#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 4.21 0.47 1.12 1.10 -1.26 -4.97 121.20 121.88 2khq s ILE 2 Ca 0.00 1.84 -0.22 0.00 -0.51 0.00 0.00 60.65 61.76 2khq s ILE 2 Cb 0.00 -4.09 -0.08 0.00 0.15 0.00 0.00 42.46 38.45 2khq s ILE 2 CO 0.00 0.26 1.11 0.42 -2.11 0.00 0.00 174.94 174.62 2khq s THR 3 N -1.47 3.39 0.25 4.00 -4.23 -1.26 -1.71 115.64 114.60 2khq s THR 3 Ca 0.46 0.96 -0.06 0.00 -1.18 0.00 0.00 61.69 61.88 2khq s THR 3 Cb -0.21 -3.45 0.25 0.00 1.34 0.00 0.00 72.50 70.44 2khq s THR 3 CO 0.26 -0.09 1.92 0.15 -0.54 0.00 0.00 174.62 176.32 2khq h PHE 4 N 1.84 1.24 0.38 3.99 3.57 -0.81 0.71 116.94 127.87 2khq h PHE 4 Ca -0.49 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.02 2khq h PHE 4 Cb 1.24 -0.42 0.00 0.00 2.79 0.00 0.00 35.95 39.56 2khq h PHE 4 CO 0.54 0.78 -0.18 0.00 -2.23 0.00 0.00 178.31 177.22 2khq h ALA 5 N 1.36 -0.51 0.00 2.41 0.00 -1.78 -0.03 119.26 120.72 2khq h ALA 5 Ca 0.36 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 55.05 2khq h ALA 5 Cb -0.15 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2khq h ALA 5 CO -0.08 -0.73 -0.38 -0.44 0.00 0.00 0.00 179.25 177.61 2khq h ASP 6 N -0.63 0.00 -0.24 0.00 3.32 -1.89 -2.56 116.42 114.42 2khq h ASP 6 Ca -0.05 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.88 2khq h ASP 6 Cb 0.46 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.01 2khq h ASP 6 CO 0.09 0.38 -0.31 0.22 -1.72 0.00 0.00 179.24 177.90 2khq h TYR 7 N 0.00 0.77 -0.17 4.55 3.20 -0.74 -2.29 116.97 122.28 2khq h TYR 7 Ca -0.00 -0.25 0.04 0.00 3.14 0.00 0.00 58.73 61.66 2khq h TYR 7 Cb 0.69 -0.15 -0.04 0.00 1.54 0.00 0.00 36.73 38.77 2khq h TYR 7 CO 0.00 0.98 -0.08 0.35 -1.64 0.00 0.00 178.16 177.77 2khq h PHE 8 N 0.34 -0.19 -0.46 -3.82 3.57 -0.60 0.23 116.94 116.00 2khq h PHE 8 Ca 0.03 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.46 2khq h PHE 8 Cb 0.88 0.11 -0.02 0.00 2.79 0.00 0.00 35.95 39.72 2khq h PHE 8 CO 0.08 -0.13 -0.05 -0.92 -2.23 0.00 0.00 178.31 175.06 2khq h TYR 9 N -0.06 0.94 0.25 0.41 3.20 -1.55 -1.64 116.97 118.51 2khq h TYR 9 Ca 0.10 -0.18 -0.01 0.00 3.14 0.00 0.00 58.73 61.78 2khq h TYR 9 Cb 0.21 -0.24 -0.00 0.00 1.54 0.00 0.00 36.73 38.24 2khq h TYR 9 CO -0.23 0.91 -0.14 0.37 -1.64 0.00 0.00 178.16 177.43 2khq h GLN 10 N 0.69 -0.36 -0.62 1.82 4.15 -0.94 0.38 115.11 120.22 2khq h GLN 10 Ca 0.13 0.02 0.09 0.00 0.77 0.00 0.00 58.65 59.66 2khq h GLN 10 Cb 0.57 0.08 -0.07 0.00 0.21 0.00 0.00 27.48 28.27 2khq h GLN 10 CO 0.03 -0.24 0.26 2.35 -1.93 0.00 0.00 178.83 179.30 2khq h TRP 11 N -0.37 0.45 0.07 3.99 7.01 -0.51 0.53 115.95 127.13 2khq h TRP 11 Ca -0.03 0.03 -0.00 0.00 2.11 0.00 0.00 58.89 61.00 2khq h TRP 11 Cb 0.30 -0.11 0.00 0.00 -2.10 0.00 0.00 29.16 27.25 2khq h TRP 11 CO -0.08 0.14 -0.04 -0.92 -2.79 0.00 0.00 178.44 174.76 2khq h TYR 12 N 0.46 -0.09 -0.49 2.65 3.20 -1.00 -1.95 116.97 119.74 2khq h TYR 12 Ca 0.31 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 62.20 2khq h TYR 12 Cb 0.36 0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.63 2khq h TYR 12 CO -0.15 0.14 0.33 1.49 -1.64 0.00 0.00 178.16 178.33 2khq h GLU 13 N -0.32 0.57 0.07 1.82 4.22 0.36 0.73 114.58 122.04 2khq h GLU 13 Ca -0.01 -0.03 -0.25 0.00 0.08 0.00 0.00 59.36 59.15 2khq h GLU 13 Cb 0.27 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.40 2khq h GLU 13 CO 0.02 0.38 -1.10 0.28 -2.18 0.00 0.00 179.01 176.40 2khq h VAL 14 N 0.59 1.47 0.00 0.32 2.07 -0.87 -3.39 116.25 116.43 2khq h VAL 14 Ca 0.19 -2.82 0.00 0.00 0.82 0.00 0.00 66.70 64.90 2khq h VAL 14 Cb 0.05 2.72 0.00 0.00 -1.52 0.00 0.00 31.29 32.54 2khq h VAL 14 CO -0.05 0.83 -0.08 0.59 0.02 0.00 0.00 177.57 178.88 2khq n ASN 15 N -3.62 0.28 0.19 0.57 3.02 -0.67 -4.79 115.26 110.24 2khq n ASN 15 Ca -0.07 0.04 0.13 0.00 -0.03 0.00 0.00 54.58 54.65 2khq n ASN 15 Cb 0.94 -0.28 0.27 0.00 -0.61 0.00 0.00 39.78 40.10 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 -0.08 0.00 -0.69 3.52 1.79 -1.14 -3.38 116.57 116.58 2khq h LYS 16 Ca 0.00 0.00 0.07 0.00 -2.18 0.00 0.00 60.65 58.54 2khq h LYS 16 Cb 0.08 0.00 -0.10 0.00 -1.58 0.00 0.00 32.23 30.63 2khq h LYS 16 CO 0.00 0.00 -0.56 1.25 -1.08 0.00 0.00 179.45 179.06 2khq h LEU 17 N 0.00 -1.97 -0.11 2.94 5.85 -1.16 -1.15 115.31 119.71 2khq h LEU 17 Ca 0.00 0.28 0.00 0.00 0.84 0.00 0.00 57.88 59.00 2khq h LEU 17 Cb 0.89 0.84 0.00 0.00 0.37 0.00 0.00 40.66 42.76 2khq h LEU 17 CO 0.00 -0.32 0.00 1.55 -0.34 0.00 0.00 178.44 179.33 2khq h PRO 18 N -0.21 0.00 0.00 5.25 0.14 -1.87 -3.30 132.00 132.01 2khq h PRO 18 Ca 0.12 0.00 -0.31 0.00 0.14 0.00 0.00 66.00 65.95 2khq h PRO 18 Cb 0.51 0.00 -0.05 0.00 0.14 0.00 0.00 31.00 31.60 2khq h PRO 18 CO -0.76 0.00 -1.88 0.72 0.14 0.00 0.00 178.00 176.22 2khq n HIS 19 N -2.57 0.77 -1.96 1.56 8.25 -0.68 -4.93 115.22 115.66 2khq n HIS 19 Ca 0.05 0.27 -0.31 0.00 -0.26 0.00 0.00 57.72 57.47 2khq n HIS 19 Cb 0.44 -1.14 0.00 0.00 1.12 0.00 0.00 29.99 30.41 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 -2.57 4.66 0.93 1.59 -7.23 -0.52 -5.06 120.40 112.19 2khq s VAL 20 Ca -0.07 0.94 -0.14 0.00 -1.81 0.00 0.00 61.98 60.90 2khq s VAL 20 Cb 0.07 -3.83 0.15 0.00 0.56 0.00 0.00 36.38 33.33 2khq s VAL 20 CO 0.82 -1.06 1.19 -0.55 -0.31 0.00 0.00 175.10 175.20 2khq s SER 21 N -3.97 3.41 0.10 4.85 0.15 -1.26 -4.80 113.70 112.19 2khq s SER 21 Ca 0.56 0.71 -0.18 0.00 0.70 0.00 0.00 55.95 57.73 2khq s SER 21 Cb -0.11 -1.10 -0.06 0.00 -1.71 0.00 0.00 66.02 63.05 2khq s SER 21 CO 0.50 -2.58 1.63 -0.08 1.20 0.00 0.00 173.24 173.90 2khq h GLU 22 N -1.53 0.41 -0.37 5.44 4.22 -1.97 0.11 114.58 120.90 2khq h GLU 22 Ca -0.47 -0.08 -0.00 0.00 0.08 0.00 0.00 59.36 58.88 2khq h GLU 22 Cb 1.30 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.47 2khq h GLU 22 CO 0.54 0.46 0.22 0.66 -2.18 0.00 0.00 179.01 178.72 2khq h SER 23 N 0.28 0.45 -0.98 1.04 4.64 -2.00 -2.53 113.55 114.45 2khq h SER 23 Ca 0.09 -0.06 0.07 0.00 -0.47 0.00 0.00 61.79 61.42 2khq h SER 23 Cb 0.21 -0.11 -0.07 0.00 -0.31 0.00 0.00 62.40 62.12 2khq h SER 23 CO -0.00 0.37 0.63 0.74 -0.87 0.00 0.00 176.83 177.70 2khq h THR 24 N 0.48 1.06 -0.08 2.95 2.02 -1.83 -1.61 112.91 115.90 2khq h THR 24 Ca 0.13 -0.38 0.04 0.00 0.77 0.00 0.00 66.41 66.97 2khq h THR 24 Cb 0.01 -0.15 -0.05 0.00 -1.74 0.00 0.00 68.15 66.21 2khq h THR 24 CO -0.02 0.20 -0.27 0.11 0.37 0.00 0.00 175.52 175.91 2khq h LYS 25 N 1.11 -0.36 0.00 6.66 1.57 -0.37 -2.44 116.57 122.75 2khq h LYS 25 Ca 0.43 0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 59.19 2khq h LYS 25 Cb 0.23 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 2khq h LYS 25 CO -0.18 -0.24 -0.21 0.00 -0.57 0.00 0.00 179.45 178.25 2khq h ARG 26 N -0.37 0.00 -0.63 3.15 2.47 -0.99 0.20 114.38 118.20 2khq h ARG 26 Ca 0.08 0.00 0.02 0.00 -1.26 0.00 0.00 59.98 58.82 2khq h ARG 26 Cb 0.49 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 28.78 2khq h ARG 26 CO -0.29 0.21 0.40 0.45 0.56 0.00 0.00 179.97 181.31 2khq h HIS 27 N 0.00 0.75 -0.35 3.04 3.86 -0.89 0.24 115.15 121.80 2khq h HIS 27 Ca -0.00 0.02 -0.06 0.00 -1.16 0.00 0.00 60.37 59.17 2khq h HIS 27 Cb 0.47 -0.25 -0.01 0.00 1.06 0.00 0.00 27.41 28.68 2khq h HIS 27 CO 0.00 0.45 -0.01 1.88 0.86 0.00 0.00 177.93 181.10 2khq h TYR 28 N 0.80 0.69 -0.58 2.45 -1.99 -0.34 -0.32 116.97 117.67 2khq h TYR 28 Ca 0.25 -0.12 0.07 0.00 2.00 0.00 0.00 58.73 60.93 2khq h TYR 28 Cb -0.02 -0.18 -0.06 0.00 2.00 0.00 0.00 36.73 38.47 2khq h TYR 28 CO -0.04 0.74 0.26 0.93 -0.00 0.00 0.00 178.16 180.05 2khq h GLU 29 N 0.44 0.46 -0.61 4.88 3.07 -0.62 0.47 114.58 122.66 2khq h GLU 29 Ca 0.10 -0.03 -0.09 0.00 -0.50 0.00 0.00 59.36 58.84 2khq h GLU 29 Cb 0.48 -0.10 -0.02 0.00 -0.84 0.00 0.00 28.75 28.26 2khq h GLU 29 CO 0.02 0.30 0.04 0.77 -1.40 0.00 0.00 179.01 178.74 2khq h SER 30 N 0.47 1.02 -0.02 1.42 0.02 -0.39 -1.70 113.55 114.37 2khq h SER 30 Ca 0.28 -0.27 -0.00 0.00 -0.84 0.00 0.00 61.79 60.96 2khq h SER 30 Cb 0.28 -0.27 -0.00 0.00 0.14 0.00 0.00 62.40 62.54 2khq h SER 30 CO -0.24 1.05 0.01 0.00 -1.14 0.00 0.00 176.83 176.50 2khq h ALA 31 N 1.06 0.03 -0.63 3.77 0.00 -0.32 -2.70 119.26 120.47 2khq h ALA 31 Ca 0.18 -0.07 0.08 0.00 0.00 0.00 0.00 54.91 55.10 2khq h ALA 31 Cb 0.51 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.22 2khq h ALA 31 CO 0.02 -0.40 0.29 -0.92 0.00 0.00 0.00 179.25 178.24 2khq h TYR 32 N -0.10 0.52 -0.43 0.00 3.20 0.12 0.12 116.97 120.40 2khq h TYR 32 Ca 0.01 0.03 -0.13 0.00 3.14 0.00 0.00 58.73 61.77 2khq h TYR 32 Cb 0.14 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.25 2khq h TYR 32 CO -0.03 0.20 -0.26 1.57 -1.64 0.00 0.00 178.16 178.00 2khq h LYS 33 N 0.53 0.89 -0.43 1.82 2.10 -1.28 0.80 116.57 121.00 2khq h LYS 33 Ca 0.30 -0.39 -0.14 0.00 -2.00 0.00 0.00 60.65 58.41 2khq h LYS 33 Cb 0.30 -0.02 -0.01 0.00 -0.90 0.00 0.00 32.23 31.59 2khq h LYS 33 CO -0.25 1.04 -0.29 0.45 -2.00 0.00 0.00 179.45 178.41 2khq h HIS 34 N 0.77 1.11 -0.29 0.07 3.86 -1.09 -0.92 115.15 118.67 2khq h HIS 34 Ca 0.09 -0.30 -0.01 0.00 -1.16 0.00 0.00 60.37 58.99 2khq h HIS 34 Cb 0.82 -0.25 -0.01 0.00 1.06 0.00 0.00 27.41 29.02 2khq h HIS 34 CO 0.05 1.12 0.14 0.82 0.86 0.00 0.00 177.93 180.92 2khq h ILE 35 N 0.79 1.15 -0.72 2.45 2.04 -0.60 -2.08 117.51 120.54 2khq h ILE 35 Ca 0.09 -0.43 0.00 0.00 1.00 0.00 0.00 64.86 65.52 2khq h ILE 35 Cb 0.87 0.90 -0.04 0.00 -0.74 0.00 0.00 36.82 37.82 2khq h ILE 35 CO 0.08 0.15 0.47 0.50 0.00 0.00 0.00 178.15 179.35 2khq h LYS 36 N 0.33 0.95 -0.39 2.37 3.64 -0.74 0.42 116.57 123.16 2khq h LYS 36 Ca 0.10 -0.06 -0.07 0.00 -1.27 0.00 0.00 60.65 59.34 2khq h LYS 36 Cb 0.11 -0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 31.70 2khq h LYS 36 CO -0.01 0.64 -0.05 0.22 -2.27 0.00 0.00 179.45 177.98 2khq h ASP 37 N 0.98 0.62 0.00 4.20 3.58 -0.95 -2.40 116.42 122.44 2khq h ASP 37 Ca 0.26 -0.15 -0.11 0.00 0.42 0.00 0.00 57.03 57.45 2khq h ASP 37 Cb -0.09 -0.16 -0.02 0.00 1.72 0.00 0.00 39.33 40.78 2khq h ASP 37 CO -0.05 0.72 -0.74 0.45 -2.88 0.00 0.00 179.24 176.73 2khq h HIS 38 N 0.60 0.00 -1.69 0.28 3.86 -1.16 -3.39 115.15 113.65 2khq h HIS 38 Ca 0.12 0.00 -0.69 0.00 -1.16 0.00 0.00 60.37 58.64 2khq h HIS 38 Cb 0.46 0.00 -0.23 0.00 1.06 0.00 0.00 27.41 28.69 2khq h HIS 38 CO 0.02 0.85 0.91 1.19 0.86 0.00 0.00 177.93 181.75 2khq n PHE 39 N -4.54 2.50 -0.24 2.45 3.72 0.14 -4.77 117.46 116.73 2khq n PHE 39 Ca -0.19 -2.24 0.04 0.00 -0.05 0.00 0.00 57.45 55.01 2khq n PHE 39 Cb 0.47 -1.28 0.16 0.00 -0.94 0.00 0.00 39.48 37.89 2khq n PHE 39 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2khq h ARG 40 N 3.16 0.34 -0.34 -1.08 3.08 -1.60 -2.61 114.38 115.33 2khq h ARG 40 Ca 0.52 -0.02 -0.26 0.00 0.07 0.00 0.00 59.98 60.28 2khq h ARG 40 Cb 0.28 -0.08 -0.33 0.00 0.08 0.00 0.00 29.97 29.93 2khq h ARG 40 CO 1.24 0.23 -0.90 0.72 -1.07 0.00 0.00 179.97 180.19 2khq n HIS 41 N -5.07 1.13 -3.53 3.04 8.25 -1.26 -4.97 115.22 112.81 2khq n HIS 41 Ca 0.12 -1.67 -0.37 0.00 -0.26 0.00 0.00 57.72 55.55 2khq n HIS 41 Cb 0.39 -0.25 -0.08 0.00 1.12 0.00 0.00 29.99 31.17 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 -2.79 4.17 0.67 -0.41 2.47 -0.99 -5.02 119.74 117.85 2khq s LYS 42 Ca 0.37 0.01 -0.14 0.00 -1.56 0.00 0.00 55.97 54.65 2khq s LYS 42 Cb 0.37 -3.50 0.00 0.00 -1.46 0.00 0.00 37.83 33.24 2khq s LYS 42 CO -0.05 0.09 1.08 -0.51 0.16 0.00 0.00 175.35 176.12 2khq s LEU 43 N 0.95 3.31 0.17 5.43 1.43 -1.26 -0.26 118.68 128.45 2khq s LEU 43 Ca 0.14 1.86 -0.14 0.00 -1.03 0.00 0.00 54.13 54.96 2khq s LEU 43 Cb -0.14 -4.53 0.13 0.00 0.03 0.00 0.00 46.19 41.68 2khq s LEU 43 CO 0.05 -1.56 1.74 0.25 0.23 0.00 0.00 176.35 177.05 2khq h LEU 44 N -0.21 0.08 -0.72 1.79 5.85 -1.56 -1.57 115.31 118.97 2khq h LEU 44 Ca -0.46 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.33 2khq h LEU 44 Cb 1.23 0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.33 2khq h LEU 44 CO 0.55 0.08 0.00 2.29 -0.34 0.00 0.00 178.44 181.02 2khq n LYS 45 N -5.06 1.49 -0.29 1.25 2.85 -1.26 -3.62 118.16 113.53 2khq n LYS 45 Ca 0.03 -0.72 0.10 0.00 -1.05 0.00 0.00 58.31 56.67 2khq n LYS 45 Cb 0.18 -1.45 0.25 0.00 -0.65 0.00 0.00 35.03 33.36 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 -0.11 3.55 -4.68 -5.58 2.03 -0.60 -4.74 116.55 106.42 2khq n ASP 46 Ca 0.19 -1.99 -0.42 0.00 0.52 0.00 0.00 54.79 53.09 2khq n ASP 46 Cb 0.28 -0.38 -0.03 0.00 -0.72 0.00 0.00 41.12 40.28 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 -1.04 3.58 0.05 5.18 -1.09 -1.21 -4.83 121.20 121.83 2khq s ILE 47 Ca 0.39 0.94 -0.09 0.00 -2.23 0.00 0.00 60.65 59.66 2khq s ILE 47 Cb 0.21 -3.60 -0.05 0.00 -1.58 0.00 0.00 42.46 37.43 2khq s ILE 47 CO 0.27 -0.02 0.36 -0.54 -1.23 0.00 0.00 174.94 173.78 2khq s LYS 48 N 2.70 3.72 0.39 2.79 1.02 -1.26 -4.77 119.74 124.32 2khq s LYS 48 Ca 0.67 0.12 0.05 0.00 0.02 0.00 0.00 55.97 56.83 2khq s LYS 48 Cb -0.33 -3.05 0.77 0.00 -0.52 0.00 0.00 37.83 34.70 2khq s LYS 48 CO 0.27 0.60 2.03 0.07 -0.92 0.00 0.00 175.35 177.41 2khq h ARG 49 N 3.91 0.64 -0.31 1.68 0.11 -1.95 -1.92 114.38 116.53 2khq h ARG 49 Ca -0.50 -0.04 -0.16 0.00 0.10 0.00 0.00 59.98 59.38 2khq h ARG 49 Cb 1.20 -0.14 -0.00 0.00 1.11 0.00 0.00 29.97 32.13 2khq h ARG 49 CO 0.66 0.44 -0.41 1.79 0.10 0.00 0.00 179.97 182.54 2khq h THR 50 N 0.65 1.28 -0.72 0.08 1.35 -1.94 -0.56 112.91 113.06 2khq h THR 50 Ca 0.17 -1.59 -0.04 0.00 -0.55 0.00 0.00 66.41 64.40 2khq h THR 50 Cb -0.05 1.55 -0.03 0.00 -1.73 0.00 0.00 68.15 67.89 2khq h THR 50 CO -0.04 0.52 0.30 -0.33 -0.25 0.00 0.00 175.52 175.73 2khq h GLU 51 N 0.61 1.07 -0.34 4.72 4.39 -1.80 0.25 114.58 123.49 2khq h GLU 51 Ca 0.04 -0.19 -0.09 0.00 0.34 0.00 0.00 59.36 59.46 2khq h GLU 51 Cb 1.01 -0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 29.46 2khq h GLU 51 CO 0.10 0.87 -0.18 -0.92 -1.16 0.00 0.00 179.01 177.72 2khq h TYR 52 N 1.03 0.69 -0.04 4.33 3.20 -1.33 -1.08 116.97 123.78 2khq h TYR 52 Ca 0.24 -0.13 -0.00 0.00 3.14 0.00 0.00 58.73 61.98 2khq h TYR 52 Cb 0.19 -0.17 -0.00 0.00 1.54 0.00 0.00 36.73 38.28 2khq h TYR 52 CO 0.01 0.76 0.02 0.37 -1.64 0.00 0.00 178.16 177.69 2khq h GLN 53 N 0.56 0.05 -0.05 1.82 -0.00 0.05 -1.28 115.11 116.26 2khq h GLN 53 Ca 0.09 -0.01 -0.08 0.00 -0.00 0.00 0.00 58.65 58.65 2khq h GLN 53 Cb 0.63 -0.01 -0.01 0.00 0.00 0.00 0.00 27.48 28.08 2khq h GLN 53 CO 0.04 0.13 -0.34 0.87 0.00 0.00 0.00 178.83 179.53 2khq h LYS 54 N -0.04 0.09 -0.29 1.69 6.56 -0.89 -1.57 116.57 122.13 2khq h LYS 54 Ca 0.01 -0.04 0.02 0.00 -1.06 0.00 0.00 60.65 59.58 2khq h LYS 54 Cb 0.09 -0.01 -0.02 0.00 -0.57 0.00 0.00 32.23 31.72 2khq h LYS 54 CO -0.00 0.42 0.15 0.35 -2.06 0.00 0.00 179.45 178.32 2khq h PHE 55 N 0.08 0.29 -0.40 -1.35 3.57 -0.82 -1.81 116.94 116.50 2khq h PHE 55 Ca 0.01 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.45 2khq h PHE 55 Cb 0.64 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.27 2khq h PHE 55 CO 0.00 0.16 -0.05 -0.07 -2.23 0.00 0.00 178.31 176.13 2khq h LEU 56 N 0.32 0.64 -0.95 0.59 3.38 -0.76 -1.89 115.31 116.64 2khq h LEU 56 Ca 0.12 -0.16 -0.06 0.00 0.09 0.00 0.00 57.88 57.87 2khq h LEU 56 Cb 0.02 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 2khq h LEU 56 CO -0.07 0.74 0.12 0.78 0.09 0.00 0.00 178.44 180.10 2khq h ASN 57 N 0.62 0.84 -0.07 -0.43 -0.26 -0.83 0.14 115.58 115.58 2khq h ASN 57 Ca 0.12 -0.16 -0.23 0.00 -0.56 0.00 0.00 56.30 55.46 2khq h ASN 57 Cb 0.47 -0.22 0.01 0.00 -1.06 0.00 0.00 38.32 37.52 2khq h ASN 57 CO 0.02 0.83 -0.86 -0.08 -1.06 0.00 0.00 177.43 176.29 2khq h GLU 58 N 0.85 0.74 -0.25 0.81 4.81 -1.15 -3.08 114.58 117.32 2khq h GLU 58 Ca 0.18 -0.66 -0.08 0.00 -0.13 0.00 0.00 59.36 58.67 2khq h GLU 58 Cb 0.33 0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.85 2khq h GLU 58 CO 0.00 1.26 -0.20 -0.92 -0.73 0.00 0.00 179.01 178.42 2khq h TYR 59 N 0.48 0.50 0.00 0.92 3.20 -0.95 -1.51 116.97 119.61 2khq h TYR 59 Ca -0.07 -0.09 0.00 0.00 3.14 0.00 0.00 58.73 61.71 2khq h TYR 59 Cb 1.49 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 39.63 2khq h TYR 59 CO 0.09 0.63 0.00 0.41 -1.64 0.00 0.00 178.16 177.64 2khq n GLY 60 N -0.51 -1.30 0.10 1.82 0.00 0.44 -0.28 105.19 105.46 2khq n GLY 60 Ca -0.00 -0.06 0.08 0.00 0.00 0.00 0.00 46.02 46.04 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 -1.60 0.74 -0.06 0.99 4.77 -0.61 -2.20 117.00 119.03 2khq n LEU 61 Ca 0.05 0.30 -0.05 0.00 -0.03 0.00 0.00 56.01 56.28 2khq n LEU 61 Cb 0.27 -0.01 -0.12 0.00 -2.33 0.00 0.00 43.42 41.23 2khq n LEU 61 CO 0.21 -0.08 -0.94 0.35 -1.33 0.00 0.00 177.39 175.60 2khq n THR 62 N -2.68 0.88 -4.43 -5.08 -2.24 -0.96 -4.83 114.28 94.94 2khq n THR 62 Ca -0.03 -0.59 -0.21 0.00 -2.27 0.00 0.00 64.05 60.94 2khq n THR 62 Cb 0.63 -0.51 -0.10 0.00 -2.10 0.00 0.00 70.33 68.25 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 -2.46 1.94 0.81 4.78 3.76 0.62 -5.10 115.29 119.65 2khq s HIS 63 Ca -0.07 -0.77 -0.11 0.00 -0.15 0.00 0.00 55.06 53.96 2khq s HIS 63 Cb 0.05 -1.15 0.08 0.00 1.11 0.00 0.00 32.58 32.67 2khq s HIS 63 CO 0.61 0.21 1.09 0.45 -0.85 0.00 0.00 174.74 176.25 2khq s SER 64 N -3.45 4.27 0.40 1.40 0.15 -1.26 -4.49 113.70 110.72 2khq s SER 64 Ca 0.31 1.53 0.07 0.00 0.70 0.00 0.00 55.95 58.56 2khq s SER 64 Cb 0.05 -2.25 0.84 0.00 -1.71 0.00 0.00 66.02 62.94 2khq s SER 64 CO 0.12 -2.14 2.03 0.22 1.20 0.00 0.00 173.24 174.67 2khq h TYR 65 N -1.21 0.49 -0.49 3.44 3.20 -1.91 -1.60 116.97 118.90 2khq h TYR 65 Ca -0.47 0.00 -0.11 0.00 3.14 0.00 0.00 58.73 61.30 2khq h TYR 65 Cb 1.26 -0.16 -0.02 0.00 1.54 0.00 0.00 36.73 39.35 2khq h TYR 65 CO 0.50 0.34 -0.12 1.49 -1.64 0.00 0.00 178.16 178.73 2khq h GLU 66 N 0.51 0.92 -0.01 1.82 4.81 -1.98 0.16 114.58 120.81 2khq h GLU 66 Ca 0.13 -0.33 -0.00 0.00 -0.13 0.00 0.00 59.36 59.03 2khq h GLU 66 Cb 0.02 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.33 2khq h GLU 66 CO -0.02 0.98 0.00 1.15 -0.73 0.00 0.00 179.01 180.39 2khq h THR 67 N 0.82 1.19 -0.24 0.32 2.02 -1.68 -0.45 112.91 114.88 2khq h THR 67 Ca 0.13 -0.55 -0.07 0.00 0.77 0.00 0.00 66.41 66.69 2khq h THR 67 Cb 0.66 1.54 -0.01 0.00 -1.74 0.00 0.00 68.15 68.60 2khq h THR 67 CO 0.05 0.14 -0.16 -0.29 0.37 0.00 0.00 175.52 175.63 2khq h ILE 68 N -0.22 1.23 -0.11 3.11 2.10 -1.31 0.23 117.51 122.54 2khq h ILE 68 Ca 0.00 -1.03 0.01 0.00 1.08 0.00 0.00 64.86 64.92 2khq h ILE 68 Cb 0.23 1.23 -0.01 0.00 -1.09 0.00 0.00 36.82 37.18 2khq h ILE 68 CO 0.00 0.33 0.03 -0.09 -1.08 0.00 0.00 178.15 177.34 2khq h ARG 69 N 0.38 0.08 -0.30 2.19 2.43 -0.40 0.16 114.38 118.93 2khq h ARG 69 Ca 0.07 -0.01 -0.15 0.00 -0.81 0.00 0.00 59.98 59.09 2khq h ARG 69 Cb 0.51 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.03 2khq h ARG 69 CO 0.03 0.06 -0.40 0.87 -1.51 0.00 0.00 179.97 179.02 2khq h LYS 70 N 0.09 0.73 -0.08 0.20 1.57 -0.74 -0.90 116.57 117.44 2khq h LYS 70 Ca 0.05 -0.38 0.04 0.00 -1.87 0.00 0.00 60.65 58.49 2khq h LYS 70 Cb 0.03 0.01 -0.06 0.00 0.08 0.00 0.00 32.23 32.29 2khq h LYS 70 CO -0.05 1.00 -0.31 1.25 -0.57 0.00 0.00 179.45 180.77 2khq h LEU 71 N 0.60 -0.95 -1.27 2.94 5.85 -0.28 0.20 115.31 122.39 2khq h LEU 71 Ca 0.05 0.13 0.05 0.00 0.84 0.00 0.00 57.88 58.96 2khq h LEU 71 Cb 0.95 0.40 -0.05 0.00 0.37 0.00 0.00 40.66 42.32 2khq h LEU 71 CO 0.09 -0.36 0.52 -1.13 -0.34 0.00 0.00 178.44 177.22 2khq h ASN 72 N -0.41 0.79 -0.60 1.25 -0.73 -0.53 -1.64 115.58 113.70 2khq h ASN 72 Ca 0.08 -0.00 -0.03 0.00 1.87 0.00 0.00 56.30 58.22 2khq h ASN 72 Cb 0.54 -0.17 -0.03 0.00 0.27 0.00 0.00 38.32 38.93 2khq h ASN 72 CO -0.31 0.52 0.25 -1.28 -0.37 0.00 0.00 177.43 176.24 2khq h SER 73 N 0.90 0.82 -0.37 1.15 0.87 -0.13 -0.88 113.55 115.91 2khq h SER 73 Ca 0.33 -0.16 -0.03 0.00 -1.23 0.00 0.00 61.79 60.70 2khq h SER 73 Cb 0.16 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 61.90 2khq h SER 73 CO -0.11 0.75 0.12 1.88 -0.53 0.00 0.00 176.83 178.94 2khq h TYR 74 N 0.83 0.59 -0.38 2.24 0.05 -0.28 -2.70 116.97 117.33 2khq h TYR 74 Ca 0.20 -0.06 -0.04 0.00 0.05 0.00 0.00 58.73 58.88 2khq h TYR 74 Cb 0.18 -0.17 -0.02 0.00 1.01 0.00 0.00 36.73 37.73 2khq h TYR 74 CO 0.01 0.56 0.06 0.82 -1.05 0.00 0.00 178.16 178.56 2khq h ILE 75 N 0.45 1.19 -0.13 -2.88 2.04 -1.09 -0.50 117.51 116.58 2khq h ILE 75 Ca 0.12 -0.69 -0.00 0.00 1.00 0.00 0.00 64.86 65.29 2khq h ILE 75 Cb 0.24 0.83 -0.01 0.00 -0.74 0.00 0.00 36.82 37.15 2khq h ILE 75 CO -0.00 0.24 0.08 0.03 0.00 0.00 0.00 178.15 178.50 2khq h ARG 76 N 0.55 0.17 -0.19 2.37 3.08 -0.90 -1.22 114.38 118.24 2khq h ARG 76 Ca 0.13 -0.01 -0.10 0.00 0.07 0.00 0.00 59.98 60.06 2khq h ARG 76 Cb 0.26 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 2khq h ARG 76 CO 0.00 0.15 -0.33 -0.97 -1.07 0.00 0.00 179.97 177.75 2khq h ASN 77 N 0.15 0.41 0.07 7.04 -0.73 -1.11 0.17 115.58 121.57 2khq h ASN 77 Ca 0.05 -0.15 -0.00 0.00 1.87 0.00 0.00 56.30 58.06 2khq h ASN 77 Cb 0.02 -0.11 0.00 0.00 0.27 0.00 0.00 38.32 38.50 2khq h ASN 77 CO -0.01 0.72 -0.03 0.00 -0.37 0.00 0.00 177.43 177.74 2khq h ALA 78 N 1.31 -0.09 -0.58 1.57 0.00 -0.86 0.58 119.26 121.19 2khq h ALA 78 Ca 0.04 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 2khq h ALA 78 Cb 0.75 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 2khq h ALA 78 CO 0.06 -0.54 0.05 0.74 0.00 0.00 0.00 179.25 179.56 2khq h PHE 79 N -0.12 1.02 -0.71 0.00 0.04 -1.02 -2.67 116.94 113.48 2khq h PHE 79 Ca -0.01 -0.14 -0.06 0.00 2.80 0.00 0.00 57.97 60.55 2khq h PHE 79 Cb 0.10 -0.28 -0.03 0.00 2.20 0.00 0.00 35.95 37.94 2khq h PHE 79 CO -0.07 0.89 0.20 0.22 -0.60 0.00 0.00 178.31 178.95 2khq h ASP 80 N 0.90 1.05 -0.44 2.17 1.82 -0.34 0.31 116.42 121.88 2khq h ASP 80 Ca 0.17 -0.22 -0.05 0.00 -0.39 0.00 0.00 57.03 56.55 2khq h ASP 80 Cb 0.46 -0.28 -0.02 0.00 0.68 0.00 0.00 39.33 40.17 2khq h ASP 80 CO 0.02 1.00 0.10 -0.78 -1.61 0.00 0.00 179.24 177.96 2khq h ASP 81 N 1.06 0.68 -0.23 2.28 1.82 -0.82 -2.38 116.42 118.84 2khq h ASP 81 Ca 0.22 -0.24 -0.11 0.00 -0.39 0.00 0.00 57.03 56.51 2khq h ASP 81 Cb 0.34 -0.18 -0.00 0.00 0.68 0.00 0.00 39.33 40.17 2khq h ASP 81 CO -0.00 0.75 -0.29 0.00 -1.61 0.00 0.00 179.24 178.09 2khq h ALA 82 N 0.96 0.34 -0.12 -0.78 0.00 -1.10 -3.17 119.26 115.39 2khq h ALA 82 Ca 0.14 -0.40 -0.07 0.00 0.00 0.00 0.00 54.91 54.58 2khq h ALA 82 Cb 0.34 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2khq h ALA 82 CO 0.00 0.35 -0.23 0.97 0.00 0.00 0.00 179.25 180.35 2khq h ILE 83 N 0.29 1.22 0.00 0.00 2.10 -0.39 -0.34 117.51 120.39 2khq h ILE 83 Ca 0.03 -1.03 -0.01 0.00 1.08 0.00 0.00 64.86 64.93 2khq h ILE 83 Cb 0.87 1.40 -0.00 0.00 -1.09 0.00 0.00 36.82 37.99 2khq h ILE 83 CO 0.07 0.31 -0.04 -0.74 -1.08 0.00 0.00 178.15 176.67 2khq h HIS 84 N 0.18 0.00 0.00 2.19 2.76 -1.40 -0.06 115.15 118.82 2khq h HIS 84 Ca 0.03 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.20 2khq h HIS 84 Cb 0.52 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.48 2khq h HIS 84 CO 0.01 0.04 -0.73 0.39 -1.30 0.00 0.00 177.93 176.33 2khq n GLU 85 N -3.28 0.01 -1.25 5.26 -0.58 -0.38 -4.94 120.64 115.49 2khq n GLU 85 Ca -0.01 -0.00 -0.04 0.00 -0.42 0.00 0.00 57.16 56.69 2khq n GLU 85 Cb 0.20 -1.50 -0.01 0.00 -0.57 0.00 0.00 31.44 29.56 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 1.50 0.62 0.12 0.62 0.00 -0.04 -4.92 105.19 103.09 2khq n GLY 86 Ca 0.05 -0.87 0.02 0.00 0.00 0.00 0.00 46.02 45.22 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 0.00 -3.69 1.61 3.20 -1.34 -3.46 116.97 113.29 2khq h TYR 87 Ca -0.08 0.00 -0.30 0.00 3.14 0.00 0.00 58.73 61.49 2khq h TYR 87 Cb 0.37 0.00 -0.15 0.00 1.54 0.00 0.00 36.73 38.49 2khq h TYR 87 CO 0.11 0.49 -0.67 0.54 -1.64 0.00 0.00 178.16 177.00 2khq s VAL 88 N -2.97 0.76 0.00 1.81 0.11 -1.24 -4.77 120.40 114.10 2khq s VAL 88 Ca 0.01 -1.99 0.00 0.00 -2.93 0.00 0.00 61.98 57.07 2khq s VAL 88 Cb 0.08 -2.11 0.00 0.00 -1.53 0.00 0.00 36.38 32.82 2khq s VAL 88 CO 0.77 -0.49 0.00 2.30 -3.33 0.00 0.00 175.10 174.35 2khq n ILE 89 N -0.25 0.00 -1.59 7.04 -5.35 -1.26 -4.49 119.36 113.46 2khq n ILE 89 Ca -0.07 0.00 -0.41 0.00 -0.27 0.00 0.00 62.75 62.00 2khq n ILE 89 Cb 0.63 -1.49 0.01 0.00 -1.74 0.00 0.00 39.64 37.05 2khq n ILE 89 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 2khq n LYS 90 N -0.80 1.19 -2.36 6.28 5.02 -1.26 -4.85 118.16 121.38 2khq n LYS 90 Ca 0.00 0.43 -0.43 0.00 -2.02 0.00 0.00 58.31 56.29 2khq n LYS 90 Cb 0.00 -1.97 -0.02 0.00 -0.02 0.00 0.00 35.03 33.02 2khq n LYS 90 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 2khq s ASN 91 N -0.82 6.91 0.32 4.39 3.84 -1.26 -4.89 114.94 123.43 2khq s ASN 91 Ca 0.64 1.81 0.24 0.00 0.21 0.00 0.00 52.86 55.77 2khq s ASN 91 Cb -0.55 -2.54 1.13 0.00 -0.55 0.00 0.00 41.25 38.74 2khq s ASN 91 CO 0.56 -0.76 1.73 1.55 -2.79 0.00 0.00 177.10 177.39 2khq h PRO 92 N 8.28 0.00 0.00 0.43 0.13 -1.89 -2.34 132.00 136.62 2khq h PRO 92 Ca -0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 2khq h PRO 92 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 2khq h PRO 92 CO 0.95 0.00 0.00 2.41 -0.23 0.00 0.00 178.00 181.13 2khq n THR 93 N -2.33 0.50 -0.22 1.56 -1.04 -1.26 -2.41 114.28 109.08 2khq n THR 93 Ca 0.00 0.12 0.12 0.00 -2.04 0.00 0.00 64.05 62.26 2khq n THR 93 Cb 0.15 -0.93 0.41 0.00 -1.82 0.00 0.00 70.33 68.14 2khq n THR 93 CO 0.00 0.00 0.00 0.22 -0.64 0.00 0.00 175.07 174.65 2khq h TYR 94 N 0.00 0.71 -0.56 -1.42 3.20 -1.82 -1.94 116.97 115.14 2khq h TYR 94 Ca 0.00 0.02 -0.23 0.00 3.14 0.00 0.00 58.73 61.66 2khq h TYR 94 Cb 0.08 -0.23 -0.13 0.00 1.54 0.00 0.00 36.73 37.99 2khq h TYR 94 CO 0.00 0.29 0.17 1.17 -1.64 0.00 0.00 178.16 178.15 2khq n LYS 95 N -4.52 2.58 -1.98 1.82 3.00 -1.01 -4.98 118.16 113.07 2khq n LYS 95 Ca 0.15 -3.07 -0.42 0.00 -0.00 0.00 0.00 58.31 54.98 2khq n LYS 95 Cb 0.43 -2.00 -0.03 0.00 0.00 0.00 0.00 35.03 33.44 2khq n LYS 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2khq s ALA 96 N -3.12 2.69 -0.33 3.14 0.00 -0.73 -4.80 121.76 118.60 2khq s ALA 96 Ca 0.49 0.09 -0.11 0.00 0.00 0.00 0.00 51.96 52.44 2khq s ALA 96 Cb 0.42 -4.08 -0.01 0.00 0.00 0.00 0.00 23.12 19.45 2khq s ALA 96 CO 0.07 -2.94 0.19 -1.21 0.00 0.00 0.00 175.76 171.87 2khq s GLU 97 N 6.03 3.31 -0.85 0.00 2.02 -1.26 -5.04 118.70 122.91 2khq s GLU 97 Ca 0.78 -0.75 -0.20 0.00 0.02 0.00 0.00 54.97 54.82 2khq s GLU 97 Cb -0.21 -3.66 0.11 0.00 0.10 0.00 0.00 34.13 30.47 2khq s GLU 97 CO 0.31 -0.46 1.09 -0.51 0.02 0.00 0.00 175.26 175.71 2khq s LEU 98 N 1.64 4.77 -1.05 1.80 1.43 -1.26 -4.50 118.68 121.51 2khq s LEU 98 Ca 0.05 -1.69 -0.11 0.00 -1.03 0.00 0.00 54.13 51.35 2khq s LEU 98 Cb -0.17 -2.41 0.26 0.00 0.03 0.00 0.00 46.19 43.89 2khq s LEU 98 CO 0.07 -1.20 1.04 -1.00 0.23 0.00 0.00 176.35 175.50 2khq s HIS 99 N 3.22 4.11 -0.58 0.29 3.76 -1.26 -4.98 115.29 119.85 2khq s HIS 99 Ca 0.30 -2.49 -0.21 0.00 -0.15 0.00 0.00 55.06 52.51 2khq s HIS 99 Cb -0.08 -3.86 0.07 0.00 1.11 0.00 0.00 32.58 29.81 2khq s HIS 99 CO -0.04 -0.99 0.83 0.00 -0.85 0.00 0.00 174.74 173.70 2khq s ALA 100 N -0.77 3.24 -2.04 -1.40 0.00 -1.26 -4.23 121.76 115.30 2khq s ALA 100 Ca 0.28 -1.73 0.17 0.00 0.00 0.00 0.00 51.96 50.68 2khq s ALA 100 Cb -0.10 -3.64 0.48 0.00 0.00 0.00 0.00 23.12 19.86 2khq s ALA 100 CO -0.08 -2.41 1.40 0.45 0.00 0.00 0.00 175.76 175.12 2khq n SER 101 N 7.03 2.77 -4.58 0.00 2.88 -0.93 -4.72 113.62 116.07 2khq n SER 101 Ca -0.04 -1.98 -0.40 0.00 -1.33 0.00 0.00 58.87 55.12 2khq n SER 101 Cb 0.45 -0.33 -0.02 0.00 -0.75 0.00 0.00 64.21 63.57 2khq n SER 101 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2khq s VAL 102 N -1.34 3.97 -0.38 2.46 1.01 -1.24 -4.88 120.40 120.02 2khq s VAL 102 Ca 0.35 -1.57 -0.02 0.00 0.00 0.00 0.00 61.98 60.74 2khq s VAL 102 Cb 0.18 -5.04 0.09 0.00 0.00 0.00 0.00 36.38 31.62 2khq s VAL 102 CO 0.24 -1.80 0.14 -0.76 0.00 0.00 0.00 175.10 172.93 2khq s LEU 103 N 5.72 4.86 0.20 3.92 1.43 -1.26 -4.91 118.68 128.64 2khq s LEU 103 Ca 0.56 -1.81 0.18 0.00 -1.03 0.00 0.00 54.13 52.03 2khq s LEU 103 Cb 0.02 -1.79 0.00 0.00 0.03 0.00 0.00 46.19 44.45 2khq s LEU 103 CO 0.07 -0.46 1.15 1.05 0.23 0.00 0.00 176.35 178.39 2khq h GLU 104 N 8.03 0.00 -3.20 1.70 4.11 -2.02 -3.40 114.58 119.80 2khq h GLU 104 Ca -0.15 0.00 -0.68 0.00 0.07 0.00 0.00 59.36 58.60 2khq h GLU 104 Cb 1.05 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.32 2khq h GLU 104 CO 0.65 0.27 3.71 1.58 0.07 0.00 0.00 179.01 185.29 2khq n HIS 105 N -2.98 2.64 0.00 2.06 -0.00 -1.26 -4.64 115.22 111.04 2khq n HIS 105 Ca -0.03 -3.07 0.00 0.00 0.46 0.00 0.00 57.72 55.08 2khq n HIS 105 Cb 0.72 -2.51 0.00 0.00 -0.12 0.00 0.00 29.99 28.08 2khq n HIS 105 CO 0.00 0.00 0.00 -2.39 0.46 0.00 0.00 176.34 174.41 2khq n HIS 106 N 4.06 0.00 -2.08 1.57 1.44 -1.26 -5.13 115.22 113.81 2khq n HIS 106 Ca 0.73 0.00 -0.42 0.00 -2.01 0.00 0.00 57.72 56.03 2khq n HIS 106 Cb 0.26 0.00 -0.03 0.00 0.12 0.00 0.00 29.99 30.34 2khq n HIS 106 CO 0.00 0.00 0.00 -1.01 -2.81 0.00 0.00 176.34 172.52 2khq s HIS 107 N -1.18 3.14 0.34 -1.40 3.76 -1.26 -5.00 115.29 113.70 2khq s HIS 107 Ca 0.00 0.97 -0.10 0.00 -0.15 0.00 0.00 55.06 55.78 2khq s HIS 107 Cb 0.00 -3.76 -0.07 0.00 1.11 0.00 0.00 32.58 29.87 2khq s HIS 107 CO 0.00 -2.57 0.69 -1.01 -0.85 0.00 0.00 174.74 171.00 2khq s HIS 108 N 0.56 3.45 0.51 1.40 3.76 -1.26 -5.09 115.29 118.62 2khq s HIS 108 Ca 0.62 0.95 0.06 0.00 -0.15 0.00 0.00 55.06 56.54 2khq s HIS 108 Cb -0.40 -2.35 0.04 0.00 1.11 0.00 0.00 32.58 30.98 2khq s HIS 108 CO 0.36 0.03 0.70 -3.38 -0.85 0.00 0.00 174.74 171.61 2khq s HIS 109 N -2.18 2.46 -2.08 1.40 -3.43 -1.26 -5.30 115.29 104.89 2khq s HIS 109 Ca 0.49 -0.35 0.31 0.00 -0.80 0.00 0.00 55.06 54.72 2khq s HIS 109 Cb -0.10 -2.50 1.77 0.00 -1.43 0.00 0.00 32.58 30.32 2khq s HIS 109 CO 0.28 -0.79 2.15 1.58 -2.00 0.00 0.00 174.74 175.96