#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 3.44 0.06 2.02 2.07 -1.26 -5.01 121.20 122.52 2khq s ILE 2 Ca 0.00 -1.64 -0.31 0.00 -1.41 0.00 0.00 60.65 57.30 2khq s ILE 2 Cb 0.00 -2.75 -0.06 0.00 0.13 0.00 0.00 42.46 39.79 2khq s ILE 2 CO 0.00 -0.17 1.24 0.42 -1.91 0.00 0.00 174.94 174.51 2khq s THR 3 N -1.86 3.92 0.20 4.00 -4.23 -1.26 -0.90 115.64 115.50 2khq s THR 3 Ca 0.27 1.37 -0.11 0.00 -1.18 0.00 0.00 61.69 62.04 2khq s THR 3 Cb -0.08 -3.88 0.13 0.00 1.34 0.00 0.00 72.50 70.01 2khq s THR 3 CO 0.17 0.09 1.85 0.15 -0.54 0.00 0.00 174.62 176.35 2khq h PHE 4 N 6.90 0.82 -0.13 3.99 3.57 -0.95 -0.90 116.94 130.25 2khq h PHE 4 Ca -0.41 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.14 2khq h PHE 4 Cb 1.21 -0.27 -0.03 0.00 2.79 0.00 0.00 35.95 39.65 2khq h PHE 4 CO 0.68 0.49 -0.04 0.00 -2.23 0.00 0.00 178.31 177.20 2khq h ALA 5 N 1.28 0.07 -0.36 2.41 0.00 -1.86 0.15 119.26 120.95 2khq h ALA 5 Ca 0.27 0.05 -0.12 0.00 0.00 0.00 0.00 54.91 55.11 2khq h ALA 5 Cb -0.03 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2khq h ALA 5 CO -0.09 -0.49 -0.26 -0.44 0.00 0.00 0.00 179.25 177.96 2khq h ASP 6 N -0.02 0.75 -0.59 0.00 5.19 -1.86 -2.48 116.42 117.41 2khq h ASP 6 Ca 0.07 -0.28 -0.01 0.00 -0.62 0.00 0.00 57.03 56.19 2khq h ASP 6 Cb 0.12 -0.21 -0.03 0.00 0.18 0.00 0.00 39.33 39.40 2khq h ASP 6 CO -0.15 0.98 0.33 0.22 -3.12 0.00 0.00 179.24 177.50 2khq h TYR 7 N 0.63 0.80 -0.76 4.55 3.20 -0.78 -1.86 116.97 122.76 2khq h TYR 7 Ca 0.08 -0.01 0.08 0.00 3.14 0.00 0.00 58.73 62.01 2khq h TYR 7 Cb 0.77 -0.26 -0.06 0.00 1.54 0.00 0.00 36.73 38.72 2khq h TYR 7 CO 0.04 0.57 0.43 0.35 -1.64 0.00 0.00 178.16 177.91 2khq h PHE 8 N 0.80 0.78 -0.14 -3.82 3.57 -0.29 0.33 116.94 118.17 2khq h PHE 8 Ca 0.21 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.69 2khq h PHE 8 Cb 0.03 -0.24 -0.00 0.00 2.79 0.00 0.00 35.95 38.52 2khq h PHE 8 CO -0.01 0.35 -0.07 -0.92 -2.23 0.00 0.00 178.31 175.42 2khq h TYR 9 N 0.76 0.35 -0.19 0.41 3.20 -1.19 -2.37 116.97 117.93 2khq h TYR 9 Ca 0.35 -0.09 -0.09 0.00 3.14 0.00 0.00 58.73 62.04 2khq h TYR 9 Cb 0.26 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.44 2khq h TYR 9 CO -0.07 0.64 -0.29 -0.56 -1.64 0.00 0.00 178.16 176.24 2khq h GLN 10 N -0.04 0.38 -0.48 1.82 3.07 -0.96 0.14 115.11 119.04 2khq h GLN 10 Ca 0.03 -0.15 0.03 0.00 0.09 0.00 0.00 58.65 58.65 2khq h GLN 10 Cb 0.55 -0.02 -0.03 0.00 0.08 0.00 0.00 27.48 28.05 2khq h GLN 10 CO 0.02 0.64 0.27 2.35 0.09 0.00 0.00 178.83 182.20 2khq h TRP 11 N 0.33 0.51 -0.01 0.06 7.01 -0.27 -0.29 115.95 123.29 2khq h TRP 11 Ca 0.05 0.02 -0.00 0.00 2.11 0.00 0.00 58.89 61.06 2khq h TRP 11 Cb 0.68 -0.16 -0.00 0.00 -2.10 0.00 0.00 29.16 27.58 2khq h TRP 11 CO 0.02 0.28 -0.01 -0.92 -2.79 0.00 0.00 178.44 175.02 2khq h TYR 12 N 0.55 0.04 -0.96 2.65 3.20 -0.99 -2.33 116.97 119.13 2khq h TYR 12 Ca 0.20 -0.01 0.08 0.00 3.14 0.00 0.00 58.73 62.14 2khq h TYR 12 Cb 0.05 -0.01 -0.07 0.00 1.54 0.00 0.00 36.73 38.24 2khq h TYR 12 CO -0.08 0.50 0.60 1.49 -1.64 0.00 0.00 178.16 179.04 2khq h GLU 13 N -0.44 1.02 0.00 1.82 4.22 -0.53 -0.92 114.58 119.75 2khq h GLU 13 Ca 0.00 -0.06 -0.16 0.00 0.08 0.00 0.00 59.36 59.23 2khq h GLU 13 Cb 0.50 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 2khq h GLU 13 CO 0.00 0.68 -0.90 0.28 -2.18 0.00 0.00 179.01 176.89 2khq h VAL 14 N 1.05 0.97 0.00 0.32 2.07 -1.12 -3.40 116.25 116.14 2khq h VAL 14 Ca 0.43 -2.47 0.00 0.00 0.82 0.00 0.00 66.70 65.48 2khq h VAL 14 Cb 0.27 2.43 0.00 0.00 -1.52 0.00 0.00 31.29 32.47 2khq h VAL 14 CO -0.20 0.55 0.00 0.59 0.02 0.00 0.00 177.57 178.53 2khq n ASN 15 N -3.16 0.00 0.00 0.57 3.02 -0.72 -4.80 115.26 110.17 2khq n ASN 15 Ca -0.02 0.00 0.14 0.00 -0.03 0.00 0.00 54.58 54.66 2khq n ASN 15 Cb 0.83 -0.23 0.53 0.00 -0.61 0.00 0.00 39.78 40.30 2khq n ASN 15 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2khq n LYS 16 N -2.23 0.01 -0.01 3.52 4.76 -0.43 -4.23 118.16 119.55 2khq n LYS 16 Ca 0.00 0.01 -0.12 0.00 -2.87 0.00 0.00 58.31 55.33 2khq n LYS 16 Cb 0.00 -1.51 -0.06 0.00 -1.84 0.00 0.00 35.03 31.62 2khq n LYS 16 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 2khq h LEU 17 N 0.00 -1.33 0.00 -0.35 5.85 -1.63 -1.95 115.31 115.90 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 0.51 0.54 0.00 0.00 0.37 0.00 0.00 40.66 42.08 2khq h LEU 17 CO 0.00 -0.42 0.00 -0.81 -0.34 0.00 0.00 178.44 176.87 2khq n PRO 18 N -5.43 0.85 0.00 5.25 -0.04 -1.26 -2.93 135.00 131.43 2khq n PRO 18 Ca -0.04 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.46 2khq n PRO 18 Cb 0.36 -1.33 -0.03 0.00 -0.04 0.00 0.00 33.50 32.46 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 -0.83 0.00 -4.39 0.54 8.25 -0.76 -5.03 115.22 113.00 2khq n HIS 19 Ca 0.14 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.34 2khq n HIS 19 Cb 0.06 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.08 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 -1.51 2.47 0.61 1.59 -7.23 -1.05 -5.14 120.40 110.14 2khq s VAL 20 Ca 0.03 -2.00 -0.03 0.00 -1.81 0.00 0.00 61.98 58.17 2khq s VAL 20 Cb 0.05 -2.80 0.04 0.00 0.56 0.00 0.00 36.38 34.23 2khq s VAL 20 CO 0.25 -0.17 0.88 -0.44 -0.31 0.00 0.00 175.10 175.32 2khq s SER 21 N -3.71 5.20 0.47 4.85 0.01 -1.26 -4.93 113.70 114.32 2khq s SER 21 Ca 0.35 0.32 0.26 0.00 1.31 0.00 0.00 55.95 58.18 2khq s SER 21 Cb 0.02 -1.16 1.05 0.00 0.21 0.00 0.00 66.02 66.14 2khq s SER 21 CO 0.19 -1.27 1.88 -0.33 0.41 0.00 0.00 173.24 174.12 2khq h GLU 22 N -0.20 0.00 -0.58 12.44 5.08 -1.99 -0.31 114.58 129.02 2khq h GLU 22 Ca -0.44 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 57.85 2khq h GLU 22 Cb 1.29 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.52 2khq h GLU 22 CO 0.57 0.18 0.07 0.66 -1.00 0.00 0.00 179.01 179.49 2khq h SER 23 N 0.00 0.90 0.26 1.42 4.64 -2.01 -2.46 113.55 116.30 2khq h SER 23 Ca -0.00 -0.21 -0.12 0.00 -0.47 0.00 0.00 61.79 60.99 2khq h SER 23 Cb 0.66 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 62.50 2khq h SER 23 CO 0.02 0.93 -0.45 0.74 -0.87 0.00 0.00 176.83 177.20 2khq h THR 24 N 0.89 1.33 -0.57 2.95 2.02 -1.50 -2.78 112.91 115.25 2khq h THR 24 Ca 0.18 -1.62 0.08 0.00 0.77 0.00 0.00 66.41 65.82 2khq h THR 24 Cb 0.43 1.75 -0.07 0.00 -1.74 0.00 0.00 68.15 68.52 2khq h THR 24 CO 0.01 0.48 0.20 0.11 0.37 0.00 0.00 175.52 176.70 2khq h LYS 25 N 0.20 0.37 -0.76 6.66 1.57 -0.68 -1.65 116.57 122.28 2khq h LYS 25 Ca 0.01 -0.02 0.07 0.00 -1.87 0.00 0.00 60.65 58.85 2khq h LYS 25 Cb 0.88 -0.08 -0.06 0.00 0.08 0.00 0.00 32.23 33.04 2khq h LYS 25 CO 0.07 0.24 0.43 0.00 -0.57 0.00 0.00 179.45 179.63 2khq h ARG 26 N 0.38 0.75 -0.34 3.15 3.08 -1.18 0.89 114.38 121.11 2khq h ARG 26 Ca 0.28 -0.04 0.04 0.00 0.07 0.00 0.00 59.98 60.33 2khq h ARG 26 Cb 0.34 -0.17 -0.04 0.00 0.08 0.00 0.00 29.97 30.18 2khq h ARG 26 CO -0.29 0.49 0.10 0.45 -1.07 0.00 0.00 179.97 179.65 2khq h HIS 27 N 0.77 0.17 -0.44 3.04 3.86 -1.23 0.25 115.15 121.56 2khq h HIS 27 Ca 0.35 0.02 -0.14 0.00 -1.16 0.00 0.00 60.37 59.44 2khq h HIS 27 Cb 0.25 -0.03 -0.01 0.00 1.06 0.00 0.00 27.41 28.69 2khq h HIS 27 CO -0.07 0.06 -0.27 1.88 0.86 0.00 0.00 177.93 180.40 2khq h TYR 28 N 0.23 1.13 -0.53 2.45 -1.99 -0.94 -1.30 116.97 116.03 2khq h TYR 28 Ca 0.15 -0.30 -0.07 0.00 2.00 0.00 0.00 58.73 60.52 2khq h TYR 28 Cb 0.14 -0.25 -0.02 0.00 2.00 0.00 0.00 36.73 38.60 2khq h TYR 28 CO -0.16 1.12 0.07 0.93 -0.00 0.00 0.00 178.16 180.13 2khq h GLU 29 N 0.81 0.89 -0.40 4.88 5.08 -0.45 0.32 114.58 125.70 2khq h GLU 29 Ca 0.09 -0.25 -0.01 0.00 -1.00 0.00 0.00 59.36 58.20 2khq h GLU 29 Cb 0.85 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.99 2khq h GLU 29 CO 0.08 0.88 0.21 0.77 -1.00 0.00 0.00 179.01 179.95 2khq h SER 30 N 0.77 0.51 0.12 1.42 0.02 -0.44 0.49 113.55 116.44 2khq h SER 30 Ca 0.16 -0.10 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 2khq h SER 30 Cb 0.43 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.83 2khq h SER 30 CO 0.01 0.46 -0.10 0.00 -1.14 0.00 0.00 176.83 176.07 2khq h ALA 31 N 1.07 -0.20 -0.23 3.77 0.00 -0.97 -1.72 119.26 120.98 2khq h ALA 31 Ca 0.14 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.07 2khq h ALA 31 Cb 0.07 0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.95 2khq h ALA 31 CO -0.02 -0.63 -0.09 -0.92 0.00 0.00 0.00 179.25 177.59 2khq h TYR 32 N -0.23 -0.20 -0.10 0.00 3.20 -0.14 0.71 116.97 120.21 2khq h TYR 32 Ca -0.00 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.81 2khq h TYR 32 Cb 0.21 0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.60 2khq h TYR 32 CO -0.11 -0.14 -0.30 1.57 -1.64 0.00 0.00 178.16 177.54 2khq h LYS 33 N -0.05 0.19 -0.16 1.82 2.10 -0.81 -1.02 116.57 118.63 2khq h LYS 33 Ca 0.12 -0.07 -0.21 0.00 -2.00 0.00 0.00 60.65 58.49 2khq h LYS 33 Cb 0.23 -0.01 0.01 0.00 -0.90 0.00 0.00 32.23 31.55 2khq h LYS 33 CO -0.27 0.48 -0.73 0.45 -2.00 0.00 0.00 179.45 177.39 2khq h HIS 34 N 0.17 0.97 0.11 0.07 3.86 -0.77 -1.58 115.15 117.99 2khq h HIS 34 Ca 0.02 -0.41 -0.01 0.00 -1.16 0.00 0.00 60.37 58.82 2khq h HIS 34 Cb 0.63 -0.16 0.00 0.00 1.06 0.00 0.00 27.41 28.94 2khq h HIS 34 CO 0.01 1.23 -0.06 0.82 0.86 0.00 0.00 177.93 180.79 2khq h ILE 35 N 0.51 0.97 0.00 2.45 2.04 -0.41 -2.09 117.51 120.98 2khq h ILE 35 Ca -0.04 -0.30 -0.06 0.00 1.00 0.00 0.00 64.86 65.46 2khq h ILE 35 Cb 1.34 1.16 -0.01 0.00 -0.74 0.00 0.00 36.82 38.57 2khq h ILE 35 CO 0.15 0.07 -0.29 0.07 0.00 0.00 0.00 178.15 178.15 2khq h LYS 36 N -0.29 0.00 -0.31 2.37 2.10 -1.27 0.63 116.57 119.80 2khq h LYS 36 Ca -0.02 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.61 2khq h LYS 36 Cb 0.24 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.55 2khq h LYS 36 CO 0.03 0.29 0.11 0.22 -2.00 0.00 0.00 179.45 178.09 2khq h ASP 37 N 0.00 0.45 0.00 7.07 3.58 -1.03 -3.15 116.42 123.34 2khq h ASP 37 Ca -0.00 -0.19 -0.15 0.00 0.42 0.00 0.00 57.03 57.11 2khq h ASP 37 Cb 0.64 -0.12 -0.02 0.00 1.72 0.00 0.00 39.33 41.55 2khq h ASP 37 CO 0.04 0.52 -0.81 0.45 -2.88 0.00 0.00 179.24 176.56 2khq h HIS 38 N 0.35 0.00 -1.09 0.28 3.86 -1.10 -3.39 115.15 114.06 2khq h HIS 38 Ca 0.10 0.00 -0.74 0.00 -1.16 0.00 0.00 60.37 58.57 2khq h HIS 38 Cb 0.23 0.00 -0.12 0.00 1.06 0.00 0.00 27.41 28.58 2khq h HIS 38 CO 0.00 1.26 2.50 1.19 0.86 0.00 0.00 177.93 183.75 2khq n PHE 39 N -4.50 2.59 -1.55 2.45 3.72 0.22 -4.95 117.46 115.43 2khq n PHE 39 Ca -0.24 -2.84 -0.47 0.00 -0.05 0.00 0.00 57.45 53.86 2khq n PHE 39 Cb 0.59 -1.87 -0.05 0.00 -0.94 0.00 0.00 39.48 37.21 2khq n PHE 39 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 2khq n ARG 40 N 1.82 1.66 -2.19 -1.08 5.12 -1.19 -1.68 116.66 119.12 2khq n ARG 40 Ca 0.64 0.48 -0.19 0.00 -1.93 0.00 0.00 57.85 56.84 2khq n ARG 40 Cb 0.24 -2.86 -0.03 0.00 -1.16 0.00 0.00 32.46 28.66 2khq n ARG 40 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 2khq n HIS 41 N 10.30 -0.83 -2.66 -1.55 8.25 -1.26 -4.93 115.22 122.54 2khq n HIS 41 Ca 0.33 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.38 2khq n HIS 41 Cb 0.34 -3.62 -0.04 0.00 1.12 0.00 0.00 29.99 27.80 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 -4.68 4.61 0.67 -0.41 2.47 -0.67 -4.91 119.74 116.81 2khq s LYS 42 Ca 0.00 1.51 -0.15 0.00 -1.56 0.00 0.00 55.97 55.77 2khq s LYS 42 Cb 0.00 -3.39 0.01 0.00 -1.46 0.00 0.00 37.83 32.99 2khq s LYS 42 CO 0.00 0.06 1.11 -0.51 0.16 0.00 0.00 175.35 176.17 2khq s LEU 43 N 0.40 3.35 0.22 5.43 1.43 -1.26 -0.44 118.68 127.81 2khq s LEU 43 Ca 0.50 2.00 -0.08 0.00 -1.03 0.00 0.00 54.13 55.52 2khq s LEU 43 Cb -0.24 -4.55 0.19 0.00 0.03 0.00 0.00 46.19 41.62 2khq s LEU 43 CO 0.30 -1.70 1.87 0.25 0.23 0.00 0.00 176.35 177.29 2khq h LEU 44 N -0.10 1.04 -0.90 1.79 6.46 -1.31 -1.82 115.31 120.48 2khq h LEU 44 Ca -0.46 -0.07 0.00 0.00 -0.12 0.00 0.00 57.88 57.22 2khq h LEU 44 Cb 1.25 -0.26 0.00 0.00 -0.73 0.00 0.00 40.66 40.91 2khq h LEU 44 CO 0.54 0.81 -0.07 2.29 -0.62 0.00 0.00 178.44 181.39 2khq n LYS 45 N -4.41 1.49 0.00 1.25 -0.00 -1.26 -3.71 118.16 111.52 2khq n LYS 45 Ca 0.09 -0.90 0.12 0.00 -0.00 0.00 0.00 58.31 57.62 2khq n LYS 45 Cb 0.07 -1.48 0.20 0.00 -0.00 0.00 0.00 35.03 33.81 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 0.03 1.05 -4.70 -5.58 2.03 -0.69 -4.84 116.55 103.85 2khq n ASP 46 Ca 0.17 -0.84 -0.42 0.00 0.52 0.00 0.00 54.79 54.22 2khq n ASP 46 Cb 0.37 0.36 -0.03 0.00 -0.72 0.00 0.00 41.12 41.10 2khq n ASP 46 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2khq s ILE 47 N -2.71 3.23 0.15 5.18 -1.09 -1.19 -4.91 121.20 119.85 2khq s ILE 47 Ca 0.17 0.80 0.08 0.00 -2.23 0.00 0.00 60.65 59.47 2khq s ILE 47 Cb 0.18 -3.51 -0.04 0.00 -1.58 0.00 0.00 42.46 37.51 2khq s ILE 47 CO 0.63 0.03 -0.08 -0.54 -1.23 0.00 0.00 174.94 173.75 2khq s LYS 48 N 1.76 2.14 0.23 2.79 1.02 -1.26 -4.55 119.74 121.86 2khq s LYS 48 Ca 0.67 -1.14 -0.04 0.00 0.02 0.00 0.00 55.97 55.48 2khq s LYS 48 Cb -0.37 -2.25 0.23 0.00 -0.52 0.00 0.00 37.83 34.92 2khq s LYS 48 CO 0.30 0.47 1.70 0.07 -0.92 0.00 0.00 175.35 176.97 2khq h ARG 49 N 3.19 0.86 0.00 1.68 0.11 -1.92 0.30 114.38 118.59 2khq h ARG 49 Ca -0.48 -0.27 -0.11 0.00 0.10 0.00 0.00 59.98 59.23 2khq h ARG 49 Cb 1.19 -0.08 -0.02 0.00 1.11 0.00 0.00 29.97 32.17 2khq h ARG 49 CO 0.54 0.89 -0.51 1.79 0.10 0.00 0.00 179.97 182.78 2khq h THR 50 N 0.79 1.34 0.06 0.08 1.35 -1.88 -1.83 112.91 112.81 2khq h THR 50 Ca 0.14 -1.76 -0.27 0.00 -0.55 0.00 0.00 66.41 63.97 2khq h THR 50 Cb 0.55 1.96 0.02 0.00 -1.73 0.00 0.00 68.15 68.95 2khq h THR 50 CO 0.03 0.50 -1.11 -0.08 -0.25 0.00 0.00 175.52 174.61 2khq h GLU 51 N 0.00 0.57 -0.46 4.72 4.57 -1.74 -3.15 114.58 119.08 2khq h GLU 51 Ca -0.01 -0.68 -0.13 0.00 -1.18 0.00 0.00 59.36 57.36 2khq h GLU 51 Cb 0.92 0.21 -0.01 0.00 -0.16 0.00 0.00 28.75 29.71 2khq h GLU 51 CO 0.07 1.28 -0.23 -0.92 -1.18 0.00 0.00 179.01 178.03 2khq h TYR 52 N 0.28 1.10 -0.93 0.92 3.20 -0.31 -2.76 116.97 118.47 2khq h TYR 52 Ca -0.14 -0.27 0.03 0.00 3.14 0.00 0.00 58.73 61.49 2khq h TYR 52 Cb 1.77 -0.25 -0.05 0.00 1.54 0.00 0.00 36.73 39.73 2khq h TYR 52 CO 0.09 1.08 0.61 0.37 -1.64 0.00 0.00 178.16 178.67 2khq h GLN 53 N 0.82 1.15 -0.86 1.82 5.75 -1.41 -1.33 115.11 121.05 2khq h GLN 53 Ca 0.10 -0.07 0.09 0.00 -0.15 0.00 0.00 58.65 58.63 2khq h GLN 53 Cb 0.80 -0.26 -0.07 0.00 1.07 0.00 0.00 27.48 29.02 2khq h GLN 53 CO 0.07 0.76 0.51 0.87 -2.65 0.00 0.00 178.83 178.39 2khq h LYS 54 N 1.19 0.84 -0.46 1.69 1.57 -1.45 0.16 116.57 120.11 2khq h LYS 54 Ca 0.37 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 59.07 2khq h LYS 54 Cb -0.02 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.08 2khq h LYS 54 CO -0.11 0.55 0.17 0.35 -0.57 0.00 0.00 179.45 179.84 2khq h PHE 55 N 0.86 0.71 -0.65 -1.35 3.57 -1.08 -2.37 116.94 116.63 2khq h PHE 55 Ca 0.41 -0.06 -0.04 0.00 3.53 0.00 0.00 57.97 61.81 2khq h PHE 55 Cb 0.34 -0.21 -0.03 0.00 2.79 0.00 0.00 35.95 38.84 2khq h PHE 55 CO -0.05 0.61 0.24 -0.07 -2.23 0.00 0.00 178.31 176.82 2khq h LEU 56 N 0.60 0.92 -0.04 0.59 3.38 -0.38 -0.12 115.31 120.27 2khq h LEU 56 Ca 0.15 -0.19 0.03 0.00 0.09 0.00 0.00 57.88 57.97 2khq h LEU 56 Cb 0.21 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.68 2khq h LEU 56 CO -0.01 0.86 -0.19 0.78 0.09 0.00 0.00 178.44 179.96 2khq h ASN 57 N 0.93 -0.57 -0.13 -0.43 2.35 -0.49 0.46 115.58 117.69 2khq h ASN 57 Ca 0.21 0.09 -0.18 0.00 -0.55 0.00 0.00 56.30 55.88 2khq h ASN 57 Cb 0.24 0.25 -0.00 0.00 0.05 0.00 0.00 38.32 38.86 2khq h ASN 57 CO -0.01 -0.25 -0.56 -0.33 -1.65 0.00 0.00 177.43 174.63 2khq h GLU 58 N -0.29 0.73 -0.61 0.81 4.39 -1.30 -3.03 114.58 115.28 2khq h GLU 58 Ca 0.07 -0.46 -0.07 0.00 0.34 0.00 0.00 59.36 59.23 2khq h GLU 58 Cb 0.39 0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 29.07 2khq h GLU 58 CO -0.21 1.09 0.10 -0.92 -1.16 0.00 0.00 179.01 177.91 2khq h TYR 59 N 0.56 1.05 0.00 4.33 3.20 -0.84 -2.15 116.97 123.12 2khq h TYR 59 Ca 0.01 -0.14 0.00 0.00 3.14 0.00 0.00 58.73 61.74 2khq h TYR 59 Cb 1.14 -0.29 0.00 0.00 1.54 0.00 0.00 36.73 39.11 2khq h TYR 59 CO 0.06 0.89 0.00 0.41 -1.64 0.00 0.00 178.16 177.89 2khq n GLY 60 N -0.65 -0.87 0.02 1.82 0.00 0.14 -2.35 105.19 103.29 2khq n GLY 60 Ca 0.04 -0.11 0.12 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.80 0.57 0.00 0.99 4.77 -0.81 -0.94 117.00 120.77 2khq n LEU 61 Ca 0.13 0.03 0.00 0.00 -0.03 0.00 0.00 56.01 56.13 2khq n LEU 61 Cb 0.06 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 40.94 2khq n LEU 61 CO 0.10 0.08 0.18 0.35 -1.33 0.00 0.00 177.39 176.77 2khq n THR 62 N -1.68 0.13 -4.21 -5.08 -2.24 -0.99 -4.72 114.28 95.49 2khq n THR 62 Ca 0.05 -0.29 -0.12 0.00 -2.27 0.00 0.00 64.05 61.42 2khq n THR 62 Cb 0.37 1.33 -0.10 0.00 -2.10 0.00 0.00 70.33 69.83 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 -0.13 1.11 0.66 4.78 3.76 -1.06 -5.14 115.29 119.28 2khq s HIS 63 Ca 0.00 -1.21 -0.06 0.00 -0.15 0.00 0.00 55.06 53.64 2khq s HIS 63 Cb 0.00 -0.61 0.05 0.00 1.11 0.00 0.00 32.58 33.12 2khq s HIS 63 CO 0.00 -0.45 0.96 0.45 -0.85 0.00 0.00 174.74 174.85 2khq s SER 64 N -3.14 5.05 0.14 1.40 0.15 -1.26 -4.75 113.70 111.30 2khq s SER 64 Ca 0.30 0.47 -0.15 0.00 0.70 0.00 0.00 55.95 57.27 2khq s SER 64 Cb 0.07 -1.23 0.02 0.00 -1.71 0.00 0.00 66.02 63.17 2khq s SER 64 CO 0.06 -1.42 1.68 0.22 1.20 0.00 0.00 173.24 174.99 2khq h TYR 65 N -0.42 0.71 -0.40 3.44 3.20 -1.95 -2.04 116.97 119.51 2khq h TYR 65 Ca -0.44 -0.06 -0.04 0.00 3.14 0.00 0.00 58.73 61.33 2khq h TYR 65 Cb 1.30 -0.21 -0.02 0.00 1.54 0.00 0.00 36.73 39.34 2khq h TYR 65 CO 0.37 0.62 0.08 1.49 -1.64 0.00 0.00 178.16 179.08 2khq h GLU 66 N 0.59 0.60 -0.31 1.82 4.81 -1.99 -0.96 114.58 119.15 2khq h GLU 66 Ca 0.15 -0.11 -0.01 0.00 -0.13 0.00 0.00 59.36 59.26 2khq h GLU 66 Cb 0.22 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 2khq h GLU 66 CO -0.01 0.56 0.14 1.15 -0.73 0.00 0.00 179.01 180.12 2khq h THR 67 N 0.58 1.17 -0.12 0.32 2.02 -1.81 -1.36 112.91 113.71 2khq h THR 67 Ca 0.13 -0.49 -0.13 0.00 0.77 0.00 0.00 66.41 66.70 2khq h THR 67 Cb 0.24 0.91 -0.01 0.00 -1.74 0.00 0.00 68.15 67.56 2khq h THR 67 CO -0.00 0.17 -0.48 -0.29 0.37 0.00 0.00 175.52 175.29 2khq h ILE 68 N 0.36 1.33 0.09 3.11 2.10 -1.02 0.41 117.51 123.89 2khq h ILE 68 Ca 0.11 -1.70 -0.00 0.00 1.08 0.00 0.00 64.86 64.34 2khq h ILE 68 Cb 0.14 1.77 -0.00 0.00 -1.09 0.00 0.00 36.82 37.64 2khq h ILE 68 CO -0.01 0.51 -0.06 0.03 -1.08 0.00 0.00 178.15 177.54 2khq h ARG 69 N 0.26 -0.14 -0.15 2.19 3.08 -0.91 -0.90 114.38 117.80 2khq h ARG 69 Ca 0.01 0.01 -0.13 0.00 0.07 0.00 0.00 59.98 59.95 2khq h ARG 69 Cb 0.95 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 31.02 2khq h ARG 69 CO 0.08 -0.09 -0.45 0.87 -1.07 0.00 0.00 179.97 179.30 2khq h LYS 70 N -0.15 0.37 0.03 0.04 1.57 -1.10 0.25 116.57 117.57 2khq h LYS 70 Ca -0.01 -0.20 0.03 0.00 -1.87 0.00 0.00 60.65 58.61 2khq h LYS 70 Cb 0.13 0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.39 2khq h LYS 70 CO 0.00 0.75 -0.34 1.25 -0.57 0.00 0.00 179.45 180.55 2khq h LEU 71 N 0.30 -1.02 -1.06 2.94 5.85 -0.75 0.76 115.31 122.33 2khq h LEU 71 Ca 0.02 0.13 0.01 0.00 0.84 0.00 0.00 57.88 58.87 2khq h LEU 71 Cb 0.92 0.40 -0.05 0.00 0.37 0.00 0.00 40.66 42.30 2khq h LEU 71 CO 0.08 -0.41 0.60 -1.13 -0.34 0.00 0.00 178.44 177.24 2khq h ASN 72 N -0.51 1.08 -0.54 1.25 -0.73 -0.81 -2.02 115.58 113.29 2khq h ASN 72 Ca 0.05 -0.04 0.02 0.00 1.87 0.00 0.00 56.30 58.21 2khq h ASN 72 Cb 0.58 -0.27 -0.04 0.00 0.27 0.00 0.00 38.32 38.87 2khq h ASN 72 CO -0.26 0.79 0.33 0.28 -0.37 0.00 0.00 177.43 178.20 2khq h SER 73 N 1.26 0.54 -0.20 1.15 0.02 0.21 0.34 113.55 116.88 2khq h SER 73 Ca 0.34 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.26 2khq h SER 73 Cb -0.13 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.29 2khq h SER 73 CO -0.07 0.38 0.01 1.88 -1.14 0.00 0.00 176.83 177.89 2khq h TYR 74 N 0.65 0.37 -0.45 3.45 0.05 -0.53 -1.04 116.97 119.47 2khq h TYR 74 Ca 0.22 -0.06 -0.00 0.00 0.05 0.00 0.00 58.73 58.94 2khq h TYR 74 Cb 0.01 -0.10 -0.02 0.00 1.01 0.00 0.00 36.73 37.64 2khq h TYR 74 CO -0.06 0.52 0.27 0.82 -1.05 0.00 0.00 178.16 178.66 2khq h ILE 75 N 0.11 1.14 -0.54 -2.88 2.04 -1.08 -0.80 117.51 115.52 2khq h ILE 75 Ca 0.06 -0.33 -0.07 0.00 1.00 0.00 0.00 64.86 65.52 2khq h ILE 75 Cb 0.36 0.55 -0.02 0.00 -0.74 0.00 0.00 36.82 36.97 2khq h ILE 75 CO 0.01 0.14 0.04 0.03 0.00 0.00 0.00 178.15 178.37 2khq h ARG 76 N 0.59 0.88 -0.59 2.37 3.08 -0.27 -1.67 114.38 118.78 2khq h ARG 76 Ca 0.16 -0.23 -0.08 0.00 0.07 0.00 0.00 59.98 59.90 2khq h ARG 76 Cb -0.00 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 29.92 2khq h ARG 76 CO -0.03 0.85 0.04 -0.97 -1.07 0.00 0.00 179.97 178.80 2khq h ASN 77 N 0.83 0.96 -0.18 7.04 -0.73 -0.77 0.29 115.58 123.01 2khq h ASN 77 Ca 0.16 -0.24 -0.00 0.00 1.87 0.00 0.00 56.30 58.09 2khq h ASN 77 Cb 0.44 -0.26 -0.01 0.00 0.27 0.00 0.00 38.32 38.76 2khq h ASN 77 CO 0.02 0.99 0.10 0.00 -0.37 0.00 0.00 177.43 178.17 2khq h ALA 78 N 1.11 0.23 -0.17 1.57 0.00 -0.77 0.23 119.26 121.45 2khq h ALA 78 Ca 0.18 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 2khq h ALA 78 Cb 0.48 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 2khq h ALA 78 CO 0.02 -0.26 0.05 0.74 0.00 0.00 0.00 179.25 179.81 2khq h PHE 79 N 0.20 0.28 -0.77 0.00 0.04 -1.07 -1.78 116.94 113.84 2khq h PHE 79 Ca 0.06 -0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.78 2khq h PHE 79 Cb 0.04 -0.08 -0.04 0.00 2.20 0.00 0.00 35.95 38.07 2khq h PHE 79 CO -0.05 0.37 0.38 0.22 -0.60 0.00 0.00 178.31 178.64 2khq h ASP 80 N 0.10 0.98 -0.30 2.17 3.58 -0.28 0.24 116.42 122.92 2khq h ASP 80 Ca 0.06 -0.10 -0.04 0.00 0.42 0.00 0.00 57.03 57.37 2khq h ASP 80 Cb 0.22 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 41.01 2khq h ASP 80 CO -0.00 0.82 0.04 -0.78 -2.88 0.00 0.00 179.24 176.43 2khq h ASP 81 N 1.08 0.49 -0.16 2.28 1.82 -0.48 0.31 116.42 121.77 2khq h ASP 81 Ca 0.27 -0.27 0.01 0.00 -0.39 0.00 0.00 57.03 56.64 2khq h ASP 81 Cb 0.08 -0.13 -0.01 0.00 0.68 0.00 0.00 39.33 39.95 2khq h ASP 81 CO -0.04 0.64 0.08 0.00 -1.61 0.00 0.00 179.24 178.31 2khq h ALA 82 N 0.87 0.19 -0.87 -0.78 0.00 -0.82 -2.12 119.26 115.73 2khq h ALA 82 Ca 0.09 0.00 0.06 0.00 0.00 0.00 0.00 54.91 55.06 2khq h ALA 82 Cb 0.37 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.07 2khq h ALA 82 CO 0.01 -0.35 0.57 0.82 0.00 0.00 0.00 179.25 180.30 2khq h ILE 83 N 0.18 1.08 -0.96 0.00 2.04 -0.36 0.62 117.51 120.10 2khq h ILE 83 Ca 0.06 -0.34 0.05 0.00 1.00 0.00 0.00 64.86 65.63 2khq h ILE 83 Cb 0.01 -0.01 -0.06 0.00 -0.74 0.00 0.00 36.82 36.02 2khq h ILE 83 CO -0.04 0.18 0.63 -0.74 0.00 0.00 0.00 178.15 178.18 2khq h HIS 84 N 1.00 1.15 0.06 1.37 2.76 0.32 -2.51 115.15 119.30 2khq h HIS 84 Ca 0.37 0.03 -0.35 0.00 -2.20 0.00 0.00 60.37 58.21 2khq h HIS 84 Cb 0.17 -0.38 -0.04 0.00 1.55 0.00 0.00 27.41 28.71 2khq h HIS 84 CO -0.00 0.64 -2.03 0.39 -1.30 0.00 0.00 177.93 175.63 2khq n GLU 85 N -4.46 0.70 0.00 5.26 1.02 -1.11 -4.99 120.64 117.06 2khq n GLU 85 Ca 0.14 0.23 0.00 0.00 -0.02 0.00 0.00 57.16 57.51 2khq n GLU 85 Cb 0.13 -1.69 0.00 0.00 -0.02 0.00 0.00 31.44 29.87 2khq n GLU 85 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2khq n GLY 86 N 1.91 1.74 0.15 0.62 0.00 0.24 -5.02 105.19 104.83 2khq n GLY 86 Ca -0.30 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.73 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 -4.07 1.61 3.20 -0.15 -3.44 116.97 114.12 2khq h TYR 87 Ca 0.00 0.00 -0.16 0.00 3.14 0.00 0.00 58.73 61.71 2khq h TYR 87 Cb 0.00 0.00 -0.18 0.00 1.54 0.00 0.00 36.73 38.09 2khq h TYR 87 CO 0.00 0.54 -0.69 0.54 -1.64 0.00 0.00 178.16 176.90 2khq s VAL 88 N -3.60 0.25 0.04 1.81 0.11 -1.21 -4.96 120.40 112.84 2khq s VAL 88 Ca -0.01 -1.39 -0.17 0.00 -2.93 0.00 0.00 61.98 57.49 2khq s VAL 88 Cb 0.12 -0.93 -0.24 0.00 -1.53 0.00 0.00 36.38 33.80 2khq s VAL 88 CO 0.74 -0.73 1.14 -0.29 -3.33 0.00 0.00 175.10 172.63 2khq h ILE 89 N 3.87 1.36 -2.65 7.04 6.09 -1.92 -3.35 117.51 127.94 2khq h ILE 89 Ca -0.33 -2.17 0.00 0.00 -1.37 0.00 0.00 64.86 60.98 2khq h ILE 89 Cb 1.18 2.51 0.00 0.00 0.47 0.00 0.00 36.82 40.98 2khq h ILE 89 CO 0.53 0.65 0.24 2.29 -3.07 0.00 0.00 178.15 178.79 2khq n LYS 90 N -4.04 0.77 -4.54 2.19 2.85 -1.26 -4.97 118.16 109.16 2khq n LYS 90 Ca -0.11 -1.53 -0.30 0.00 -1.05 0.00 0.00 58.31 55.33 2khq n LYS 90 Cb 0.78 1.93 -0.13 0.00 -0.65 0.00 0.00 35.03 36.96 2khq n LYS 90 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 2khq s ASN 91 N -2.54 3.60 -0.04 -5.58 2.20 -1.26 -4.99 114.94 106.33 2khq s ASN 91 Ca 0.12 -0.56 0.07 0.00 -0.94 0.00 0.00 52.86 51.55 2khq s ASN 91 Cb -0.03 -0.45 0.29 0.00 -2.00 0.00 0.00 41.25 39.05 2khq s ASN 91 CO 0.08 0.22 1.10 -0.81 -2.94 0.00 0.00 177.10 174.75 2khq n PRO 92 N 1.24 2.08 -0.31 3.55 -0.04 -1.26 -4.33 135.00 135.93 2khq n PRO 92 Ca -0.17 -1.13 -0.04 0.00 -0.04 0.00 0.00 63.50 62.13 2khq n PRO 92 Cb 0.52 -1.50 0.07 0.00 -0.04 0.00 0.00 33.50 32.56 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 0.30 1.32 -0.21 0.52 -2.24 -1.26 -3.54 114.28 109.18 2khq n THR 93 Ca 0.10 -0.48 -0.08 0.00 -2.27 0.00 0.00 64.05 61.32 2khq n THR 93 Cb 0.42 -0.71 0.02 0.00 -2.10 0.00 0.00 70.33 67.97 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 0.57 0.91 -3.77 4.78 3.20 -1.93 -3.37 116.97 117.36 2khq h TYR 94 Ca 0.12 -0.08 -0.68 0.00 3.14 0.00 0.00 58.73 61.23 2khq h TYR 94 Cb 1.31 -0.27 -0.35 0.00 1.54 0.00 0.00 36.73 38.96 2khq h TYR 94 CO 0.40 0.75 -0.72 0.15 -1.64 0.00 0.00 178.16 177.10 2khq s LYS 95 N -5.47 2.23 -0.42 1.82 -0.14 -1.26 -5.01 119.74 111.49 2khq s LYS 95 Ca -0.13 -1.40 0.05 0.00 -1.36 0.00 0.00 55.97 53.12 2khq s LYS 95 Cb 0.13 -3.12 0.18 0.00 -1.68 0.00 0.00 37.83 33.33 2khq s LYS 95 CO 0.80 -0.68 0.39 0.00 -0.76 0.00 0.00 175.35 175.10 2khq n ALA 96 N 4.52 2.34 -2.60 5.17 0.00 -1.26 -4.32 120.51 124.35 2khq n ALA 96 Ca -0.11 -2.90 -0.43 0.00 0.00 0.00 0.00 53.44 50.01 2khq n ALA 96 Cb 0.43 -0.83 -0.04 0.00 0.00 0.00 0.00 19.45 19.00 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 0.08 3.43 -0.99 0.00 2.02 -1.26 -4.96 118.70 117.02 2khq s GLU 97 Ca 0.33 -0.05 -0.23 0.00 0.02 0.00 0.00 54.97 55.03 2khq s GLU 97 Cb 0.04 -3.99 0.02 0.00 0.10 0.00 0.00 34.13 30.30 2khq s GLU 97 CO -0.18 -1.36 1.61 -0.51 0.02 0.00 0.00 175.26 174.85 2khq s LEU 98 N 3.86 3.40 -0.28 1.80 1.43 -1.26 -4.86 118.68 122.77 2khq s LEU 98 Ca 0.34 -1.23 0.02 0.00 -1.03 0.00 0.00 54.13 52.23 2khq s LEU 98 Cb -0.11 -2.57 0.06 0.00 0.03 0.00 0.00 46.19 43.60 2khq s LEU 98 CO 0.23 -1.90 -0.07 -1.00 0.23 0.00 0.00 176.35 173.83 2khq s HIS 99 N 6.61 3.31 -0.71 0.29 3.76 -1.26 -5.06 115.29 122.23 2khq s HIS 99 Ca 0.54 -2.29 -0.21 0.00 -0.15 0.00 0.00 55.06 52.95 2khq s HIS 99 Cb -0.02 -2.06 0.09 0.00 1.11 0.00 0.00 32.58 31.70 2khq s HIS 99 CO -0.07 -0.87 0.96 0.00 -0.85 0.00 0.00 174.74 173.91 2khq s ALA 100 N 1.12 3.22 -1.13 -1.40 0.00 -1.26 -4.63 121.76 117.68 2khq s ALA 100 Ca -0.07 -2.12 -0.14 0.00 0.00 0.00 0.00 51.96 49.63 2khq s ALA 100 Cb -0.20 -3.85 0.18 0.00 0.00 0.00 0.00 23.12 19.25 2khq s ALA 100 CO -0.04 -2.76 1.31 0.45 0.00 0.00 0.00 175.76 174.72 2khq s SER 101 N 3.67 7.00 0.00 0.00 0.15 -0.12 -4.31 113.70 120.09 2khq s SER 101 Ca 0.23 -2.86 0.00 0.00 0.70 0.00 0.00 55.95 54.02 2khq s SER 101 Cb -0.15 -2.37 0.00 0.00 -1.71 0.00 0.00 66.02 61.78 2khq s SER 101 CO 0.05 -0.75 0.00 0.52 1.20 0.00 0.00 173.24 174.25 2khq n VAL 102 N 4.56 0.00 -3.48 4.45 0.31 -1.26 -4.35 118.33 118.56 2khq n VAL 102 Ca 0.32 0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 64.23 2khq n VAL 102 Cb 0.44 0.00 -0.10 0.00 -0.91 0.00 0.00 33.84 33.27 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 -2.18 4.97 0.03 7.52 1.43 -1.26 -5.05 118.68 124.14 2khq s LEU 103 Ca 0.00 -0.80 0.09 0.00 -1.03 0.00 0.00 54.13 52.38 2khq s LEU 103 Cb 0.00 -2.15 -0.03 0.00 0.03 0.00 0.00 46.19 44.04 2khq s LEU 103 CO 0.00 -0.40 -0.25 -1.83 0.23 0.00 0.00 176.35 174.10 2khq s GLU 104 N 1.68 1.77 -0.10 1.70 -1.05 -1.26 -5.13 118.70 116.31 2khq s GLU 104 Ca 0.05 -1.04 0.03 0.00 -0.15 0.00 0.00 54.97 53.86 2khq s GLU 104 Cb -0.19 -1.89 0.01 0.00 -0.44 0.00 0.00 34.13 31.62 2khq s GLU 104 CO 0.10 0.49 -0.18 -3.38 0.95 0.00 0.00 175.26 173.24 2khq s HIS 105 N -0.76 2.13 -0.59 4.83 -3.43 -1.26 -5.09 115.29 111.12 2khq s HIS 105 Ca 0.11 -0.95 -0.22 0.00 -0.80 0.00 0.00 55.06 53.20 2khq s HIS 105 Cb -0.10 -1.49 0.06 0.00 -1.43 0.00 0.00 32.58 29.63 2khq s HIS 105 CO 0.01 -0.44 0.85 -1.01 -2.00 0.00 0.00 174.74 172.15 2khq s HIS 106 N 0.73 2.83 -0.06 0.38 0.09 -1.26 -5.03 115.29 112.98 2khq s HIS 106 Ca -0.11 -0.46 -0.04 0.00 -0.00 0.00 0.00 55.06 54.44 2khq s HIS 106 Cb -0.16 -4.03 -0.04 0.00 -0.00 0.00 0.00 32.58 28.35 2khq s HIS 106 CO 0.02 -1.39 0.15 -3.38 -0.00 0.00 0.00 174.74 170.14 2khq s HIS 107 N 3.53 3.54 -0.27 1.40 -3.43 -1.26 -5.06 115.29 113.75 2khq s HIS 107 Ca 0.21 0.42 -0.28 0.00 -0.80 0.00 0.00 55.06 54.61 2khq s HIS 107 Cb -0.17 -1.87 0.01 0.00 -1.43 0.00 0.00 32.58 29.12 2khq s HIS 107 CO 0.12 0.68 1.01 -1.01 -2.00 0.00 0.00 174.74 173.53 2khq s HIS 108 N -1.18 3.26 0.09 0.38 3.76 -1.26 -5.03 115.29 115.31 2khq s HIS 108 Ca 0.21 1.29 -0.09 0.00 -0.15 0.00 0.00 55.06 56.31 2khq s HIS 108 Cb -0.12 -3.38 -0.06 0.00 1.11 0.00 0.00 32.58 30.13 2khq s HIS 108 CO 0.12 -0.57 0.40 -3.38 -0.85 0.00 0.00 174.74 170.46 2khq s HIS 109 N 3.29 3.57 0.00 1.40 -3.43 -1.26 -5.34 115.29 113.52 2khq s HIS 109 Ca 0.42 0.77 0.00 0.00 -0.80 0.00 0.00 55.06 55.46 2khq s HIS 109 Cb -0.14 -2.15 0.00 0.00 -1.43 0.00 0.00 32.58 28.86 2khq s HIS 109 CO 0.10 0.51 0.00 -2.39 -2.00 0.00 0.00 174.74 170.95