#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 5.09 0.42 1.12 2.07 -1.26 -4.99 121.20 123.65 2khq s ILE 2 Ca 0.00 -0.00 -0.24 0.00 -1.41 0.00 0.00 60.65 59.00 2khq s ILE 2 Cb 0.00 -3.70 -0.08 0.00 0.13 0.00 0.00 42.46 38.81 2khq s ILE 2 CO 0.00 -0.18 1.10 0.42 -1.91 0.00 0.00 174.94 174.37 2khq s THR 3 N -1.91 3.47 0.23 4.00 -4.23 -1.26 -2.63 115.64 113.30 2khq s THR 3 Ca 0.42 1.13 -0.05 0.00 -1.18 0.00 0.00 61.69 62.02 2khq s THR 3 Cb -0.11 -3.59 0.10 0.00 1.34 0.00 0.00 72.50 70.24 2khq s THR 3 CO 0.28 0.01 1.71 0.15 -0.54 0.00 0.00 174.62 176.23 2khq h PHE 4 N 2.37 1.00 0.33 3.99 3.57 -1.68 -0.83 116.94 125.69 2khq h PHE 4 Ca -0.49 -0.15 -0.00 0.00 3.53 0.00 0.00 57.97 60.86 2khq h PHE 4 Cb 1.23 -0.27 -0.02 0.00 2.79 0.00 0.00 35.95 39.68 2khq h PHE 4 CO 0.56 0.89 -0.33 0.00 -2.23 0.00 0.00 178.31 177.20 2khq h ALA 5 N 1.15 -0.70 -0.86 2.41 0.00 -1.82 0.43 119.26 119.87 2khq h ALA 5 Ca 0.16 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 2khq h ALA 5 Cb 0.48 0.47 -0.04 0.00 0.00 0.00 0.00 17.79 18.70 2khq h ALA 5 CO 0.02 -0.93 0.44 -0.44 0.00 0.00 0.00 179.25 178.34 2khq h ASP 6 N -0.68 1.11 -0.47 0.00 5.19 -1.89 -2.58 116.42 117.09 2khq h ASP 6 Ca -0.02 -0.12 -0.00 0.00 -0.62 0.00 0.00 57.03 56.27 2khq h ASP 6 Cb 0.62 -0.28 -0.02 0.00 0.18 0.00 0.00 39.33 39.82 2khq h ASP 6 CO -0.06 0.92 0.29 0.22 -3.12 0.00 0.00 179.24 177.49 2khq h TYR 7 N 1.22 0.62 -0.24 4.55 3.20 -0.69 -2.31 116.97 123.31 2khq h TYR 7 Ca 0.30 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.17 2khq h TYR 7 Cb 0.08 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.14 2khq h TYR 7 CO 0.01 0.42 0.14 0.35 -1.64 0.00 0.00 178.16 177.44 2khq h PHE 8 N 0.63 0.33 -0.39 -3.82 3.57 0.23 0.14 116.94 117.64 2khq h PHE 8 Ca 0.17 -0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.57 2khq h PHE 8 Cb -0.02 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 38.60 2khq h PHE 8 CO -0.03 0.27 -0.14 -0.92 -2.23 0.00 0.00 178.31 175.26 2khq h TYR 9 N 0.29 0.89 -0.21 0.41 3.20 -1.42 -1.53 116.97 118.60 2khq h TYR 9 Ca 0.09 -0.21 -0.13 0.00 3.14 0.00 0.00 58.73 61.62 2khq h TYR 9 Cb 0.04 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.09 2khq h TYR 9 CO -0.04 0.94 -0.41 -0.56 -1.64 0.00 0.00 178.16 176.45 2khq h GLN 10 N 0.58 0.50 -0.74 1.82 -0.00 -1.31 0.20 115.11 116.17 2khq h GLN 10 Ca 0.09 -0.25 0.05 0.00 -0.00 0.00 0.00 58.65 58.54 2khq h GLN 10 Cb 0.68 0.00 -0.05 0.00 -0.00 0.00 0.00 27.48 28.11 2khq h GLN 10 CO 0.05 0.82 0.44 2.35 -0.00 0.00 0.00 178.83 182.50 2khq h TRP 11 N 0.41 0.82 0.40 0.06 7.01 -0.49 0.15 115.95 124.31 2khq h TRP 11 Ca 0.03 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 61.04 2khq h TRP 11 Cb 0.89 -0.26 0.00 0.00 -2.10 0.00 0.00 29.16 27.70 2khq h TRP 11 CO 0.03 0.43 -0.19 -0.92 -2.79 0.00 0.00 178.44 175.00 2khq h TYR 12 N 0.83 -0.50 -0.84 2.65 3.20 -0.83 -2.88 116.97 118.60 2khq h TYR 12 Ca 0.32 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.24 2khq h TYR 12 Cb 0.12 0.16 -0.06 0.00 1.54 0.00 0.00 36.73 38.49 2khq h TYR 12 CO -0.05 -0.17 0.52 1.49 -1.64 0.00 0.00 178.16 178.31 2khq h GLU 13 N -0.93 0.91 -0.14 1.82 4.22 -0.38 0.33 114.58 120.40 2khq h GLU 13 Ca -0.05 -0.05 -0.13 0.00 0.08 0.00 0.00 59.36 59.20 2khq h GLU 13 Cb 0.55 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 2khq h GLU 13 CO 0.09 0.60 -0.46 0.28 -2.18 0.00 0.00 179.01 177.34 2khq h VAL 14 N 0.94 1.33 0.00 0.32 2.07 -0.80 -3.40 116.25 116.70 2khq h VAL 14 Ca 0.37 -1.66 0.00 0.00 0.82 0.00 0.00 66.70 66.24 2khq h VAL 14 Cb 0.20 1.73 0.00 0.00 -1.52 0.00 0.00 31.29 31.69 2khq h VAL 14 CO -0.18 0.50 -0.29 0.59 0.02 0.00 0.00 177.57 178.21 2khq n ASN 15 N -3.99 0.72 -4.37 0.57 3.02 -0.70 -4.87 115.26 105.65 2khq n ASN 15 Ca -0.02 0.11 -0.45 0.00 -0.03 0.00 0.00 54.58 54.19 2khq n ASN 15 Cb 0.53 -0.45 -0.03 0.00 -0.61 0.00 0.00 39.78 39.22 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 -1.69 3.34 0.39 3.52 3.01 0.11 -4.66 119.74 123.75 2khq s LYS 16 Ca -0.08 -1.84 0.00 0.00 -1.01 0.00 0.00 55.97 53.03 2khq s LYS 16 Cb 0.01 -4.45 0.00 0.00 -1.01 0.00 0.00 37.83 32.38 2khq s LYS 16 CO 0.12 -1.48 0.00 -0.11 0.51 0.00 0.00 175.35 174.40 2khq n LEU 17 N 5.44 -2.26 0.21 3.17 7.94 -1.26 -4.30 117.00 125.93 2khq n LEU 17 Ca 0.04 0.71 0.15 0.00 -1.11 0.00 0.00 56.01 55.80 2khq n LEU 17 Cb 0.45 2.22 0.59 0.00 0.53 0.00 0.00 43.42 47.21 2khq n LEU 17 CO 0.48 -0.23 0.93 1.55 -1.11 0.00 0.00 177.39 179.00 2khq h PRO 18 N 0.00 0.00 -0.00 1.96 0.13 -1.88 -2.64 132.00 129.56 2khq h PRO 18 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2khq h PRO 18 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2khq h PRO 18 CO 0.00 0.00 -0.54 0.72 -0.23 0.00 0.00 178.00 177.95 2khq n HIS 19 N -2.68 0.00 -4.53 1.56 8.25 -1.26 -4.91 115.22 111.65 2khq n HIS 19 Ca 0.01 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.23 2khq n HIS 19 Cb 0.27 -0.19 -0.10 0.00 1.12 0.00 0.00 29.99 31.09 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 -2.92 1.37 0.43 1.59 -7.23 -1.00 -5.17 120.40 107.48 2khq s VAL 20 Ca 0.13 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.37 2khq s VAL 20 Cb 0.18 -2.77 -0.03 0.00 0.56 0.00 0.00 36.38 34.32 2khq s VAL 20 CO 0.70 0.00 0.25 -0.44 -0.31 0.00 0.00 175.10 175.30 2khq s SER 21 N -3.59 4.60 0.59 4.85 0.01 -1.26 -4.88 113.70 114.02 2khq s SER 21 Ca 0.33 -1.03 0.34 0.00 1.31 0.00 0.00 55.95 56.90 2khq s SER 21 Cb 0.08 -0.38 1.84 0.00 0.21 0.00 0.00 66.02 67.78 2khq s SER 21 CO 0.15 -0.64 2.21 -0.33 0.41 0.00 0.00 173.24 175.04 2khq h GLU 22 N 1.24 0.00 -0.99 12.44 5.08 -1.97 0.10 114.58 130.48 2khq h GLU 22 Ca -0.42 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 57.95 2khq h GLU 22 Cb 1.26 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.46 2khq h GLU 22 CO 0.65 0.04 0.65 1.03 -1.00 0.00 0.00 179.01 180.39 2khq h SER 23 N 0.00 1.15 0.11 1.42 0.87 -2.00 0.35 113.55 115.45 2khq h SER 23 Ca -0.00 -0.03 -0.25 0.00 -1.23 0.00 0.00 61.79 60.28 2khq h SER 23 Cb 0.15 -0.29 0.01 0.00 -0.44 0.00 0.00 62.40 61.83 2khq h SER 23 CO 0.00 0.84 -0.98 0.74 -0.53 0.00 0.00 176.83 176.90 2khq h THR 24 N 1.35 1.32 -0.81 2.23 2.02 -1.28 -3.13 112.91 114.61 2khq h THR 24 Ca 0.36 -2.29 0.09 0.00 0.77 0.00 0.00 66.41 65.35 2khq h THR 24 Cb -0.15 2.35 -0.06 0.00 -1.74 0.00 0.00 68.15 68.56 2khq h THR 24 CO -0.08 0.70 0.53 0.11 0.37 0.00 0.00 175.52 177.15 2khq h LYS 25 N 0.35 0.74 -0.84 6.66 1.57 -0.48 -1.75 116.57 122.81 2khq h LYS 25 Ca -0.10 -0.04 0.09 0.00 -1.87 0.00 0.00 60.65 58.72 2khq h LYS 25 Cb 1.62 -0.17 -0.06 0.00 0.08 0.00 0.00 32.23 33.71 2khq h LYS 25 CO 0.19 0.49 0.55 -0.09 -0.57 0.00 0.00 179.45 180.01 2khq h ARG 26 N 0.76 0.81 -0.08 3.15 9.65 -0.26 0.84 114.38 129.25 2khq h ARG 26 Ca 0.37 -0.05 -0.06 0.00 -1.10 0.00 0.00 59.98 59.14 2khq h ARG 26 Cb 0.42 -0.18 0.00 0.00 -1.39 0.00 0.00 29.97 28.82 2khq h ARG 26 CO -0.14 0.53 -0.18 0.45 2.80 0.00 0.00 179.97 183.43 2khq h HIS 27 N 0.83 0.33 -0.53 2.20 3.86 -1.42 0.88 115.15 121.30 2khq h HIS 27 Ca 0.39 -0.12 -0.05 0.00 -1.16 0.00 0.00 60.37 59.42 2khq h HIS 27 Cb 0.39 -0.06 -0.02 0.00 1.06 0.00 0.00 27.41 28.78 2khq h HIS 27 CO -0.00 0.79 0.14 1.88 0.86 0.00 0.00 177.93 181.60 2khq h TYR 28 N -0.22 0.88 -0.50 2.45 -1.99 -1.10 -1.74 116.97 114.76 2khq h TYR 28 Ca -0.00 -0.10 -0.12 0.00 2.00 0.00 0.00 58.73 60.51 2khq h TYR 28 Cb 0.78 -0.25 -0.01 0.00 2.00 0.00 0.00 36.73 39.24 2khq h TYR 28 CO 0.12 0.76 -0.15 0.93 -0.00 0.00 0.00 178.16 179.82 2khq h GLU 29 N 0.74 0.98 -0.52 4.88 5.08 0.62 0.15 114.58 126.51 2khq h GLU 29 Ca 0.17 -0.39 0.10 0.00 -1.00 0.00 0.00 59.36 58.24 2khq h GLU 29 Cb 0.31 -0.05 -0.09 0.00 0.50 0.00 0.00 28.75 29.43 2khq h GLU 29 CO -0.00 1.06 0.01 1.03 -1.00 0.00 0.00 179.01 180.11 2khq h SER 30 N 0.84 -0.21 -0.00 1.42 0.87 -0.58 0.49 113.55 116.39 2khq h SER 30 Ca 0.12 0.12 0.02 0.00 -1.23 0.00 0.00 61.79 60.82 2khq h SER 30 Cb 0.72 0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 62.88 2khq h SER 30 CO 0.06 -0.07 -0.10 0.00 -0.53 0.00 0.00 176.83 176.18 2khq h ALA 31 N 1.46 -0.11 -0.67 6.23 0.00 -1.01 -2.70 119.26 122.47 2khq h ALA 31 Ca 0.27 0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.25 2khq h ALA 31 Cb 0.41 0.18 -0.06 0.00 0.00 0.00 0.00 17.79 18.32 2khq h ALA 31 CO -0.43 -0.59 0.37 -0.92 0.00 0.00 0.00 179.25 177.68 2khq h TYR 32 N -0.17 0.68 -0.45 0.00 3.20 0.80 0.36 116.97 121.39 2khq h TYR 32 Ca 0.04 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.93 2khq h TYR 32 Cb 0.22 -0.21 -0.02 0.00 1.54 0.00 0.00 36.73 38.26 2khq h TYR 32 CO -0.16 0.32 0.25 0.87 -1.64 0.00 0.00 178.16 177.80 2khq h LYS 33 N 0.68 0.62 -0.05 1.82 1.79 0.03 0.55 116.57 122.02 2khq h LYS 33 Ca 0.30 -0.07 -0.15 0.00 -2.18 0.00 0.00 60.65 58.56 2khq h LYS 33 Cb 0.19 -0.12 -0.01 0.00 -1.58 0.00 0.00 32.23 30.71 2khq h LYS 33 CO -0.19 0.49 -0.64 0.45 -1.08 0.00 0.00 179.45 178.48 2khq h HIS 34 N 0.59 0.23 -0.10 -1.35 3.86 -1.11 -0.54 115.15 116.72 2khq h HIS 34 Ca 0.16 -0.09 -0.01 0.00 -1.16 0.00 0.00 60.37 59.27 2khq h HIS 34 Cb 0.04 -0.04 -0.00 0.00 1.06 0.00 0.00 27.41 28.47 2khq h HIS 34 CO -0.02 0.76 0.03 0.82 0.86 0.00 0.00 177.93 180.38 2khq h ILE 35 N 0.13 1.19 0.00 2.45 2.04 0.26 -1.61 117.51 121.96 2khq h ILE 35 Ca -0.01 -0.57 -0.02 0.00 1.00 0.00 0.00 64.86 65.26 2khq h ILE 35 Cb 1.15 1.37 -0.00 0.00 -0.74 0.00 0.00 36.82 38.59 2khq h ILE 35 CO 0.09 0.17 -0.11 0.50 0.00 0.00 0.00 178.15 178.80 2khq h LYS 36 N -0.03 0.00 -0.10 2.37 3.64 0.28 0.94 116.57 123.67 2khq h LYS 36 Ca 0.03 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.35 2khq h LYS 36 Cb 0.23 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.05 2khq h LYS 36 CO -0.00 0.11 -0.17 0.22 -2.27 0.00 0.00 179.45 177.34 2khq h ASP 37 N 0.00 0.33 0.86 4.20 3.58 -0.86 -3.17 116.42 121.35 2khq h ASP 37 Ca -0.00 -0.54 -0.19 0.00 0.42 0.00 0.00 57.03 56.72 2khq h ASP 37 Cb 0.22 -0.09 -0.03 0.00 1.72 0.00 0.00 39.33 41.15 2khq h ASP 37 CO 0.01 0.81 -1.23 0.45 -2.88 0.00 0.00 179.24 176.40 2khq h HIS 38 N -0.14 0.00 -2.92 0.28 3.86 -0.85 -3.41 115.15 111.97 2khq h HIS 38 Ca 0.01 0.00 -0.61 0.00 -1.16 0.00 0.00 60.37 58.60 2khq h HIS 38 Cb 0.75 0.00 -0.41 0.00 1.06 0.00 0.00 27.41 28.81 2khq h HIS 38 CO 0.10 0.70 -0.71 -0.06 0.86 0.00 0.00 177.93 178.83 2khq s PHE 39 N -2.84 2.62 -0.04 2.45 0.08 0.32 -4.95 117.98 115.63 2khq s PHE 39 Ca -0.01 -2.90 -0.03 0.00 0.12 0.00 0.00 56.93 54.11 2khq s PHE 39 Cb 0.08 -2.12 -0.01 0.00 -0.57 0.00 0.00 43.02 40.40 2khq s PHE 39 CO 0.80 -0.68 0.18 0.00 -0.10 0.00 0.00 175.22 175.43 2khq h ARG 40 N 5.83 -0.09 -3.11 0.44 -0.00 -1.75 -3.37 114.38 112.32 2khq h ARG 40 Ca 0.12 0.01 -0.62 0.00 -0.50 0.00 0.00 59.98 58.99 2khq h ARG 40 Cb 0.84 0.02 -0.42 0.00 0.00 0.00 0.00 29.97 30.41 2khq h ARG 40 CO 0.58 -0.06 -0.60 -1.01 0.00 0.00 0.00 179.97 178.88 2khq s HIS 41 N -1.71 3.36 -0.20 3.04 3.76 -1.26 -4.83 115.29 117.44 2khq s HIS 41 Ca -0.01 -3.25 -0.04 0.00 -0.15 0.00 0.00 55.06 51.60 2khq s HIS 41 Cb 0.00 -2.64 0.07 0.00 1.11 0.00 0.00 32.58 31.12 2khq s HIS 41 CO 0.04 -0.60 0.09 0.21 -0.85 0.00 0.00 174.74 173.63 2khq s LYS 42 N -1.12 0.16 0.68 1.40 2.20 -1.26 -5.10 119.74 116.70 2khq s LYS 42 Ca 0.23 -0.23 -0.17 0.00 -0.36 0.00 0.00 55.97 55.45 2khq s LYS 42 Cb -0.09 -1.72 -0.01 0.00 -1.51 0.00 0.00 37.83 34.49 2khq s LYS 42 CO -0.13 -0.75 1.00 1.28 -0.36 0.00 0.00 175.35 176.40 2khq n LEU 43 N 5.24 3.90 0.00 5.43 4.77 -1.26 -2.09 117.00 132.99 2khq n LEU 43 Ca -0.07 0.73 0.08 0.00 -0.03 0.00 0.00 56.01 56.72 2khq n LEU 43 Cb 0.47 -1.42 0.42 0.00 -2.33 0.00 0.00 43.42 40.56 2khq n LEU 43 CO 0.09 -1.86 0.75 0.00 -1.33 0.00 0.00 177.39 175.03 2khq n LEU 44 N -1.44 0.00 -0.09 2.23 -0.00 -1.08 -0.49 117.00 116.14 2khq n LEU 44 Ca 0.14 0.30 0.12 0.00 -0.00 0.00 0.00 56.01 56.57 2khq n LEU 44 Cb 0.49 -0.30 0.15 0.00 -0.00 0.00 0.00 43.42 43.75 2khq n LEU 44 CO 0.49 -0.13 0.34 2.29 -0.00 0.00 0.00 177.39 180.37 2khq n LYS 45 N -1.30 0.26 -0.05 1.47 2.85 -1.26 -4.14 118.16 115.99 2khq n LYS 45 Ca 0.08 -0.18 -0.12 0.00 -1.05 0.00 0.00 58.31 57.04 2khq n LYS 45 Cb 0.14 -1.50 -0.14 0.00 -0.65 0.00 0.00 35.03 32.88 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 -1.21 0.88 -4.74 -5.58 2.03 0.36 -4.89 116.55 103.40 2khq n ASP 46 Ca 0.07 0.22 -0.41 0.00 0.52 0.00 0.00 54.79 55.18 2khq n ASP 46 Cb 0.35 0.11 -0.03 0.00 -0.72 0.00 0.00 41.12 40.83 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 -2.55 3.33 0.15 5.18 1.01 -0.99 -4.96 121.20 122.38 2khq s ILE 47 Ca -0.11 1.12 0.03 0.00 0.00 0.00 0.00 60.65 61.69 2khq s ILE 47 Cb 0.07 -3.71 -0.01 0.00 0.01 0.00 0.00 42.46 38.82 2khq s ILE 47 CO 0.80 0.18 0.13 2.29 0.00 0.00 0.00 174.94 178.33 2khq n LYS 48 N 2.48 0.21 -0.22 2.79 2.85 -1.26 -4.66 118.16 120.36 2khq n LYS 48 Ca 0.05 -1.53 0.05 0.00 -1.05 0.00 0.00 58.31 55.83 2khq n LYS 48 Cb 0.43 1.24 0.30 0.00 -0.65 0.00 0.00 35.03 36.36 2khq n LYS 48 CO 0.00 0.00 0.00 0.07 -0.05 0.00 0.00 177.40 177.42 2khq h ARG 49 N 0.00 0.85 -0.19 -1.58 0.11 -1.80 0.21 114.38 111.98 2khq h ARG 49 Ca -0.11 -0.05 -0.16 0.00 0.10 0.00 0.00 59.98 59.76 2khq h ARG 49 Cb 0.55 -0.19 -0.01 0.00 1.11 0.00 0.00 29.97 31.43 2khq h ARG 49 CO 0.16 0.56 -0.56 1.79 0.10 0.00 0.00 179.97 182.03 2khq h THR 50 N 0.87 1.32 -0.32 0.08 1.35 -1.85 -1.13 112.91 113.23 2khq h THR 50 Ca 0.32 -1.80 -0.13 0.00 -0.55 0.00 0.00 66.41 64.26 2khq h THR 50 Cb 0.17 1.77 -0.01 0.00 -1.73 0.00 0.00 68.15 68.34 2khq h THR 50 CO -0.11 0.56 -0.32 -0.33 -0.25 0.00 0.00 175.52 175.08 2khq h GLU 51 N 0.45 0.69 -0.37 4.72 4.39 -1.50 -2.32 114.58 120.65 2khq h GLU 51 Ca 0.01 -0.32 -0.16 0.00 0.34 0.00 0.00 59.36 59.23 2khq h GLU 51 Cb 1.11 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.74 2khq h GLU 51 CO 0.11 0.92 -0.38 -0.92 -1.16 0.00 0.00 179.01 177.58 2khq h TYR 52 N 0.59 1.06 -0.94 4.33 3.20 -0.59 -2.99 116.97 121.63 2khq h TYR 52 Ca 0.07 -0.31 0.04 0.00 3.14 0.00 0.00 58.73 61.66 2khq h TYR 52 Cb 0.83 -0.22 -0.06 0.00 1.54 0.00 0.00 36.73 38.82 2khq h TYR 52 CO 0.04 1.12 0.62 0.37 -1.64 0.00 0.00 178.16 178.67 2khq h GLN 53 N 0.73 1.14 -0.04 1.82 5.75 -0.95 -0.46 115.11 123.10 2khq h GLN 53 Ca 0.06 -0.07 0.03 0.00 -0.15 0.00 0.00 58.65 58.52 2khq h GLN 53 Cb 0.96 -0.26 -0.03 0.00 1.07 0.00 0.00 27.48 29.22 2khq h GLN 53 CO 0.09 0.75 -0.13 0.87 -2.65 0.00 0.00 178.83 177.76 2khq h LYS 54 N 1.17 -0.20 -0.47 1.69 1.57 -1.28 -0.35 116.57 118.70 2khq h LYS 54 Ca 0.38 0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 59.16 2khq h LYS 54 Cb 0.03 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 2khq h LYS 54 CO -0.12 -0.13 0.23 0.35 -0.57 0.00 0.00 179.45 179.21 2khq h PHE 55 N -0.21 0.68 -0.48 -1.35 3.57 -1.36 -2.63 116.94 115.17 2khq h PHE 55 Ca 0.06 -0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.52 2khq h PHE 55 Cb 0.29 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 38.79 2khq h PHE 55 CO -0.21 0.53 0.25 -0.07 -2.23 0.00 0.00 178.31 176.59 2khq h LEU 56 N 0.62 0.60 0.06 0.59 3.38 -0.83 -1.04 115.31 118.70 2khq h LEU 56 Ca 0.16 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 2khq h LEU 56 Cb 0.11 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.70 2khq h LEU 56 CO -0.02 0.53 -0.03 0.78 0.09 0.00 0.00 178.44 179.79 2khq h ASN 57 N 0.63 -0.07 0.47 -0.43 2.35 -0.90 0.22 115.58 117.85 2khq h ASN 57 Ca 0.17 -0.03 -0.11 0.00 -0.55 0.00 0.00 56.30 55.78 2khq h ASN 57 Cb 0.07 0.02 -0.01 0.00 0.05 0.00 0.00 38.32 38.45 2khq h ASN 57 CO -0.03 -0.02 -0.50 -0.33 -1.65 0.00 0.00 177.43 174.90 2khq h GLU 58 N -0.11 0.04 0.11 0.81 5.08 -1.41 -2.62 114.58 116.48 2khq h GLU 58 Ca -0.01 -0.02 -0.29 0.00 -1.00 0.00 0.00 59.36 58.04 2khq h GLU 58 Cb 0.09 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.37 2khq h GLU 58 CO 0.01 0.53 -1.23 -0.92 -1.00 0.00 0.00 179.01 176.41 2khq h TYR 59 N 0.03 0.92 0.00 4.33 3.20 -0.96 -3.30 116.97 121.19 2khq h TYR 59 Ca -0.00 -0.58 -0.07 0.00 3.14 0.00 0.00 58.73 61.22 2khq h TYR 59 Cb 0.90 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 39.09 2khq h TYR 59 CO 0.00 1.43 -0.32 0.78 -1.64 0.00 0.00 178.16 178.41 2khq h GLY 60 N 0.54 0.00 1.78 1.82 0.00 -0.45 -2.32 103.07 104.43 2khq h GLY 60 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.16 2khq h GLY 60 CO 0.23 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.81 2khq n LEU 61 N -3.63 0.00 0.00 3.11 4.77 -1.00 -3.39 117.00 116.86 2khq n LEU 61 Ca -0.01 0.39 0.00 0.00 -0.03 0.00 0.00 56.01 56.36 2khq n LEU 61 Cb 0.44 -0.39 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 2khq n LEU 61 CO 0.36 -0.03 0.30 0.35 -1.33 0.00 0.00 177.39 177.04 2khq n THR 62 N -1.39 0.33 -4.06 -5.08 -2.24 -0.95 -4.86 114.28 96.04 2khq n THR 62 Ca 0.10 -0.56 -0.10 0.00 -2.27 0.00 0.00 64.05 61.22 2khq n THR 62 Cb 0.27 0.95 -0.09 0.00 -2.10 0.00 0.00 70.33 69.37 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 -0.33 0.64 0.74 4.78 3.76 -0.92 -5.09 115.29 118.86 2khq s HIS 63 Ca 0.00 -1.01 -0.11 0.00 -0.15 0.00 0.00 55.06 53.79 2khq s HIS 63 Cb 0.00 -0.28 0.04 0.00 1.11 0.00 0.00 32.58 33.45 2khq s HIS 63 CO 0.00 -0.61 1.08 -1.12 -0.85 0.00 0.00 174.74 173.24 2khq s SER 64 N -3.01 4.80 0.24 1.40 0.01 -1.26 -4.74 113.70 111.13 2khq s SER 64 Ca 0.20 1.78 -0.06 0.00 1.31 0.00 0.00 55.95 59.18 2khq s SER 64 Cb 0.06 -2.52 0.29 0.00 0.21 0.00 0.00 66.02 64.06 2khq s SER 64 CO 0.01 -1.84 1.88 0.22 0.41 0.00 0.00 173.24 173.91 2khq h TYR 65 N -0.92 1.06 -0.04 2.43 3.20 -1.90 -1.86 116.97 118.93 2khq h TYR 65 Ca -0.44 0.03 -0.13 0.00 3.14 0.00 0.00 58.73 61.33 2khq h TYR 65 Cb 1.23 -0.35 -0.01 0.00 1.54 0.00 0.00 36.73 39.13 2khq h TYR 65 CO 0.59 0.59 -0.56 1.49 -1.64 0.00 0.00 178.16 178.62 2khq h GLU 66 N 1.08 0.13 -0.31 1.82 4.81 -1.98 0.33 114.58 120.45 2khq h GLU 66 Ca 0.36 -0.08 -0.00 0.00 -0.13 0.00 0.00 59.36 59.51 2khq h GLU 66 Cb 0.05 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 2khq h GLU 66 CO -0.13 0.66 0.18 1.15 -0.73 0.00 0.00 179.01 180.13 2khq h THR 67 N 0.10 1.12 -0.04 0.32 2.02 -1.72 0.14 112.91 114.85 2khq h THR 67 Ca -0.00 -0.31 -0.17 0.00 0.77 0.00 0.00 66.41 66.69 2khq h THR 67 Cb 1.02 0.76 -0.01 0.00 -1.74 0.00 0.00 68.15 68.18 2khq h THR 67 CO 0.08 0.12 -0.73 -0.29 0.37 0.00 0.00 175.52 175.07 2khq h ILE 68 N 0.39 1.43 -0.35 3.11 2.10 -1.35 -2.32 117.51 120.52 2khq h ILE 68 Ca 0.11 -2.26 -0.01 0.00 1.08 0.00 0.00 64.86 63.78 2khq h ILE 68 Cb 0.04 2.20 -0.02 0.00 -1.09 0.00 0.00 36.82 37.96 2khq h ILE 68 CO -0.02 0.67 0.16 -0.09 -1.08 0.00 0.00 178.15 177.79 2khq h ARG 69 N 0.17 0.51 -0.15 2.19 2.43 -0.47 0.12 114.38 119.18 2khq h ARG 69 Ca -0.03 -0.08 -0.13 0.00 -0.81 0.00 0.00 59.98 58.94 2khq h ARG 69 Cb 1.30 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.75 2khq h ARG 69 CO 0.12 0.48 -0.46 1.57 -1.51 0.00 0.00 179.97 180.16 2khq h LYS 70 N 0.43 0.37 -0.24 0.20 2.10 -0.76 -2.19 116.57 116.48 2khq h LYS 70 Ca 0.12 -0.20 0.04 0.00 -2.00 0.00 0.00 60.65 58.61 2khq h LYS 70 Cb 0.14 0.01 -0.04 0.00 -0.90 0.00 0.00 32.23 31.44 2khq h LYS 70 CO -0.01 0.76 0.00 1.25 -2.00 0.00 0.00 179.45 179.44 2khq h LEU 71 N 0.30 -0.09 -0.96 7.07 5.85 -1.08 -1.88 115.31 124.51 2khq h LEU 71 Ca 0.02 0.05 0.10 0.00 0.84 0.00 0.00 57.88 58.90 2khq h LEU 71 Cb 0.93 0.09 -0.08 0.00 0.37 0.00 0.00 40.66 41.97 2khq h LEU 71 CO 0.08 -0.02 0.60 -1.13 -0.34 0.00 0.00 178.44 177.63 2khq h ASN 72 N 0.07 0.89 -0.59 1.25 -1.24 -0.41 -1.45 115.58 114.10 2khq h ASN 72 Ca 0.11 0.04 -0.07 0.00 0.71 0.00 0.00 56.30 57.09 2khq h ASN 72 Cb 0.14 -0.14 -0.03 0.00 0.73 0.00 0.00 38.32 39.03 2khq h ASN 72 CO -0.19 0.50 0.11 -1.28 -1.29 0.00 0.00 177.43 175.28 2khq h SER 73 N 0.98 0.95 -0.06 1.15 0.87 -0.88 -1.43 113.55 115.12 2khq h SER 73 Ca 0.46 -0.21 -0.01 0.00 -1.23 0.00 0.00 61.79 60.80 2khq h SER 73 Cb 0.40 -0.25 -0.00 0.00 -0.44 0.00 0.00 62.40 62.11 2khq h SER 73 CO -0.24 0.94 -0.01 1.88 -0.53 0.00 0.00 176.83 178.87 2khq h TYR 74 N 0.94 0.12 -0.32 2.24 0.05 -0.51 -1.49 116.97 118.00 2khq h TYR 74 Ca 0.19 -0.02 -0.09 0.00 0.05 0.00 0.00 58.73 58.86 2khq h TYR 74 Cb 0.39 -0.03 -0.02 0.00 1.01 0.00 0.00 36.73 38.09 2khq h TYR 74 CO 0.03 0.43 -0.18 0.82 -1.05 0.00 0.00 178.16 178.20 2khq h ILE 75 N -0.22 1.26 -0.71 -2.88 2.04 -1.32 0.17 117.51 115.84 2khq h ILE 75 Ca 0.01 -1.19 -0.05 0.00 1.00 0.00 0.00 64.86 64.63 2khq h ILE 75 Cb 0.38 1.21 -0.03 0.00 -0.74 0.00 0.00 36.82 37.64 2khq h ILE 75 CO 0.00 0.39 0.23 0.03 0.00 0.00 0.00 178.15 178.81 2khq h ARG 76 N 0.53 1.10 -0.41 2.37 3.08 -1.21 -1.11 114.38 118.74 2khq h ARG 76 Ca 0.09 -0.23 -0.14 0.00 0.07 0.00 0.00 59.98 59.77 2khq h ARG 76 Cb 0.62 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.50 2khq h ARG 76 CO 0.04 0.94 -0.30 -0.97 -1.07 0.00 0.00 179.97 178.61 2khq h ASN 77 N 1.04 0.96 -0.43 7.04 -0.00 -0.66 -0.23 115.58 123.31 2khq h ASN 77 Ca 0.23 -0.44 -0.01 0.00 -0.00 0.00 0.00 56.30 56.08 2khq h ASN 77 Cb 0.29 -0.27 -0.02 0.00 -0.00 0.00 0.00 38.32 38.32 2khq h ASN 77 CO -0.01 1.19 0.22 0.00 -0.00 0.00 0.00 177.43 178.83 2khq h ALA 78 N 0.80 0.55 -0.02 1.57 0.00 -0.48 -0.76 119.26 120.92 2khq h ALA 78 Ca 0.08 -0.10 -0.16 0.00 0.00 0.00 0.00 54.91 54.72 2khq h ALA 78 Cb 0.88 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 2khq h ALA 78 CO 0.08 0.10 -0.74 0.74 0.00 0.00 0.00 179.25 179.43 2khq h PHE 79 N 0.55 0.16 -0.75 0.00 0.04 -1.20 -2.23 116.94 113.51 2khq h PHE 79 Ca 0.15 -0.08 -0.04 0.00 2.80 0.00 0.00 57.97 60.80 2khq h PHE 79 Cb 0.10 -0.02 -0.03 0.00 2.20 0.00 0.00 35.95 38.19 2khq h PHE 79 CO -0.01 0.81 0.30 0.22 -0.60 0.00 0.00 178.31 179.02 2khq h ASP 80 N 0.07 1.03 -0.20 2.17 3.58 -0.68 0.17 116.42 122.57 2khq h ASP 80 Ca -0.02 -0.15 -0.01 0.00 0.42 0.00 0.00 57.03 57.27 2khq h ASP 80 Cb 1.30 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 42.07 2khq h ASP 80 CO 0.11 0.91 0.09 0.44 -2.88 0.00 0.00 179.24 177.91 2khq h ASP 81 N 1.10 0.27 -0.28 2.28 3.32 -1.06 -1.10 116.42 120.95 2khq h ASP 81 Ca 0.25 -0.15 0.05 0.00 0.02 0.00 0.00 57.03 57.20 2khq h ASP 81 Cb 0.20 -0.07 -0.04 0.00 0.22 0.00 0.00 39.33 39.64 2khq h ASP 81 CO -0.02 0.35 -0.00 0.00 -1.72 0.00 0.00 179.24 177.85 2khq h ALA 82 N 0.94 0.25 -0.09 3.45 0.00 -0.74 0.90 119.26 123.96 2khq h ALA 82 Ca 0.07 0.08 -0.12 0.00 0.00 0.00 0.00 54.91 54.94 2khq h ALA 82 Cb 0.16 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2khq h ALA 82 CO -0.01 -0.41 -0.49 0.97 0.00 0.00 0.00 179.25 179.31 2khq h ILE 83 N 0.08 1.34 0.00 0.00 2.10 -0.68 0.17 117.51 120.52 2khq h ILE 83 Ca 0.13 -1.70 -0.08 0.00 1.08 0.00 0.00 64.86 64.29 2khq h ILE 83 Cb 0.18 1.81 -0.01 0.00 -1.09 0.00 0.00 36.82 37.71 2khq h ILE 83 CO -0.23 0.51 -0.37 -0.74 -1.08 0.00 0.00 178.15 176.24 2khq h HIS 84 N 0.19 0.00 -0.05 2.19 2.76 -0.48 -2.90 115.15 116.86 2khq h HIS 84 Ca 0.01 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.18 2khq h HIS 84 Cb 0.93 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.89 2khq h HIS 84 CO 0.02 0.37 0.00 0.39 -1.30 0.00 0.00 177.93 177.41 2khq n GLU 85 N -3.50 1.98 -2.00 5.26 -0.58 0.24 -4.91 120.64 117.13 2khq n GLU 85 Ca -0.00 -1.43 -0.13 0.00 -0.42 0.00 0.00 57.16 55.18 2khq n GLU 85 Cb 0.52 -1.47 -0.02 0.00 -0.57 0.00 0.00 31.44 29.90 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 1.26 0.27 0.08 0.62 0.00 -1.03 -4.92 105.19 101.46 2khq n GLY 86 Ca 0.17 -0.37 -0.10 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.03 -4.32 1.61 3.20 -0.92 -3.48 116.97 113.04 2khq h TYR 87 Ca -0.29 -0.00 -0.16 0.00 3.14 0.00 0.00 58.73 61.42 2khq h TYR 87 Cb 1.12 0.01 -0.15 0.00 1.54 0.00 0.00 36.73 39.25 2khq h TYR 87 CO 0.35 0.62 -0.62 0.14 -1.64 0.00 0.00 178.16 177.01 2khq s VAL 88 N -2.41 0.13 -0.57 1.81 -7.23 -1.18 -5.02 120.40 105.94 2khq s VAL 88 Ca -0.14 -1.82 0.06 0.00 -1.81 0.00 0.00 61.98 58.28 2khq s VAL 88 Cb -0.01 -1.87 0.25 0.00 0.56 0.00 0.00 36.38 35.30 2khq s VAL 88 CO 0.50 -0.59 0.67 0.00 -0.31 0.00 0.00 175.10 175.37 2khq n ILE 89 N -0.05 1.49 -3.80 -0.62 3.06 -1.26 -3.63 119.36 114.55 2khq n ILE 89 Ca -0.08 -4.87 -0.13 0.00 -2.50 0.00 0.00 62.75 55.18 2khq n ILE 89 Cb 0.63 -2.06 -0.10 0.00 0.54 0.00 0.00 39.64 38.65 2khq n ILE 89 CO 0.00 0.00 0.00 -0.54 -2.50 0.00 0.00 176.55 173.51 2khq s LYS 90 N -2.07 0.54 -0.57 9.51 1.02 -1.26 -5.10 119.74 121.82 2khq s LYS 90 Ca 0.38 -0.13 0.04 0.00 0.02 0.00 0.00 55.97 56.28 2khq s LYS 90 Cb 0.15 0.24 0.15 0.00 -0.52 0.00 0.00 37.83 37.84 2khq s LYS 90 CO -0.05 -0.13 0.35 -0.80 -0.92 0.00 0.00 175.35 173.80 2khq s ASN 91 N -1.03 4.25 0.00 2.83 0.02 -1.26 -4.88 114.94 114.86 2khq s ASN 91 Ca -0.11 -3.27 0.24 0.00 -1.02 0.00 0.00 52.86 48.70 2khq s ASN 91 Cb -0.05 -1.48 1.37 0.00 0.02 0.00 0.00 41.25 41.10 2khq s ASN 91 CO 0.03 -0.18 1.80 -0.81 0.02 0.00 0.00 177.10 177.96 2khq n PRO 92 N 2.74 0.63 -0.07 -0.60 -0.04 -1.26 -3.27 135.00 133.12 2khq n PRO 92 Ca 0.12 0.02 0.06 0.00 -0.04 0.00 0.00 63.50 63.66 2khq n PRO 92 Cb 0.34 -1.50 0.25 0.00 -0.04 0.00 0.00 33.50 32.55 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 -1.09 0.19 -2.46 0.52 -2.24 -1.26 -3.39 114.28 104.54 2khq n THR 93 Ca 0.16 -0.22 -0.29 0.00 -2.27 0.00 0.00 64.05 61.44 2khq n THR 93 Cb 0.12 0.09 -0.00 0.00 -2.10 0.00 0.00 70.33 68.44 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 -1.81 3.57 -1.17 4.78 5.04 -1.20 -3.91 117.35 122.65 2khq s TYR 94 Ca 0.20 0.96 0.00 0.00 -2.44 0.00 0.00 57.07 55.79 2khq s TYR 94 Cb 0.10 -2.42 0.00 0.00 0.35 0.00 0.00 41.96 39.99 2khq s TYR 94 CO 0.15 -0.36 0.00 1.63 -1.34 0.00 0.00 175.55 175.63 2khq n LYS 95 N -2.29 -0.90 -1.71 4.97 4.76 -1.26 -4.56 118.16 117.17 2khq n LYS 95 Ca 0.02 0.86 -0.43 0.00 -2.87 0.00 0.00 58.31 55.90 2khq n LYS 95 Cb 0.55 -4.87 -0.03 0.00 -1.84 0.00 0.00 35.03 28.84 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 1.20 2.46 -3.53 7.82 0.00 -1.25 -4.87 120.51 122.34 2khq n ALA 96 Ca -0.11 0.40 -0.24 0.00 0.00 0.00 0.00 53.44 53.50 2khq n ALA 96 Cb 0.39 -2.47 -0.14 0.00 0.00 0.00 0.00 19.45 17.23 2khq n ALA 96 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2khq s GLU 97 N 0.73 0.16 -1.40 0.00 -6.30 -1.26 -5.04 118.70 105.59 2khq s GLU 97 Ca 0.73 -0.12 -0.15 0.00 -2.50 0.00 0.00 54.97 52.93 2khq s GLU 97 Cb -0.54 -1.35 0.04 0.00 0.00 0.00 0.00 34.13 32.28 2khq s GLU 97 CO 0.37 -0.80 2.12 1.28 0.02 0.00 0.00 175.26 178.25 2khq n LEU 98 N 5.29 6.35 -3.37 2.70 4.77 -1.26 -4.62 117.00 126.85 2khq n LEU 98 Ca -0.06 -4.04 -0.39 0.00 -0.03 0.00 0.00 56.01 51.49 2khq n LEU 98 Cb 0.47 -1.66 -0.03 0.00 -2.33 0.00 0.00 43.42 39.88 2khq n LEU 98 CO 0.07 0.84 3.26 1.57 -1.33 0.00 0.00 177.39 181.80 2khq n HIS 99 N 6.69 2.55 -2.84 -1.77 -0.00 -1.26 -4.85 115.22 113.74 2khq n HIS 99 Ca 0.51 -3.03 -0.43 0.00 0.46 0.00 0.00 57.72 55.23 2khq n HIS 99 Cb 0.41 -2.47 -0.02 0.00 -0.12 0.00 0.00 29.99 27.78 2khq n HIS 99 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2khq s ALA 100 N 2.39 3.27 -1.50 1.57 0.00 -1.26 -3.95 121.76 122.29 2khq s ALA 100 Ca 0.65 -2.71 -0.13 0.00 0.00 0.00 0.00 51.96 49.77 2khq s ALA 100 Cb 0.17 -4.18 0.01 0.00 0.00 0.00 0.00 23.12 19.12 2khq s ALA 100 CO -0.06 -3.12 2.41 0.45 0.00 0.00 0.00 175.76 175.44 2khq n SER 101 N 7.05 5.15 0.00 0.00 2.88 -1.24 -3.57 113.62 123.90 2khq n SER 101 Ca 0.28 -2.78 0.00 0.00 -1.33 0.00 0.00 58.87 55.04 2khq n SER 101 Cb 0.49 -1.63 0.00 0.00 -0.75 0.00 0.00 64.21 62.32 2khq n SER 101 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 2khq n VAL 102 N 4.68 0.00 -2.21 2.46 0.31 -1.26 -4.90 118.33 117.41 2khq n VAL 102 Ca 0.59 0.00 -0.16 0.00 -0.01 0.00 0.00 64.34 64.75 2khq n VAL 102 Cb 0.35 0.00 0.04 0.00 -0.91 0.00 0.00 33.84 33.31 2khq n VAL 102 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2khq n LEU 103 N -1.13 3.96 -4.61 7.52 4.77 -1.23 -5.03 117.00 121.25 2khq n LEU 103 Ca 0.00 -4.26 -0.43 0.00 -0.03 0.00 0.00 56.01 51.29 2khq n LEU 103 Cb 0.00 -0.15 -0.03 0.00 -2.33 0.00 0.00 43.42 40.91 2khq n LEU 103 CO 0.00 1.80 1.79 -0.62 -1.33 0.00 0.00 177.39 179.02 2khq n GLU 104 N -0.68 2.12 -3.92 3.23 4.71 -1.26 -4.94 120.64 119.90 2khq n GLU 104 Ca 0.33 0.64 -0.26 0.00 -0.01 0.00 0.00 57.16 57.87 2khq n GLU 104 Cb 0.92 -3.13 -0.17 0.00 -1.01 0.00 0.00 31.44 28.05 2khq n GLU 104 CO 0.00 0.00 0.00 -3.38 0.09 0.00 0.00 177.13 173.84 2khq s HIS 105 N 7.31 1.32 -0.14 -0.32 -3.43 -1.26 -5.12 115.29 113.65 2khq s HIS 105 Ca 0.99 -0.62 -0.07 0.00 -0.80 0.00 0.00 55.06 54.56 2khq s HIS 105 Cb -0.40 -1.14 -0.04 0.00 -1.43 0.00 0.00 32.58 29.58 2khq s HIS 105 CO 0.38 -0.46 0.10 -1.01 -2.00 0.00 0.00 174.74 171.75 2khq s HIS 106 N 1.69 3.43 0.05 0.38 3.76 -1.26 -5.10 115.29 118.25 2khq s HIS 106 Ca 0.04 0.36 -0.25 0.00 -0.15 0.00 0.00 55.06 55.06 2khq s HIS 106 Cb -0.13 -1.98 0.06 0.00 1.11 0.00 0.00 32.58 31.65 2khq s HIS 106 CO -0.07 0.52 0.59 -3.38 -0.85 0.00 0.00 174.74 171.54 2khq s HIS 107 N -0.52 -0.52 -0.03 1.40 -3.43 -1.26 -5.17 115.29 105.77 2khq s HIS 107 Ca 0.11 0.63 0.01 0.00 -0.80 0.00 0.00 55.06 55.01 2khq s HIS 107 Cb -0.12 0.42 0.01 0.00 -1.43 0.00 0.00 32.58 31.46 2khq s HIS 107 CO 0.02 -0.68 -0.05 -1.01 -2.00 0.00 0.00 174.74 171.02 2khq s HIS 108 N -2.40 0.63 -0.09 0.38 3.76 -1.26 -5.14 115.29 111.17 2khq s HIS 108 Ca -0.05 -0.15 0.01 0.00 -0.15 0.00 0.00 55.06 54.72 2khq s HIS 108 Cb -0.01 -0.53 0.02 0.00 1.11 0.00 0.00 32.58 33.18 2khq s HIS 108 CO -0.01 -0.12 -0.10 -1.01 -0.85 0.00 0.00 174.74 172.65 2khq s HIS 109 N 0.54 1.52 0.00 1.40 3.76 -1.26 -5.37 115.29 115.88 2khq s HIS 109 Ca -0.07 -0.67 0.00 0.00 -0.15 0.00 0.00 55.06 54.17 2khq s HIS 109 Cb -0.10 -1.18 0.00 0.00 1.11 0.00 0.00 32.58 32.41 2khq s HIS 109 CO -0.00 -0.40 0.44 1.58 -0.85 0.00 0.00 174.74 175.50