50 63.10 2khq n PRO 92 Cb 0.46 -1.15 0.92 0.00 -0.04 0.00 0.00 33.50 33.69 2khq n PRO 92 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2khq n THR 93 N -0.27 0.00 -2.79 0.52 -2.24 -1.26 -4.29 114.28 103.95 2khq n THR 93 Ca 0.07 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.55 2khq n THR 93 Cb 0.10 -0.52 -0.02 0.00 -2.10 0.00 0.00 70.33 67.79 2khq n THR 93 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 2khq s TYR 94 N -2.00 3.49 -0.93 4.78 5.04 -1.25 -3.70 117.35 122.78 2khq s TYR 94 Ca 0.46 1.00 0.00 0.00 -2.44 0.00 0.00 57.07 56.09 2khq s TYR 94 Cb 0.21 -2.42 0.00 0.00 0.35 0.00 0.00 41.96 40.11 2khq s TYR 94 CO 0.36 -0.15 0.00 1.63 -1.34 0.00 0.00 175.55 176.04 2khq n LYS 95 N -1.52 -0.63 -0.78 4.97 4.76 -1.26 -4.63 118.16 119.06 2khq n LYS 95 Ca 0.02 0.77 -0.08 0.00 -2.87 0.00 0.00 58.31 56.15 2khq n LYS 95 Cb 0.54 -4.66 -0.11 0.00 -1.84 0.00 0.00 35.03 28.96 2khq n LYS 95 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2khq n ALA 96 N 0.84 5.28 -2.08 7.82 0.00 -1.24 -4.00 120.51 127.12 2khq n ALA 96 Ca -0.09 -1.19 -0.42 0.00 0.00 0.00 0.00 53.44 51.74 2khq n ALA 96 Cb 0.33 -1.98 -0.03 0.00 0.00 0.00 0.00 19.45 17.78 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 0.92 3.17 -1.18 0.00 2.02 -1.26 -4.89 118.70 117.47 2khq s GLU 97 Ca 0.44 1.07 -0.21 0.00 0.02 0.00 0.00 54.97 56.29 2khq s GLU 97 Cb 0.21 -4.22 0.00 0.00 0.10 0.00 0.00 34.13 30.22 2khq s GLU 97 CO 0.00 -2.07 1.79 -0.51 0.02 0.00 0.00 175.26 174.49 2khq s LEU 98 N 7.25 3.46 -0.48 1.80 1.43 -1.26 -4.72 118.68 126.15 2khq s LEU 98 Ca 0.72 -1.87 -0.13 0.00 -1.03 0.00 0.00 54.13 51.82 2khq s LEU 98 Cb -0.18 -2.58 0.11 0.00 0.03 0.00 0.00 46.19 43.57 2khq s LEU 98 CO 0.29 -2.03 0.39 -2.28 0.23 0.00 0.00 176.35 172.95 2khq s HIS 99 N 7.26 3.31 -0.39 0.29 2.46 -1.26 -5.04 115.29 121.93 2khq s HIS 99 Ca 0.59 -1.42 -0.10 0.00 0.47 0.00 0.00 55.06 54.61 2khq s HIS 99 Cb 0.01 -3.42 0.05 0.00 -0.13 0.00 0.00 32.58 29.08 2khq s HIS 99 CO 0.07 -0.93 0.23 0.00 -2.47 0.00 0.00 174.74 171.63 2khq s ALA 100 N 1.51 3.28 -1.23 1.58 0.00 -1.26 -4.38 121.76 121.27 2khq s ALA 100 Ca 0.04 -1.90 0.19 0.00 0.00 0.00 0.00 51.96 50.29 2khq s ALA 100 Cb -0.26 -2.62 0.90 0.00 0.00 0.00 0.00 23.12 21.14 2khq s ALA 100 CO 0.03 -1.50 1.61 0.43 0.00 0.00 0.00 175.76 176.32 2khq n SER 101 N 4.97 0.00 -3.67 0.00 7.64 -0.63 -4.16 113.62 117.77 2khq n SER 101 Ca -0.11 0.24 -0.42 0.00 1.01 0.00 0.00 58.87 59.59 2khq n SER 101 Cb 0.45 -0.39 -0.01 0.00 -1.01 0.00 0.00 64.21 63.25 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 -1.39 3.49 -3.87 0.44 0.31 -1.20 -4.80 118.33 111.31 2khq n VAL 102 Ca 0.07 -2.90 -0.30 0.00 -0.01 0.00 0.00 64.34 61.20 2khq n VAL 102 Cb 0.19 -2.60 -0.15 0.00 -0.91 0.00 0.00 33.84 30.37 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 1.91 3.25 -0.32 7.52 1.43 -1.26 -4.79 118.68 126.43 2khq s LEU 103 Ca 0.50 -1.77 -0.28 0.00 -1.03 0.00 0.00 54.13 51.55 2khq s LEU 103 Cb 0.14 -1.20 -0.02 0.00 0.03 0.00 0.00 46.19 45.14 2khq s LEU 103 CO -0.08 -0.38 1.88 -1.83 0.23 0.00 0.00 176.35 176.18 2khq s GLU 104 N 1.31 3.26 -0.18 1.70 -1.05 -1.26 -4.95 118.70 117.54 2khq s GLU 104 Ca 0.08 1.51 -0.00 0.00 -0.15 0.00 0.00 54.97 56.41 2khq s GLU 104 Cb -0.18 -4.24 0.04 0.00 -0.44 0.00 0.00 34.13 29.31 2khq s GLU 104 CO -0.16 -1.94 -0.07 -3.38 0.95 0.00 0.00 175.26 170.66 2khq s HIS 105 N 7.26 1.95 -1.05 4.83 -3.43 -1.26 -5.06 115.29 118.53 2khq s HIS 105 Ca 0.83 -1.26 -0.16 0.00 -0.80 0.00 0.00 55.06 53.67 2khq s HIS 105 Cb -0.24 -1.43 0.16 0.00 -1.43 0.00 0.00 32.58 29.65 2khq s HIS 105 CO 0.33 -0.66 1.23 -1.01 -2.00 0.00 0.00 174.74 172.63 2khq s HIS 106 N 1.55 3.39 -0.64 0.38 3.76 -1.26 -4.96 115.29 117.51 2khq s HIS 106 Ca -0.00 -1.82 -0.10 0.00 -0.15 0.00 0.00 55.06 52.99 2khq s HIS 106 Cb -0.16 -4.24 0.17 0.00 1.11 0.00 0.00 32.58 29.46 2khq s HIS 106 CO -0.08 -1.38 0.53 -1.58 -0.85 0.00 0.00 174.74 171.38 2khq s HIS 107 N 1.81 3.52 0.12 1.40 2.46 -1.26 -5.05 115.29 118.30 2khq s HIS 107 Ca 0.36 -2.09 -0.31 0.00 0.47 0.00 0.00 55.06 53.49 2khq s HIS 107 Cb -0.05 -3.56 -0.09 0.00 -0.13 0.00 0.00 32.58 28.75 2khq s HIS 107 CO -0.05 -0.95 1.64 -1.58 -2.47 0.00 0.00 174.74 171.32 2khq s HIS 108 N 0.58 2.68 0.07 3.88 2.46 -1.26 -4.99 115.29 118.70 2khq s HIS 108 Ca 0.13 0.41 -0.08 0.00 0.47 0.00 0.00 55.06 55.99 2khq s HIS 108 Cb -0.19 -3.98 -0.05 0.00 -0.13 0.00 0.00 32.58 28.22 2khq s HIS 108 CO -0.04 -3.82 0.36 -1.58 -2.47 0.00 0.00 174.74 167.18 2khq s HIS 109 N 1.95 3.57 -0.53 3.88 2.46 -1.26 -5.33 115.29 120.02 2khq s HIS 109 Ca 0.73 0.69 0.04 0.00 0.47 0.00 0.00 55.06 56.99 2khq s HIS 109 Cb -0.43 -2.08 0.03 0.00 -0.13 0.00 0.00 32.58 29.97 2khq s HIS 109 CO 0.32 0.54 0.63 -2.39 -2.47 0.00 0.00 174.74 171.37