#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 0.79 0.22 3.17 2.07 -1.26 -5.01 121.20 121.17 2khq s ILE 2 Ca 0.00 -1.97 -0.30 0.00 -1.41 0.00 0.00 60.65 56.96 2khq s ILE 2 Cb 0.00 -1.83 -0.10 0.00 0.13 0.00 0.00 42.46 40.66 2khq s ILE 2 CO 0.00 -0.74 1.43 0.42 -1.91 0.00 0.00 174.94 174.13 2khq s THR 3 N -3.57 2.80 0.32 4.00 -4.23 -1.26 -0.52 115.64 113.18 2khq s THR 3 Ca 0.16 0.65 0.01 0.00 -1.18 0.00 0.00 61.69 61.33 2khq s THR 3 Cb 0.05 -3.42 0.21 0.00 1.34 0.00 0.00 72.50 70.68 2khq s THR 3 CO -0.01 0.09 1.92 0.15 -0.54 0.00 0.00 174.62 176.23 2khq h PHE 4 N 5.42 0.80 0.22 3.99 3.57 -0.80 0.15 116.94 130.29 2khq h PHE 4 Ca -0.45 -0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.02 2khq h PHE 4 Cb 1.21 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 39.69 2khq h PHE 4 CO 0.61 0.60 -0.16 0.00 -2.23 0.00 0.00 178.31 177.13 2khq h ALA 5 N 1.49 -0.37 -0.49 2.41 0.00 -1.81 0.21 119.26 120.70 2khq h ALA 5 Ca 0.20 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.93 2khq h ALA 5 Cb 0.10 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 2khq h ALA 5 CO -0.03 -0.72 -0.14 -0.44 0.00 0.00 0.00 179.25 177.92 2khq h ASP 6 N -0.39 0.93 -0.20 0.00 3.32 -1.85 -2.68 116.42 115.54 2khq h ASP 6 Ca -0.01 -0.31 0.00 0.00 0.02 0.00 0.00 57.03 56.73 2khq h ASP 6 Cb 0.34 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 2khq h ASP 6 CO -0.00 1.06 0.13 0.22 -1.72 0.00 0.00 179.24 178.93 2khq h TYR 7 N 0.82 0.24 -0.14 4.55 3.20 -0.47 0.06 116.97 125.23 2khq h TYR 7 Ca 0.13 0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.01 2khq h TYR 7 Cb 0.68 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.86 2khq h TYR 7 CO 0.04 0.15 0.06 0.35 -1.64 0.00 0.00 178.16 177.12 2khq h PHE 8 N 0.26 0.11 -0.45 -3.82 3.57 -0.45 0.23 116.94 116.39 2khq h PHE 8 Ca 0.07 0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.50 2khq h PHE 8 Cb -0.02 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.67 2khq h PHE 8 CO -0.07 0.06 -0.03 -0.92 -2.23 0.00 0.00 178.31 175.12 2khq h TYR 9 N 0.13 0.89 -0.31 0.41 3.20 -1.39 -1.12 116.97 118.79 2khq h TYR 9 Ca 0.06 -0.17 -0.01 0.00 3.14 0.00 0.00 58.73 61.75 2khq h TYR 9 Cb 0.02 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.05 2khq h TYR 9 CO -0.10 0.87 0.15 0.37 -1.64 0.00 0.00 178.16 177.82 2khq h GLN 10 N 0.65 0.44 -0.53 1.82 4.15 -0.73 0.17 115.11 121.09 2khq h GLN 10 Ca 0.12 -0.06 0.08 0.00 0.77 0.00 0.00 58.65 59.56 2khq h GLN 10 Cb 0.54 -0.08 -0.06 0.00 0.21 0.00 0.00 27.48 28.09 2khq h GLN 10 CO 0.03 0.41 0.19 2.35 -1.93 0.00 0.00 178.83 179.88 2khq h TRP 11 N 0.36 0.33 -0.08 3.99 7.01 -0.42 -1.06 115.95 126.08 2khq h TRP 11 Ca 0.11 0.03 0.00 0.00 2.11 0.00 0.00 58.89 61.13 2khq h TRP 11 Cb 0.11 -0.07 -0.00 0.00 -2.10 0.00 0.00 29.16 27.10 2khq h TRP 11 CO -0.02 0.09 0.06 -0.92 -2.79 0.00 0.00 178.44 174.86 2khq h TYR 12 N 0.36 0.10 0.00 2.65 3.20 -0.74 -0.21 116.97 122.34 2khq h TYR 12 Ca 0.26 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.13 2khq h TYR 12 Cb 0.30 -0.04 0.00 0.00 1.54 0.00 0.00 36.73 38.53 2khq h TYR 12 CO -0.17 0.07 0.00 -1.91 -1.64 0.00 0.00 178.16 174.51 2khq n GLU 13 N -5.03 0.01 -0.06 1.82 2.13 0.57 -0.15 120.64 119.94 2khq n GLU 13 Ca -0.05 0.26 -0.03 0.00 0.66 0.00 0.00 57.16 58.00 2khq n GLU 13 Cb 0.03 -1.52 -0.14 0.00 0.27 0.00 0.00 31.44 30.08 2khq n GLU 13 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 2khq n VAL 14 N -1.54 0.79 -0.05 6.31 0.31 -0.47 -4.52 118.33 119.16 2khq n VAL 14 Ca 0.03 -0.63 -0.06 0.00 -0.01 0.00 0.00 64.34 63.68 2khq n VAL 14 Cb 0.18 -0.34 -0.07 0.00 -0.91 0.00 0.00 33.84 32.70 2khq n VAL 14 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 2khq n ASN 15 N -2.47 2.85 -0.00 4.52 3.02 -0.12 -4.80 115.26 118.26 2khq n ASN 15 Ca -0.20 -0.02 0.01 0.00 -0.03 0.00 0.00 54.58 54.34 2khq n ASN 15 Cb 0.87 0.43 -0.02 0.00 -0.61 0.00 0.00 39.78 40.44 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 -2.51 1.05 -0.05 3.52 4.76 0.79 -4.79 118.16 120.93 2khq n LYS 16 Ca -0.17 -0.02 -0.14 0.00 -2.87 0.00 0.00 58.31 55.11 2khq n LYS 16 Cb 0.77 -1.07 -0.09 0.00 -1.84 0.00 0.00 35.03 32.80 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 -1.67 -2.37 -0.35 5.85 -1.56 0.02 115.31 115.22 2khq h LEU 17 Ca -0.02 0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.91 2khq h LEU 17 Cb 0.43 0.67 0.00 0.00 0.37 0.00 0.00 40.66 42.13 2khq h LEU 17 CO 0.00 -0.45 0.00 -0.81 -0.34 0.00 0.00 178.44 176.84 2khq n PRO 18 N -5.42 3.11 0.00 5.25 -0.05 -1.26 -4.25 135.00 132.38 2khq n PRO 18 Ca -0.05 -1.74 0.00 0.00 -0.05 0.00 0.00 63.50 61.67 2khq n PRO 18 Cb 0.37 -1.90 0.00 0.00 -0.05 0.00 0.00 33.50 31.92 2khq n PRO 18 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 175.50 176.17 2khq n HIS 19 N 0.36 -0.01 -1.98 0.54 8.25 -0.41 -5.08 115.22 116.89 2khq n HIS 19 Ca 0.15 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.32 2khq n HIS 19 Cb 0.76 0.04 0.04 0.00 1.12 0.00 0.00 29.99 31.95 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 -2.00 3.55 0.73 1.59 -7.23 -0.14 -5.05 120.40 111.84 2khq s VAL 20 Ca 0.00 0.40 -0.11 0.00 -1.81 0.00 0.00 61.98 60.46 2khq s VAL 20 Cb 0.00 -3.48 0.03 0.00 0.56 0.00 0.00 36.38 33.49 2khq s VAL 20 CO 0.00 -0.61 1.07 -0.94 -0.31 0.00 0.00 175.10 174.31 2khq s SER 21 N -4.35 4.98 0.48 4.85 1.04 -1.26 -4.87 113.70 114.57 2khq s SER 21 Ca 0.57 1.70 0.26 0.00 0.48 0.00 0.00 55.95 58.96 2khq s SER 21 Cb -0.11 -2.49 1.11 0.00 0.10 0.00 0.00 66.02 64.62 2khq s SER 21 CO 0.51 -1.71 1.90 -0.33 0.98 0.00 0.00 173.24 174.58 2khq h GLU 22 N -0.90 0.00 -0.61 4.02 5.08 -1.96 -0.24 114.58 119.96 2khq h GLU 22 Ca -0.44 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 57.91 2khq h GLU 22 Cb 1.22 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.44 2khq h GLU 22 CO 0.55 0.17 0.32 1.03 -1.00 0.00 0.00 179.01 180.07 2khq h SER 23 N 0.00 0.77 -0.33 1.42 0.87 -2.01 -2.10 113.55 112.18 2khq h SER 23 Ca -0.00 -0.10 -0.09 0.00 -1.23 0.00 0.00 61.79 60.36 2khq h SER 23 Cb 0.63 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 62.37 2khq h SER 23 CO 0.02 0.65 -0.11 0.74 -0.53 0.00 0.00 176.83 177.61 2khq h THR 24 N 0.82 1.25 -0.83 2.23 2.02 -1.56 -2.55 112.91 114.31 2khq h THR 24 Ca 0.21 -1.15 0.10 0.00 0.77 0.00 0.00 66.41 66.35 2khq h THR 24 Cb 0.07 1.04 -0.06 0.00 -1.74 0.00 0.00 68.15 67.46 2khq h THR 24 CO -0.03 0.39 0.54 0.11 0.37 0.00 0.00 175.52 176.90 2khq h LYS 25 N 0.68 0.74 -0.28 6.66 1.57 -0.67 -0.73 116.57 124.54 2khq h LYS 25 Ca 0.12 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.81 2khq h LYS 25 Cb 0.57 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.70 2khq h LYS 25 CO 0.04 0.49 -0.03 -0.09 -0.57 0.00 0.00 179.45 179.29 2khq h ARG 26 N 0.76 0.44 -0.31 3.15 9.65 -0.95 -0.09 114.38 127.02 2khq h ARG 26 Ca 0.39 -0.09 -0.13 0.00 -1.10 0.00 0.00 59.98 59.05 2khq h ARG 26 Cb 0.47 -0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 28.98 2khq h ARG 26 CO -0.16 0.49 -0.33 0.45 2.80 0.00 0.00 179.97 183.21 2khq h HIS 27 N 0.42 0.80 -0.53 2.20 3.86 -1.14 -2.02 115.15 118.75 2khq h HIS 27 Ca 0.09 -0.21 -0.09 0.00 -1.16 0.00 0.00 60.37 59.00 2khq h HIS 27 Cb 0.32 -0.18 -0.02 0.00 1.06 0.00 0.00 27.41 28.59 2khq h HIS 27 CO 0.01 0.93 -0.01 1.88 0.86 0.00 0.00 177.93 181.59 2khq h TYR 28 N 0.58 0.98 -0.05 2.45 0.05 -0.79 0.14 116.97 120.33 2khq h TYR 28 Ca 0.06 -0.16 0.02 0.00 0.05 0.00 0.00 58.73 58.71 2khq h TYR 28 Cb 0.85 -0.26 -0.02 0.00 1.01 0.00 0.00 36.73 38.31 2khq h TYR 28 CO 0.04 0.89 -0.08 0.93 -1.05 0.00 0.00 178.16 178.89 2khq h GLU 29 N 0.84 -0.11 -0.52 4.88 5.08 -0.81 0.29 114.58 124.22 2khq h GLU 29 Ca 0.15 0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.52 2khq h GLU 29 Cb 0.52 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.77 2khq h GLU 29 CO 0.03 -0.07 0.31 1.03 -1.00 0.00 0.00 179.01 179.30 2khq h SER 30 N -0.11 0.63 0.61 1.42 0.87 -1.09 -0.48 113.55 115.40 2khq h SER 30 Ca 0.05 -0.06 -0.03 0.00 -1.23 0.00 0.00 61.79 60.51 2khq h SER 30 Cb 0.18 -0.16 0.01 0.00 -0.44 0.00 0.00 62.40 61.99 2khq h SER 30 CO -0.12 0.51 -0.30 0.00 -0.53 0.00 0.00 176.83 176.39 2khq h ALA 31 N 1.15 -0.83 -0.75 6.23 0.00 -0.46 -2.39 119.26 122.20 2khq h ALA 31 Ca 0.19 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 54.94 2khq h ALA 31 Cb -0.00 0.33 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 2khq h ALA 31 CO -0.03 -0.97 0.48 -0.92 0.00 0.00 0.00 179.25 177.81 2khq h TYR 32 N -0.83 0.91 -0.16 0.00 3.20 -0.31 -0.22 116.97 119.55 2khq h TYR 32 Ca -0.08 0.02 -0.12 0.00 3.14 0.00 0.00 58.73 61.69 2khq h TYR 32 Cb 0.64 -0.30 -0.01 0.00 1.54 0.00 0.00 36.73 38.60 2khq h TYR 32 CO -0.04 0.54 -0.43 1.57 -1.64 0.00 0.00 178.16 178.16 2khq h LYS 33 N 0.96 0.39 -0.01 1.82 2.10 -1.05 0.56 116.57 121.35 2khq h LYS 33 Ca 0.29 -0.20 -0.22 0.00 -2.00 0.00 0.00 60.65 58.52 2khq h LYS 33 Cb -0.02 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.31 2khq h LYS 33 CO -0.10 0.76 -0.93 0.45 -2.00 0.00 0.00 179.45 177.63 2khq h HIS 34 N 0.32 0.62 0.10 0.07 3.86 -1.10 -1.14 115.15 117.88 2khq h HIS 34 Ca 0.03 -0.33 -0.00 0.00 -1.16 0.00 0.00 60.37 58.90 2khq h HIS 34 Cb 0.90 -0.07 0.00 0.00 1.06 0.00 0.00 27.41 29.29 2khq h HIS 34 CO 0.03 1.15 -0.05 0.82 0.86 0.00 0.00 177.93 180.74 2khq h ILE 35 N 0.24 0.98 0.00 2.45 2.04 -0.72 -2.16 117.51 120.33 2khq h ILE 35 Ca -0.08 -0.26 -0.07 0.00 1.00 0.00 0.00 64.86 65.45 2khq h ILE 35 Cb 1.56 1.14 -0.01 0.00 -0.74 0.00 0.00 36.82 38.78 2khq h ILE 35 CO 0.16 0.06 -0.32 0.07 0.00 0.00 0.00 178.15 178.13 2khq h LYS 36 N -0.25 0.00 -0.22 2.37 2.10 -0.95 0.39 116.57 120.01 2khq h LYS 36 Ca -0.01 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.64 2khq h LYS 36 Cb 0.21 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.53 2khq h LYS 36 CO 0.02 0.32 0.15 0.22 -2.00 0.00 0.00 179.45 178.16 2khq h ASP 37 N 0.00 0.26 0.00 7.07 3.58 -0.97 -2.94 116.42 123.42 2khq h ASP 37 Ca -0.00 -0.02 -0.10 0.00 0.42 0.00 0.00 57.03 57.33 2khq h ASP 37 Cb 0.70 -0.07 -0.01 0.00 1.72 0.00 0.00 39.33 41.67 2khq h ASP 37 CO 0.04 0.20 -0.57 0.45 -2.88 0.00 0.00 179.24 176.48 2khq h HIS 38 N 0.30 0.00 -1.29 0.28 3.86 -1.08 -3.38 115.15 113.84 2khq h HIS 38 Ca 0.08 0.00 -0.60 0.00 -1.16 0.00 0.00 60.37 58.70 2khq h HIS 38 Cb -0.02 0.00 -0.19 0.00 1.06 0.00 0.00 27.41 28.26 2khq h HIS 38 CO -0.06 1.09 0.85 1.19 0.86 0.00 0.00 177.93 181.87 2khq n PHE 39 N -4.54 2.03 -1.64 2.45 3.72 0.13 -4.95 117.46 114.66 2khq n PHE 39 Ca -0.19 -2.17 -0.42 0.00 -0.05 0.00 0.00 57.45 54.62 2khq n PHE 39 Cb 0.53 -1.41 -0.03 0.00 -0.94 0.00 0.00 39.48 37.62 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 -2.13 3.03 -1.68 -1.08 0.52 -1.11 -1.63 118.95 114.87 2khq s ARG 40 Ca 0.56 1.90 0.00 0.00 -0.52 0.00 0.00 55.73 57.67 2khq s ARG 40 Cb 0.35 -4.38 0.00 0.00 0.52 0.00 0.00 34.95 31.44 2khq s ARG 40 CO -0.23 -2.22 0.00 0.72 0.02 0.00 0.00 175.30 173.59 2khq n HIS 41 N 12.06 -0.44 -2.92 -0.53 8.25 -1.26 -4.97 115.22 125.41 2khq n HIS 41 Ca 0.30 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.35 2khq n HIS 41 Cb 0.46 -3.27 -0.04 0.00 1.12 0.00 0.00 29.99 28.26 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 -4.21 4.42 0.64 -0.41 2.47 -0.65 -4.94 119.74 117.06 2khq s LYS 42 Ca 0.00 1.04 -0.16 0.00 -1.56 0.00 0.00 55.97 55.29 2khq s LYS 42 Cb 0.00 -3.49 -0.01 0.00 -1.46 0.00 0.00 37.83 32.87 2khq s LYS 42 CO 0.00 -0.09 1.13 -0.51 0.16 0.00 0.00 175.35 176.05 2khq s LEU 43 N 1.28 3.48 0.22 5.43 1.43 -1.26 -0.20 118.68 129.05 2khq s LEU 43 Ca 0.41 2.12 -0.08 0.00 -1.03 0.00 0.00 54.13 55.54 2khq s LEU 43 Cb -0.18 -4.57 0.30 0.00 0.03 0.00 0.00 46.19 41.78 2khq s LEU 43 CO 0.18 -1.63 1.75 0.25 0.23 0.00 0.00 176.35 177.14 2khq h LEU 44 N 0.30 0.30 -0.06 1.79 5.85 -1.09 -0.86 115.31 121.54 2khq h LEU 44 Ca -0.48 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.32 2khq h LEU 44 Cb 1.26 0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.33 2khq h LEU 44 CO 0.54 0.17 -0.11 2.29 -0.34 0.00 0.00 178.44 180.99 2khq n LYS 45 N -4.96 0.25 -0.23 1.25 2.85 -1.26 -3.43 118.16 112.63 2khq n LYS 45 Ca 0.10 -0.06 0.12 0.00 -1.05 0.00 0.00 58.31 57.42 2khq n LYS 45 Cb 0.28 -1.50 0.25 0.00 -0.65 0.00 0.00 35.03 33.41 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 -1.32 3.54 -4.63 -5.58 2.03 -0.34 -4.88 116.55 105.37 2khq n ASP 46 Ca 0.10 -1.99 -0.43 0.00 0.52 0.00 0.00 54.79 52.99 2khq n ASP 46 Cb 0.30 -0.31 -0.03 0.00 -0.72 0.00 0.00 41.12 40.37 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 -1.38 3.62 -0.01 5.18 -1.09 -1.14 -4.85 121.20 121.54 2khq s ILE 47 Ca 0.41 0.70 -0.30 0.00 -2.23 0.00 0.00 60.65 59.23 2khq s ILE 47 Cb 0.23 -3.64 -0.05 0.00 -1.58 0.00 0.00 42.46 37.43 2khq s ILE 47 CO 0.32 -0.27 1.27 -0.75 -1.23 0.00 0.00 174.94 174.28 2khq s LYS 48 N 4.76 4.35 0.42 2.79 2.47 -1.26 -4.82 119.74 128.45 2khq s LYS 48 Ca 0.74 1.79 0.11 0.00 -1.56 0.00 0.00 55.97 57.05 2khq s LYS 48 Cb -0.26 -3.50 0.89 0.00 -1.46 0.00 0.00 37.83 33.49 2khq s LYS 48 CO 0.30 -0.44 1.97 0.07 0.16 0.00 0.00 175.35 177.41 2khq h ARG 49 N 7.40 0.20 -0.32 4.03 0.11 -1.93 0.22 114.38 124.09 2khq h ARG 49 Ca -0.37 -0.04 -0.17 0.00 0.10 0.00 0.00 59.98 59.50 2khq h ARG 49 Cb 1.18 -0.03 -0.00 0.00 1.11 0.00 0.00 29.97 32.22 2khq h ARG 49 CO 0.87 0.30 -0.46 1.79 0.10 0.00 0.00 179.97 182.57 2khq h THR 50 N 0.20 1.28 -0.68 0.08 1.35 -1.91 -1.02 112.91 112.21 2khq h THR 50 Ca 0.04 -1.64 -0.07 0.00 -0.55 0.00 0.00 66.41 64.20 2khq h THR 50 Cb 0.27 1.55 -0.03 0.00 -1.73 0.00 0.00 68.15 68.21 2khq h THR 50 CO 0.01 0.54 0.15 -0.08 -0.25 0.00 0.00 175.52 175.89 2khq h GLU 51 N 0.67 1.09 -0.46 4.72 4.57 -1.63 0.18 114.58 123.71 2khq h GLU 51 Ca 0.03 -0.26 -0.05 0.00 -1.18 0.00 0.00 59.36 57.90 2khq h GLU 51 Cb 1.06 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 29.49 2khq h GLU 51 CO 0.11 0.97 0.11 -0.92 -1.18 0.00 0.00 179.01 178.10 2khq h TYR 52 N 1.03 0.78 -0.24 0.92 3.20 -0.53 0.31 116.97 122.44 2khq h TYR 52 Ca 0.21 -0.09 -0.03 0.00 3.14 0.00 0.00 58.73 61.96 2khq h TYR 52 Cb 0.38 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.42 2khq h TYR 52 CO 0.03 0.72 0.03 0.37 -1.64 0.00 0.00 178.16 177.67 2khq h GLN 53 N 0.63 0.40 -0.99 1.82 4.15 -0.92 -2.11 115.11 118.09 2khq h GLN 53 Ca 0.15 -0.11 0.07 0.00 0.77 0.00 0.00 58.65 59.53 2khq h GLN 53 Cb 0.33 -0.05 -0.07 0.00 0.21 0.00 0.00 27.48 27.90 2khq h GLN 53 CO 0.00 0.54 0.64 0.87 -1.93 0.00 0.00 178.83 178.95 2khq h LYS 54 N 0.21 1.11 -0.37 1.69 6.56 -0.50 0.13 116.57 125.40 2khq h LYS 54 Ca 0.07 -0.07 0.06 0.00 -1.06 0.00 0.00 60.65 59.65 2khq h LYS 54 Cb 0.34 -0.25 -0.05 0.00 -0.57 0.00 0.00 32.23 31.70 2khq h LYS 54 CO 0.01 0.73 0.06 0.35 -2.06 0.00 0.00 179.45 178.54 2khq h PHE 55 N 1.14 0.10 -0.38 -1.35 3.57 -0.06 0.13 116.94 120.10 2khq h PHE 55 Ca 0.44 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.91 2khq h PHE 55 Cb 0.20 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.94 2khq h PHE 55 CO -0.00 0.00 0.05 -0.07 -2.23 0.00 0.00 178.31 176.06 2khq h LEU 56 N 0.18 0.61 -0.78 0.59 3.38 -0.65 0.31 115.31 118.96 2khq h LEU 56 Ca 0.18 -0.27 0.04 0.00 0.09 0.00 0.00 57.88 57.93 2khq h LEU 56 Cb 0.22 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 40.75 2khq h LEU 56 CO -0.25 0.73 0.48 0.78 0.09 0.00 0.00 178.44 180.27 2khq h ASN 57 N 0.48 0.77 -0.20 -0.43 -0.26 -0.32 -1.23 115.58 114.40 2khq h ASN 57 Ca 0.11 0.01 -0.14 0.00 -0.56 0.00 0.00 56.30 55.72 2khq h ASN 57 Cb 0.38 -0.16 0.00 0.00 -1.06 0.00 0.00 38.32 37.49 2khq h ASN 57 CO 0.01 0.52 -0.43 -0.08 -1.06 0.00 0.00 177.43 176.39 2khq h GLU 58 N 0.91 0.63 -1.00 0.81 4.57 -0.61 -3.22 114.58 116.67 2khq h GLU 58 Ca 0.33 -0.42 0.03 0.00 -1.18 0.00 0.00 59.36 58.12 2khq h GLU 58 Cb 0.09 0.06 -0.06 0.00 -0.16 0.00 0.00 28.75 28.68 2khq h GLU 58 CO -0.14 1.04 0.66 -0.92 -1.18 0.00 0.00 179.01 178.47 2khq h TYR 59 N 0.32 1.24 -0.03 0.92 3.20 -0.47 -0.93 116.97 121.22 2khq h TYR 59 Ca 0.00 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.90 2khq h TYR 59 Cb 1.03 -0.41 0.00 0.00 1.54 0.00 0.00 36.73 38.89 2khq h TYR 59 CO 0.09 0.73 0.00 0.41 -1.64 0.00 0.00 178.16 177.75 2khq n GLY 60 N -1.38 -0.79 0.08 1.82 0.00 -0.51 -2.00 105.19 102.42 2khq n GLY 60 Ca 0.13 -0.16 0.12 0.00 0.00 0.00 0.00 46.02 46.12 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 -0.59 0.72 0.00 0.99 4.77 -0.35 -1.27 117.00 121.27 2khq n LEU 61 Ca 0.13 -0.13 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2khq n LEU 61 Cb 0.10 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.00 2khq n LEU 61 CO 0.10 0.16 0.19 0.35 -1.33 0.00 0.00 177.39 176.86 2khq n THR 62 N -1.23 0.12 -4.07 -5.08 -2.24 -1.05 -4.75 114.28 95.98 2khq n THR 62 Ca 0.07 -0.16 -0.09 0.00 -2.27 0.00 0.00 64.05 61.60 2khq n THR 62 Cb 0.34 1.29 -0.10 0.00 -2.10 0.00 0.00 70.33 69.76 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 -0.12 0.52 0.72 4.78 3.76 -0.85 -5.09 115.29 119.01 2khq s HIS 63 Ca 0.00 -0.84 -0.13 0.00 -0.15 0.00 0.00 55.06 53.94 2khq s HIS 63 Cb 0.00 -0.35 0.03 0.00 1.11 0.00 0.00 32.58 33.37 2khq s HIS 63 CO 0.00 -0.26 1.10 0.45 -0.85 0.00 0.00 174.74 175.18 2khq s SER 64 N -2.40 4.74 0.29 1.40 0.15 -1.26 -4.54 113.70 112.07 2khq s SER 64 Ca -0.00 1.92 -0.02 0.00 0.70 0.00 0.00 55.95 58.54 2khq s SER 64 Cb 0.01 -2.54 0.42 0.00 -1.71 0.00 0.00 66.02 62.20 2khq s SER 64 CO -0.06 -1.88 1.96 0.22 1.20 0.00 0.00 173.24 174.68 2khq h TYR 65 N -0.60 1.08 -0.41 3.44 3.20 -1.92 -1.46 116.97 120.29 2khq h TYR 65 Ca -0.45 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 61.39 2khq h TYR 65 Cb 1.24 -0.36 -0.02 0.00 1.54 0.00 0.00 36.73 39.13 2khq h TYR 65 CO 0.56 0.67 0.01 1.49 -1.64 0.00 0.00 178.16 179.25 2khq h GLU 66 N 1.15 0.65 -0.16 1.82 4.81 -1.99 0.45 114.58 121.32 2khq h GLU 66 Ca 0.32 -0.15 -0.09 0.00 -0.13 0.00 0.00 59.36 59.31 2khq h GLU 66 Cb -0.11 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.18 2khq h GLU 66 CO -0.07 0.67 -0.24 1.15 -0.73 0.00 0.00 179.01 179.78 2khq h THR 67 N 0.62 1.35 -0.20 0.32 2.02 -1.67 -0.93 112.91 114.42 2khq h THR 67 Ca 0.13 -1.46 -0.13 0.00 0.77 0.00 0.00 66.41 65.72 2khq h THR 67 Cb 0.38 1.92 -0.01 0.00 -1.74 0.00 0.00 68.15 68.69 2khq h THR 67 CO 0.01 0.44 -0.41 -0.29 0.37 0.00 0.00 175.52 175.64 2khq h ILE 68 N 0.08 1.30 -0.39 3.11 2.10 -1.10 0.36 117.51 122.97 2khq h ILE 68 Ca 0.02 -1.56 -0.04 0.00 1.08 0.00 0.00 64.86 64.36 2khq h ILE 68 Cb 0.81 1.59 -0.02 0.00 -1.09 0.00 0.00 36.82 38.11 2khq h ILE 68 CO 0.06 0.48 0.10 -0.09 -1.08 0.00 0.00 178.15 177.62 2khq h ARG 69 N 0.39 0.62 -0.45 2.19 2.43 -0.89 0.12 114.38 118.79 2khq h ARG 69 Ca 0.03 -0.15 -0.01 0.00 -0.81 0.00 0.00 59.98 59.05 2khq h ARG 69 Cb 0.88 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.33 2khq h ARG 69 CO 0.07 0.64 0.24 -0.22 -1.51 0.00 0.00 179.97 179.20 2khq h LYS 70 N 0.48 0.63 0.13 0.20 3.64 -0.90 0.11 116.57 120.87 2khq h LYS 70 Ca 0.12 -0.08 0.02 0.00 -1.27 0.00 0.00 60.65 59.44 2khq h LYS 70 Cb 0.30 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 31.96 2khq h LYS 70 CO 0.00 0.51 -0.35 1.25 -2.27 0.00 0.00 179.45 178.59 2khq h LEU 71 N 0.59 -1.01 -0.74 5.20 5.85 -0.77 -2.25 115.31 122.16 2khq h LEU 71 Ca 0.16 0.11 0.15 0.00 0.84 0.00 0.00 57.88 59.14 2khq h LEU 71 Cb 0.07 0.38 -0.10 0.00 0.37 0.00 0.00 40.66 41.38 2khq h LEU 71 CO -0.02 -0.44 0.27 -1.13 -0.34 0.00 0.00 178.44 176.78 2khq h ASN 72 N -0.59 0.21 -0.88 1.25 -0.73 -0.42 -1.30 115.58 113.13 2khq h ASN 72 Ca 0.03 0.12 0.02 0.00 1.87 0.00 0.00 56.30 58.33 2khq h ASN 72 Cb 0.61 0.11 -0.05 0.00 0.27 0.00 0.00 38.32 39.27 2khq h ASN 72 CO -0.20 0.07 0.58 0.28 -0.37 0.00 0.00 177.43 177.79 2khq h SER 73 N 0.40 0.99 0.39 1.15 0.02 -0.65 0.56 113.55 116.41 2khq h SER 73 Ca 0.41 -0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 61.32 2khq h SER 73 Cb 0.64 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 62.95 2khq h SER 73 CO -0.43 0.70 -0.19 1.88 -1.14 0.00 0.00 176.83 177.66 2khq h TYR 74 N 1.16 -0.48 -0.76 3.45 0.05 -0.67 -1.61 116.97 118.11 2khq h TYR 74 Ca 0.34 -0.01 -0.06 0.00 0.05 0.00 0.00 58.73 59.05 2khq h TYR 74 Cb -0.08 0.16 -0.03 0.00 1.01 0.00 0.00 36.73 37.78 2khq h TYR 74 CO -0.01 -0.22 0.26 0.82 -1.05 0.00 0.00 178.16 177.96 2khq h ILE 75 N -0.66 1.26 -0.66 -2.88 2.04 -1.18 0.20 117.51 115.63 2khq h ILE 75 Ca -0.05 -0.89 0.01 0.00 1.00 0.00 0.00 64.86 64.93 2khq h ILE 75 Cb 0.48 0.40 -0.04 0.00 -0.74 0.00 0.00 36.82 36.92 2khq h ILE 75 CO 0.09 0.35 0.43 -0.09 0.00 0.00 0.00 178.15 178.93 2khq h ARG 76 N 1.13 0.84 -0.20 2.37 2.43 -0.87 -0.09 114.38 119.98 2khq h ARG 76 Ca 0.25 -0.05 -0.10 0.00 -0.81 0.00 0.00 59.98 59.27 2khq h ARG 76 Cb 0.28 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.63 2khq h ARG 76 CO -0.01 0.56 -0.31 -0.91 -1.51 0.00 0.00 179.97 177.78 2khq h ASN 77 N 0.87 0.41 -0.18 -3.80 -0.26 -0.60 0.16 115.58 112.17 2khq h ASN 77 Ca 0.25 -0.15 -0.05 0.00 -0.56 0.00 0.00 56.30 55.79 2khq h ASN 77 Cb -0.06 -0.11 -0.01 0.00 -1.06 0.00 0.00 38.32 37.08 2khq h ASN 77 CO -0.07 0.71 -0.06 0.00 -1.06 0.00 0.00 177.43 176.95 2khq h ALA 78 N 1.32 0.25 -0.39 -0.83 0.00 -0.36 -1.95 119.26 117.31 2khq h ALA 78 Ca 0.05 -0.26 -0.12 0.00 0.00 0.00 0.00 54.91 54.58 2khq h ALA 78 Cb 0.73 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 2khq h ALA 78 CO 0.06 0.05 -0.23 0.74 0.00 0.00 0.00 179.25 179.87 2khq h PHE 79 N 0.07 0.88 -0.83 0.00 0.04 -0.95 -2.32 116.94 113.82 2khq h PHE 79 Ca 0.04 -0.20 0.01 0.00 2.80 0.00 0.00 57.97 60.62 2khq h PHE 79 Cb 0.53 -0.21 -0.04 0.00 2.20 0.00 0.00 35.95 38.43 2khq h PHE 79 CO 0.06 0.93 0.55 0.22 -0.60 0.00 0.00 178.31 179.47 2khq h ASP 80 N 0.67 0.96 -0.44 2.17 3.58 -0.87 0.15 116.42 122.64 2khq h ASP 80 Ca 0.09 -0.02 -0.13 0.00 0.42 0.00 0.00 57.03 57.39 2khq h ASP 80 Cb 0.74 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 41.54 2khq h ASP 80 CO 0.06 0.69 -0.23 -0.78 -2.88 0.00 0.00 179.24 176.09 2khq h ASP 81 N 1.13 0.97 -0.54 2.28 1.82 -1.19 -0.83 116.42 120.06 2khq h ASP 81 Ca 0.31 -0.41 -0.03 0.00 -0.39 0.00 0.00 57.03 56.51 2khq h ASP 81 Cb -0.13 -0.27 -0.02 0.00 0.68 0.00 0.00 39.33 39.59 2khq h ASP 81 CO -0.07 1.16 0.22 0.00 -1.61 0.00 0.00 179.24 178.95 2khq h ALA 82 N 0.83 0.70 -0.05 -0.78 0.00 -0.71 -0.17 119.26 119.08 2khq h ALA 82 Ca 0.09 -0.15 -0.16 0.00 0.00 0.00 0.00 54.91 54.69 2khq h ALA 82 Cb 0.81 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 2khq h ALA 82 CO 0.07 0.30 -0.68 0.97 0.00 0.00 0.00 179.25 179.91 2khq h ILE 83 N 0.73 1.42 -0.00 0.00 2.10 -0.72 0.11 117.51 121.15 2khq h ILE 83 Ca 0.18 -2.16 -0.04 0.00 1.08 0.00 0.00 64.86 63.92 2khq h ILE 83 Cb 0.18 2.13 -0.01 0.00 -1.09 0.00 0.00 36.82 38.04 2khq h ILE 83 CO -0.02 0.64 -0.19 0.45 -1.08 0.00 0.00 178.15 177.94 2khq h HIS 84 N 0.16 0.00 0.00 2.19 3.86 -0.80 -1.87 115.15 118.68 2khq h HIS 84 Ca -0.02 -0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 59.09 2khq h HIS 84 Cb 1.22 -0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.68 2khq h HIS 84 CO 0.02 0.20 -0.52 1.49 0.86 0.00 0.00 177.93 179.98 2khq h GLU 85 N 0.00 0.00 -0.06 2.45 4.57 -0.51 -3.47 114.58 117.56 2khq h GLU 85 Ca -0.00 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 2khq h GLU 85 Cb 0.35 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.93 2khq h GLU 85 CO 0.03 0.44 -0.01 0.41 -1.18 0.00 0.00 179.01 178.69 2khq n GLY 86 N 1.22 0.38 0.93 1.92 0.00 -0.44 -4.95 105.19 104.25 2khq n GLY 86 Ca 0.01 -0.95 0.12 0.00 0.00 0.00 0.00 46.02 45.21 2khq n GLY 86 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2khq n TYR 87 N -3.61 0.01 -3.87 1.61 9.36 0.26 -4.97 117.16 115.95 2khq n TYR 87 Ca -0.01 -0.00 -0.11 0.00 3.32 0.00 0.00 57.90 61.10 2khq n TYR 87 Cb 0.32 0.00 0.01 0.00 -0.63 0.00 0.00 39.34 39.04 2khq n TYR 87 CO 0.00 0.00 0.00 1.55 0.22 0.00 0.00 176.86 178.63 2khq n VAL 88 N 1.26 0.00 -0.50 2.97 3.14 -1.23 -4.88 118.33 119.10 2khq n VAL 88 Ca 0.14 -1.25 0.00 0.00 -2.96 0.00 0.00 64.34 60.28 2khq n VAL 88 Cb 0.58 1.01 0.00 0.00 -1.06 0.00 0.00 33.84 34.38 2khq n VAL 88 CO 0.00 0.00 0.00 2.30 -6.46 0.00 0.00 176.83 172.67 2khq n ILE 89 N -0.54 0.00 -0.61 1.55 -5.35 -1.26 -4.74 119.36 108.40 2khq n ILE 89 Ca -0.06 0.00 -0.05 0.00 -0.27 0.00 0.00 62.75 62.37 2khq n ILE 89 Cb 0.58 -1.20 0.01 0.00 -1.74 0.00 0.00 39.64 37.30 2khq n ILE 89 CO 0.00 0.00 0.00 2.29 -1.76 0.00 0.00 176.55 177.08 2khq n LYS 90 N -1.17 1.26 -0.95 6.28 2.85 -1.26 -4.65 118.16 120.52 2khq n LYS 90 Ca 0.00 -0.51 0.00 0.00 -1.05 0.00 0.00 58.31 56.75 2khq n LYS 90 Cb 0.00 -1.20 0.00 0.00 -0.65 0.00 0.00 35.03 33.18 2khq n LYS 90 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 2khq n ASN 91 N 1.11 -5.78 0.00 -5.58 3.02 -1.26 -4.81 115.26 101.96 2khq n ASN 91 Ca 0.10 0.70 0.15 0.00 -0.03 0.00 0.00 54.58 55.49 2khq n ASN 91 Cb 0.53 -2.14 0.79 0.00 -0.61 0.00 0.00 39.78 38.35 2khq n ASN 91 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99 2khq n PRO 92 N -0.09 0.53 -0.22 3.52 -0.02 -1.26 -4.05 135.00 133.40 2khq n PRO 92 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 2khq n PRO 92 Cb 0.00 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 31.98 2khq n PRO 92 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 2khq n THR 93 N -1.23 1.40 0.15 3.45 -1.04 -1.26 -4.33 114.28 111.42 2khq n THR 93 Ca 0.16 -0.22 -0.07 0.00 -2.04 0.00 0.00 64.05 61.88 2khq n THR 93 Cb 0.22 -1.21 -0.03 0.00 -1.82 0.00 0.00 70.33 67.48 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 0.57 -0.41 -1.15 -1.42 3.20 -1.90 -3.35 116.97 112.51 2khq h TYR 94 Ca 0.00 -0.01 -0.64 0.00 3.14 0.00 0.00 58.73 61.22 2khq h TYR 94 Cb 0.96 0.14 -0.35 0.00 1.54 0.00 0.00 36.73 39.02 2khq h TYR 94 CO 0.11 -0.26 0.16 0.36 -1.64 0.00 0.00 178.16 176.90 2khq n LYS 95 N -4.41 3.09 -2.47 1.82 2.85 -1.26 -4.96 118.16 112.81 2khq n LYS 95 Ca -0.06 -3.76 -0.40 0.00 -1.05 0.00 0.00 58.31 53.04 2khq n LYS 95 Cb 0.18 -2.28 -0.03 0.00 -0.65 0.00 0.00 35.03 32.25 2khq n LYS 95 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2khq s ALA 96 N -3.76 2.63 0.05 0.58 0.00 -1.26 -4.90 121.76 115.10 2khq s ALA 96 Ca 0.56 -1.50 -0.00 0.00 0.00 0.00 0.00 51.96 51.01 2khq s ALA 96 Cb 0.45 -4.34 -0.04 0.00 0.00 0.00 0.00 23.12 19.19 2khq s ALA 96 CO -0.08 -3.50 0.20 -1.21 0.00 0.00 0.00 175.76 171.17 2khq s GLU 97 N 5.76 3.43 -0.62 0.00 2.02 -1.26 -5.05 118.70 122.98 2khq s GLU 97 Ca 0.43 -0.42 -0.23 0.00 0.02 0.00 0.00 54.97 54.77 2khq s GLU 97 Cb -0.07 -3.04 0.06 0.00 0.10 0.00 0.00 34.13 31.18 2khq s GLU 97 CO 0.09 0.62 0.92 -0.51 0.02 0.00 0.00 175.26 176.41 2khq s LEU 98 N -2.40 4.38 -0.62 1.80 1.43 -1.26 -4.62 118.68 117.39 2khq s LEU 98 Ca 0.33 -0.82 -0.13 0.00 -1.03 0.00 0.00 54.13 52.48 2khq s LEU 98 Cb -0.13 -2.53 0.16 0.00 0.03 0.00 0.00 46.19 43.72 2khq s LEU 98 CO 0.26 -1.33 0.55 -2.28 0.23 0.00 0.00 176.35 173.78 2khq s HIS 99 N 3.88 3.45 -0.27 0.29 2.46 -1.26 -5.02 115.29 118.82 2khq s HIS 99 Ca 0.23 -1.70 0.03 0.00 0.47 0.00 0.00 55.06 54.10 2khq s HIS 99 Cb -0.16 -3.72 0.07 0.00 -0.13 0.00 0.00 32.58 28.64 2khq s HIS 99 CO 0.13 -1.00 -0.07 0.00 -2.47 0.00 0.00 174.74 171.33 2khq s ALA 100 N 1.02 2.52 -1.24 1.58 0.00 -1.26 -3.47 121.76 120.92 2khq s ALA 100 Ca 0.09 -1.84 0.16 0.00 0.00 0.00 0.00 51.96 50.37 2khq s ALA 100 Cb -0.23 -1.63 0.48 0.00 0.00 0.00 0.00 23.12 21.74 2khq s ALA 100 CO -0.02 -1.29 1.40 0.43 0.00 0.00 0.00 175.76 176.29 2khq n SER 101 N 4.44 3.55 -4.50 0.00 7.64 -0.40 -4.90 113.62 119.44 2khq n SER 101 Ca -0.10 -2.12 -0.42 0.00 1.01 0.00 0.00 58.87 57.23 2khq n SER 101 Cb 0.42 -0.38 -0.03 0.00 -1.01 0.00 0.00 64.21 63.21 2khq n SER 101 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2khq s VAL 102 N -1.22 4.04 -0.07 0.44 1.01 -1.23 -4.97 120.40 118.41 2khq s VAL 102 Ca 0.36 -0.09 0.01 0.00 0.00 0.00 0.00 61.98 62.26 2khq s VAL 102 Cb 0.20 -4.82 0.02 0.00 0.00 0.00 0.00 36.38 31.78 2khq s VAL 102 CO 0.22 -1.68 -0.08 -0.76 0.00 0.00 0.00 175.10 172.80 2khq s LEU 103 N 4.83 1.40 -0.11 3.92 1.02 -1.26 -4.81 118.68 123.66 2khq s LEU 103 Ca 0.30 -0.23 -0.28 0.00 0.02 0.00 0.00 54.13 53.94 2khq s LEU 103 Cb -0.11 -0.69 -0.26 0.00 0.02 0.00 0.00 46.19 45.16 2khq s LEU 103 CO 0.10 -0.04 0.86 -0.08 0.02 0.00 0.00 176.35 177.21 2khq h GLU 104 N 7.33 0.04 -5.64 1.70 4.57 -2.05 -3.45 114.58 117.09 2khq h GLU 104 Ca -0.32 -0.06 -0.65 0.00 -1.18 0.00 0.00 59.36 57.14 2khq h GLU 104 Cb 1.16 0.02 -0.18 0.00 -0.16 0.00 0.00 28.75 29.60 2khq h GLU 104 CO 0.45 0.96 -0.63 -3.38 -1.18 0.00 0.00 179.01 175.22 2khq s HIS 105 N -2.53 3.11 0.05 0.92 -3.43 -1.26 -5.00 115.29 107.15 2khq s HIS 105 Ca -0.18 -0.01 0.00 0.00 -0.80 0.00 0.00 55.06 54.07 2khq s HIS 105 Cb -0.02 -1.89 0.00 0.00 -1.43 0.00 0.00 32.58 29.24 2khq s HIS 105 CO 0.70 0.23 0.00 0.72 -2.00 0.00 0.00 174.74 174.40 2khq n HIS 106 N 2.85 -0.00 -4.80 0.38 8.25 -1.26 -5.08 115.22 115.56 2khq n HIS 106 Ca -0.18 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.00 2khq n HIS 106 Cb 0.53 0.00 -0.14 0.00 1.12 0.00 0.00 29.99 31.50 2khq n HIS 106 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2khq s HIS 107 N -1.45 2.07 -0.23 4.41 3.76 -1.26 -5.05 115.29 117.54 2khq s HIS 107 Ca 0.00 -0.39 -0.14 0.00 -0.15 0.00 0.00 55.06 54.38 2khq s HIS 107 Cb 0.00 -1.24 -0.17 0.00 1.11 0.00 0.00 32.58 32.27 2khq s HIS 107 CO 0.00 0.10 -0.01 1.58 -0.85 0.00 0.00 174.74 175.56 2khq n HIS 108 N 1.85 0.59 -3.57 1.40 -0.00 -1.26 -5.07 115.22 109.16 2khq n HIS 108 Ca -0.17 0.21 -0.05 0.00 0.46 0.00 0.00 57.72 58.18 2khq n HIS 108 Cb 0.53 -1.06 -0.00 0.00 -0.12 0.00 0.00 29.99 29.33 2khq n HIS 108 CO 0.00 0.00 0.00 -2.39 0.46 0.00 0.00 176.34 174.41 2khq n HIS 109 N -4.10 -1.09 -0.83 1.57 1.44 -1.26 -5.30 115.22 105.65 2khq n HIS 109 Ca -0.42 -0.81 0.00 0.00 -2.01 0.00 0.00 57.72 54.49 2khq n HIS 109 Cb 0.84 0.26 0.00 0.00 0.12 0.00 0.00 29.99 31.21 2khq n HIS 109 CO 0.00 0.00 0.00 -2.39 -2.81 0.00 0.00 176.34 171.14