#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 0.12 0.46 2.02 2.07 -1.26 -5.09 121.20 119.51 2khq s ILE 2 Ca 0.00 -1.00 -0.23 0.00 -1.41 0.00 0.00 60.65 58.02 2khq s ILE 2 Cb 0.00 -1.25 -0.08 0.00 0.13 0.00 0.00 42.46 41.27 2khq s ILE 2 CO 0.00 -0.55 1.14 0.42 -1.91 0.00 0.00 174.94 174.04 2khq s THR 3 N -3.68 3.22 0.22 4.00 -4.23 -1.26 -2.14 115.64 111.77 2khq s THR 3 Ca 0.03 0.90 -0.07 0.00 -1.18 0.00 0.00 61.69 61.37 2khq s THR 3 Cb 0.03 -3.45 0.16 0.00 1.34 0.00 0.00 72.50 70.58 2khq s THR 3 CO -0.10 -0.02 1.79 0.15 -0.54 0.00 0.00 174.62 175.89 2khq h PHE 4 N 2.06 1.19 0.02 3.99 3.57 -1.09 0.32 116.94 126.99 2khq h PHE 4 Ca -0.49 -0.09 -0.00 0.00 3.53 0.00 0.00 57.97 60.92 2khq h PHE 4 Cb 1.24 -0.35 0.00 0.00 2.79 0.00 0.00 35.95 39.63 2khq h PHE 4 CO 0.54 0.90 -0.01 0.00 -2.23 0.00 0.00 178.31 177.51 2khq h ALA 5 N 1.19 -0.03 -0.15 2.41 0.00 -1.79 0.20 119.26 121.09 2khq h ALA 5 Ca 0.26 -0.02 -0.17 0.00 0.00 0.00 0.00 54.91 54.98 2khq h ALA 5 Cb 0.23 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 2khq h ALA 5 CO -0.02 -0.51 -0.61 0.22 0.00 0.00 0.00 179.25 178.33 2khq h ASP 6 N -0.06 0.61 -0.42 0.00 3.58 -1.90 -2.71 116.42 115.52 2khq h ASP 6 Ca -0.00 -0.35 -0.04 0.00 0.42 0.00 0.00 57.03 57.06 2khq h ASP 6 Cb 0.05 -0.18 -0.02 0.00 1.72 0.00 0.00 39.33 40.91 2khq h ASP 6 CO 0.01 1.07 0.11 0.22 -2.88 0.00 0.00 179.24 177.77 2khq h TYR 7 N 0.40 0.70 -0.38 0.28 3.20 -0.76 -0.32 116.97 120.09 2khq h TYR 7 Ca -0.01 -0.08 0.00 0.00 3.14 0.00 0.00 58.73 61.79 2khq h TYR 7 Cb 1.17 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 39.22 2khq h TYR 7 CO 0.05 0.66 0.25 0.35 -1.64 0.00 0.00 178.16 177.82 2khq h PHE 8 N 0.55 0.47 -0.23 -3.82 3.57 -0.52 0.50 116.94 117.46 2khq h PHE 8 Ca 0.13 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.61 2khq h PHE 8 Cb 0.30 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 38.87 2khq h PHE 8 CO 0.02 0.30 -0.00 -0.92 -2.23 0.00 0.00 178.31 175.47 2khq h TYR 9 N 0.51 0.44 -0.38 0.41 5.03 -1.38 0.04 116.97 121.63 2khq h TYR 9 Ca 0.14 -0.08 0.01 0.00 2.58 0.00 0.00 58.73 61.38 2khq h TYR 9 Cb -0.06 -0.11 -0.02 0.00 1.55 0.00 0.00 36.73 38.09 2khq h TYR 9 CO -0.05 0.58 0.24 0.37 -1.32 0.00 0.00 178.16 177.98 2khq h GLN 10 N 0.17 0.48 -0.04 1.82 4.15 -0.81 0.81 115.11 121.68 2khq h GLN 10 Ca 0.06 -0.03 0.03 0.00 0.77 0.00 0.00 58.65 59.48 2khq h GLN 10 Cb 0.41 -0.11 -0.03 0.00 0.21 0.00 0.00 27.48 27.96 2khq h GLN 10 CO 0.01 0.32 -0.12 2.35 -1.93 0.00 0.00 178.83 179.46 2khq h TRP 11 N 0.49 -0.31 -0.64 3.99 7.01 0.14 -2.07 115.95 124.57 2khq h TRP 11 Ca 0.15 0.01 0.02 0.00 2.11 0.00 0.00 58.89 61.18 2khq h TRP 11 Cb -0.03 0.14 -0.04 0.00 -2.10 0.00 0.00 29.16 27.14 2khq h TRP 11 CO -0.06 -0.18 0.41 -0.92 -2.79 0.00 0.00 178.44 174.90 2khq h TYR 12 N -0.19 0.78 -0.70 2.65 3.20 -0.69 0.11 116.97 122.12 2khq h TYR 12 Ca 0.06 0.02 0.02 0.00 3.14 0.00 0.00 58.73 61.96 2khq h TYR 12 Cb 0.26 -0.26 -0.04 0.00 1.54 0.00 0.00 36.73 38.24 2khq h TYR 12 CO -0.20 0.47 0.47 1.49 -1.64 0.00 0.00 178.16 178.75 2khq h GLU 13 N 0.83 0.89 0.00 1.82 4.81 -0.45 0.16 114.58 122.63 2khq h GLU 13 Ca 0.25 -0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 59.36 2khq h GLU 13 Cb -0.04 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.12 2khq h GLU 13 CO -0.08 0.59 -1.16 0.28 -0.73 0.00 0.00 179.01 177.91 2khq n VAL 14 N -4.44 0.82 -0.12 0.32 0.31 -0.81 -4.08 118.33 110.33 2khq n VAL 14 Ca 0.08 -0.60 -0.24 0.00 -0.01 0.00 0.00 64.34 63.57 2khq n VAL 14 Cb 0.07 -0.48 -0.09 0.00 -0.91 0.00 0.00 33.84 32.42 2khq n VAL 14 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 2khq n ASN 15 N -2.75 1.87 0.00 4.52 2.85 0.34 -4.78 115.26 117.31 2khq n ASN 15 Ca -0.04 0.18 0.00 0.00 -0.11 0.00 0.00 54.58 54.62 2khq n ASN 15 Cb 0.65 -0.62 0.00 0.00 1.24 0.00 0.00 39.78 41.05 2khq n ASN 15 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 2khq n LYS 16 N -3.84 0.88 -0.00 1.20 4.76 0.33 -4.80 118.16 116.68 2khq n LYS 16 Ca -0.46 0.00 -0.10 0.00 -2.87 0.00 0.00 58.31 54.87 2khq n LYS 16 Cb 0.87 -0.93 -0.04 0.00 -1.84 0.00 0.00 35.03 33.09 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 -0.98 -1.60 -0.35 5.85 -1.10 0.17 115.31 117.30 2khq h LEU 17 Ca 0.00 0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 2khq h LEU 17 Cb 0.00 0.42 -0.01 0.00 0.37 0.00 0.00 40.66 41.44 2khq h LEU 17 CO 0.00 -0.35 0.02 -0.81 -0.34 0.00 0.00 178.44 176.95 2khq n PRO 18 N -5.41 1.70 0.07 5.25 -0.04 -1.26 -4.21 135.00 131.10 2khq n PRO 18 Ca -0.03 -0.61 0.00 0.00 -0.04 0.00 0.00 63.50 62.82 2khq n PRO 18 Cb 0.32 -1.60 0.00 0.00 -0.04 0.00 0.00 33.50 32.18 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 0.13 -0.97 -2.33 0.54 8.25 -0.32 -5.10 115.22 115.42 2khq n HIS 19 Ca 0.06 0.17 -0.35 0.00 -0.26 0.00 0.00 57.72 57.34 2khq n HIS 19 Cb 0.47 0.31 -0.01 0.00 1.12 0.00 0.00 29.99 31.88 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 3.32 0.96 1.59 -7.23 0.46 -5.02 120.40 112.48 2khq s VAL 20 Ca 0.00 0.83 -0.12 0.00 -1.81 0.00 0.00 61.98 60.88 2khq s VAL 20 Cb 0.00 -3.34 0.16 0.00 0.56 0.00 0.00 36.38 33.77 2khq s VAL 20 CO 0.00 -0.17 1.09 -0.44 -0.31 0.00 0.00 175.10 175.26 2khq s SER 21 N -1.81 2.89 0.40 4.85 0.01 -1.26 -4.72 113.70 114.06 2khq s SER 21 Ca 0.71 1.51 0.09 0.00 1.31 0.00 0.00 55.95 59.57 2khq s SER 21 Cb -0.22 -2.18 0.85 0.00 0.21 0.00 0.00 66.02 64.68 2khq s SER 21 CO 0.25 -3.01 1.98 -0.33 0.41 0.00 0.00 173.24 172.54 2khq h GLU 22 N -1.81 0.33 -0.25 12.44 5.08 -1.98 0.12 114.58 128.52 2khq h GLU 22 Ca -0.52 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 57.79 2khq h GLU 22 Cb 1.30 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.48 2khq h GLU 22 CO 0.53 0.34 0.15 0.77 -1.00 0.00 0.00 179.01 179.81 2khq h SER 23 N 0.33 0.28 0.56 1.42 0.02 -2.01 -2.27 113.55 111.88 2khq h SER 23 Ca 0.08 -0.01 -0.28 0.00 -0.84 0.00 0.00 61.79 60.73 2khq h SER 23 Cb 0.19 -0.07 -0.04 0.00 0.14 0.00 0.00 62.40 62.63 2khq h SER 23 CO 0.00 0.21 -1.56 0.74 -1.14 0.00 0.00 176.83 175.09 2khq h THR 24 N 0.33 1.06 -0.94 -2.27 2.02 -1.35 -3.34 112.91 108.42 2khq h THR 24 Ca 0.09 -2.84 0.08 0.00 0.77 0.00 0.00 66.41 64.51 2khq h THR 24 Cb -0.02 2.57 -0.07 0.00 -1.74 0.00 0.00 68.15 68.89 2khq h THR 24 CO -0.02 0.68 0.61 0.11 0.37 0.00 0.00 175.52 177.27 2khq h LYS 25 N 0.02 1.00 0.00 6.66 1.57 -0.29 -0.60 116.57 124.93 2khq h LYS 25 Ca -0.23 -0.06 -0.08 0.00 -1.87 0.00 0.00 60.65 58.40 2khq h LYS 25 Cb 1.97 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 34.04 2khq h LYS 25 CO 0.10 0.66 -0.40 0.07 -0.57 0.00 0.00 179.45 179.31 2khq h ARG 26 N 1.03 0.00 0.11 3.15 0.11 -1.59 -0.85 114.38 116.34 2khq h ARG 26 Ca 0.42 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.49 2khq h ARG 26 Cb 0.28 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.36 2khq h ARG 26 CO -0.17 0.40 -0.05 0.45 0.10 0.00 0.00 179.97 180.69 2khq h HIS 27 N 0.00 -0.14 -0.55 4.08 3.86 -1.23 0.91 115.15 122.08 2khq h HIS 27 Ca -0.00 -0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.16 2khq h HIS 27 Cb 0.83 0.05 -0.02 0.00 1.06 0.00 0.00 27.41 29.32 2khq h HIS 27 CO 0.00 -0.08 0.18 1.88 0.86 0.00 0.00 177.93 180.77 2khq h TYR 28 N -0.16 0.87 -0.25 2.45 0.05 -1.29 0.06 116.97 118.70 2khq h TYR 28 Ca -0.02 -0.08 0.05 0.00 0.05 0.00 0.00 58.73 58.73 2khq h TYR 28 Cb 0.12 -0.25 -0.05 0.00 1.01 0.00 0.00 36.73 37.56 2khq h TYR 28 CO -0.07 0.74 -0.06 1.49 -1.05 0.00 0.00 178.16 179.21 2khq h GLU 29 N 0.76 0.00 -0.48 4.88 4.22 -0.99 0.24 114.58 123.20 2khq h GLU 29 Ca 0.18 -0.00 -0.10 0.00 0.08 0.00 0.00 59.36 59.51 2khq h GLU 29 Cb 0.27 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 2khq h GLU 29 CO -0.01 0.00 -0.10 0.77 -2.18 0.00 0.00 179.01 177.49 2khq h SER 30 N 0.01 0.88 -0.42 1.04 0.02 -0.62 -2.05 113.55 112.40 2khq h SER 30 Ca 0.12 -0.28 0.00 0.00 -0.84 0.00 0.00 61.79 60.80 2khq h SER 30 Cb 0.18 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.46 2khq h SER 30 CO -0.26 1.00 0.27 0.00 -1.14 0.00 0.00 176.83 176.71 2khq h ALA 31 N 1.08 0.54 -0.53 3.77 0.00 -0.46 -2.31 119.26 121.34 2khq h ALA 31 Ca 0.13 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.01 2khq h ALA 31 Cb 0.62 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 2khq h ALA 31 CO 0.04 0.01 0.35 -0.92 0.00 0.00 0.00 179.25 178.73 2khq h TYR 32 N 0.57 0.66 -0.39 0.00 3.20 -0.25 0.14 116.97 120.91 2khq h TYR 32 Ca 0.15 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.04 2khq h TYR 32 Cb -0.04 -0.22 -0.02 0.00 1.54 0.00 0.00 36.73 37.99 2khq h TYR 32 CO -0.04 0.42 0.24 0.87 -1.64 0.00 0.00 178.16 178.01 2khq h LYS 33 N 0.71 0.52 -0.07 1.82 1.57 -0.84 0.16 116.57 120.44 2khq h LYS 33 Ca 0.19 -0.04 -0.17 0.00 -1.87 0.00 0.00 60.65 58.76 2khq h LYS 33 Cb -0.08 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.11 2khq h LYS 33 CO -0.04 0.36 -0.69 0.45 -0.57 0.00 0.00 179.45 178.96 2khq h HIS 34 N 0.51 0.46 -0.34 -1.35 3.86 -0.99 -1.01 115.15 116.30 2khq h HIS 34 Ca 0.14 -0.20 -0.05 0.00 -1.16 0.00 0.00 60.37 59.10 2khq h HIS 34 Cb -0.03 -0.07 -0.01 0.00 1.06 0.00 0.00 27.41 28.36 2khq h HIS 34 CO -0.04 0.93 0.02 0.82 0.86 0.00 0.00 177.93 180.52 2khq h ILE 35 N 0.24 1.25 0.00 2.45 2.04 -0.79 -1.39 117.51 121.31 2khq h ILE 35 Ca -0.02 -0.92 -0.02 0.00 1.00 0.00 0.00 64.86 64.89 2khq h ILE 35 Cb 1.25 1.19 -0.00 0.00 -0.74 0.00 0.00 36.82 38.52 2khq h ILE 35 CO 0.12 0.30 -0.12 0.50 0.00 0.00 0.00 178.15 178.95 2khq h LYS 36 N 0.40 0.00 0.09 2.37 3.64 -0.55 0.65 116.57 123.16 2khq h LYS 36 Ca 0.10 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.47 2khq h LYS 36 Cb 0.42 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.24 2khq h LYS 36 CO 0.01 0.12 -0.04 0.22 -2.27 0.00 0.00 179.45 177.49 2khq h ASP 37 N 0.00 -0.10 0.35 4.20 3.58 -0.77 -3.39 116.42 120.29 2khq h ASP 37 Ca -0.00 -0.43 -0.32 0.00 0.42 0.00 0.00 57.03 56.70 2khq h ASP 37 Cb 0.27 0.03 -0.02 0.00 1.72 0.00 0.00 39.33 41.32 2khq h ASP 37 CO 0.02 0.40 -1.72 0.45 -2.88 0.00 0.00 179.24 175.51 2khq h HIS 38 N -0.63 0.38 -3.22 0.28 3.86 -0.89 -3.42 115.15 111.49 2khq h HIS 38 Ca -0.01 -0.28 -0.63 0.00 -1.16 0.00 0.00 60.37 58.29 2khq h HIS 38 Cb 0.52 -0.02 -0.41 0.00 1.06 0.00 0.00 27.41 28.56 2khq h HIS 38 CO 0.09 1.44 -0.60 -0.06 0.86 0.00 0.00 177.93 179.66 2khq s PHE 39 N -2.59 3.40 -0.35 2.45 0.08 0.22 -5.03 117.98 116.16 2khq s PHE 39 Ca -0.12 -3.27 -0.15 0.00 0.12 0.00 0.00 56.93 53.51 2khq s PHE 39 Cb 0.07 -2.77 -0.01 0.00 -0.57 0.00 0.00 43.02 39.74 2khq s PHE 39 CO 0.82 -0.64 0.32 1.03 -0.10 0.00 0.00 175.22 176.66 2khq s ARG 40 N -0.93 3.50 0.00 0.44 0.52 -1.26 -4.35 118.95 116.87 2khq s ARG 40 Ca 0.21 -0.53 0.00 0.00 -0.52 0.00 0.00 55.73 54.89 2khq s ARG 40 Cb -0.14 -3.82 0.00 0.00 0.52 0.00 0.00 34.95 31.51 2khq s ARG 40 CO -0.09 -0.52 0.00 0.72 0.02 0.00 0.00 175.30 175.43 2khq n HIS 41 N 5.30 0.00 -2.75 -0.53 8.25 -1.26 -4.96 115.22 119.26 2khq n HIS 41 Ca -0.10 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 56.94 2khq n HIS 41 Cb 0.49 -0.98 -0.03 0.00 1.12 0.00 0.00 29.99 30.60 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 -0.84 4.41 0.60 -0.41 2.20 -1.26 -4.84 119.74 119.60 2khq s LYS 42 Ca 0.00 1.28 -0.19 0.00 -0.36 0.00 0.00 55.97 56.70 2khq s LYS 42 Cb 0.00 -3.54 -0.03 0.00 -1.51 0.00 0.00 37.83 32.75 2khq s LYS 42 CO 0.00 -0.28 1.29 -0.51 -0.36 0.00 0.00 175.35 175.50 2khq s LEU 43 N 1.90 3.68 0.40 5.43 1.43 -1.26 -0.61 118.68 129.64 2khq s LEU 43 Ca 0.46 2.61 0.15 0.00 -1.03 0.00 0.00 54.13 56.33 2khq s LEU 43 Cb -0.18 -4.51 0.85 0.00 0.03 0.00 0.00 46.19 42.38 2khq s LEU 43 CO 0.17 -1.78 1.87 0.17 0.23 0.00 0.00 176.35 177.01 2khq h LEU 44 N 0.90 0.00 0.00 1.79 -0.00 -1.70 -0.21 115.31 116.09 2khq h LEU 44 Ca -0.51 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.37 2khq h LEU 44 Cb 1.32 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.98 2khq h LEU 44 CO 0.55 0.32 -0.08 0.07 -0.00 0.00 0.00 178.44 179.29 2khq h LYS 45 N 0.00 0.00 -0.01 0.17 2.10 -1.90 -3.23 116.57 113.70 2khq h LYS 45 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2khq h LYS 45 Cb 0.60 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.93 2khq h LYS 45 CO 0.04 0.00 -0.30 -3.47 -2.00 0.00 0.00 179.45 173.72 2khq n ASP 46 N -2.41 1.70 -4.65 7.07 2.03 -0.14 -4.91 116.55 115.23 2khq n ASP 46 Ca 0.05 -1.33 -0.42 0.00 0.52 0.00 0.00 54.79 53.61 2khq n ASP 46 Cb 0.45 0.26 -0.03 0.00 -0.72 0.00 0.00 41.12 41.08 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 -2.40 3.09 -0.03 5.18 -1.09 -0.88 -4.88 121.20 120.19 2khq s ILE 47 Ca 0.23 0.11 -0.30 0.00 -2.23 0.00 0.00 60.65 58.46 2khq s ILE 47 Cb 0.19 -3.07 -0.06 0.00 -1.58 0.00 0.00 42.46 37.94 2khq s ILE 47 CO 0.50 -0.01 1.65 -0.54 -1.23 0.00 0.00 174.94 175.31 2khq s LYS 48 N 4.61 4.19 0.42 2.79 1.02 -1.26 -4.75 119.74 126.77 2khq s LYS 48 Ca 0.88 2.21 0.19 0.00 0.02 0.00 0.00 55.97 59.27 2khq s LYS 48 Cb -0.40 -3.92 0.95 0.00 -0.52 0.00 0.00 37.83 33.94 2khq s LYS 48 CO 0.39 -0.82 1.88 0.07 -0.92 0.00 0.00 175.35 175.96 2khq h ARG 49 N 9.30 0.00 -0.11 1.68 0.11 -1.90 0.23 114.38 123.69 2khq h ARG 49 Ca -0.40 0.00 -0.13 0.00 0.10 0.00 0.00 59.98 59.55 2khq h ARG 49 Cb 1.18 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.25 2khq h ARG 49 CO 0.95 0.28 -0.51 1.79 0.10 0.00 0.00 179.97 182.58 2khq h THR 50 N 0.00 1.34 -0.27 0.08 1.35 -1.87 -0.80 112.91 112.74 2khq h THR 50 Ca -0.00 -1.76 -0.17 0.00 -0.55 0.00 0.00 66.41 63.93 2khq h THR 50 Cb 0.61 1.82 -0.00 0.00 -1.73 0.00 0.00 68.15 68.85 2khq h THR 50 CO 0.04 0.53 -0.52 -0.08 -0.25 0.00 0.00 175.52 175.23 2khq h GLU 51 N 0.24 0.76 -0.50 4.72 4.57 -1.42 0.59 114.58 123.54 2khq h GLU 51 Ca 0.01 -0.47 -0.04 0.00 -1.18 0.00 0.00 59.36 57.68 2khq h GLU 51 Cb 0.98 0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 29.60 2khq h GLU 51 CO 0.08 1.09 0.15 -0.92 -1.18 0.00 0.00 179.01 178.24 2khq h TYR 52 N 0.59 0.81 -0.10 0.92 3.20 -0.53 0.47 116.97 122.33 2khq h TYR 52 Ca 0.02 -0.08 0.01 0.00 3.14 0.00 0.00 58.73 61.81 2khq h TYR 52 Cb 1.10 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 39.13 2khq h TYR 52 CO 0.06 0.71 0.03 0.37 -1.64 0.00 0.00 178.16 177.69 2khq h GLN 53 N 0.68 0.07 -0.78 1.82 -0.00 -0.99 -0.26 115.11 115.65 2khq h GLN 53 Ca 0.16 -0.00 0.04 0.00 -0.00 0.00 0.00 58.65 58.84 2khq h GLN 53 Cb 0.28 -0.02 -0.05 0.00 0.00 0.00 0.00 27.48 27.70 2khq h GLN 53 CO -0.00 0.05 0.49 0.87 0.00 0.00 0.00 178.83 180.23 2khq h LYS 54 N 0.07 0.91 -0.46 1.69 6.56 -0.59 -0.35 116.57 124.39 2khq h LYS 54 Ca 0.04 -0.05 0.05 0.00 -1.06 0.00 0.00 60.65 59.63 2khq h LYS 54 Cb 0.03 -0.20 -0.05 0.00 -0.57 0.00 0.00 32.23 31.43 2khq h LYS 54 CO -0.05 0.60 0.19 0.35 -2.06 0.00 0.00 179.45 178.48 2khq h PHE 55 N 0.93 0.34 -0.52 -1.35 3.57 0.33 -1.35 116.94 118.89 2khq h PHE 55 Ca 0.32 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.78 2khq h PHE 55 Cb 0.05 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 38.69 2khq h PHE 55 CO -0.04 0.14 0.09 -0.07 -2.23 0.00 0.00 178.31 176.21 2khq h LEU 56 N 0.38 0.82 -0.25 0.59 3.38 -0.37 -1.97 115.31 117.89 2khq h LEU 56 Ca 0.21 -0.25 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 2khq h LEU 56 Cb 0.18 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 2khq h LEU 56 CO -0.20 0.87 0.15 0.78 0.09 0.00 0.00 178.44 180.13 2khq h ASN 57 N 0.74 0.29 -0.47 -0.43 2.35 -0.67 0.26 115.58 117.66 2khq h ASN 57 Ca 0.16 -0.04 -0.03 0.00 -0.55 0.00 0.00 56.30 55.85 2khq h ASN 57 Cb 0.39 -0.07 -0.03 0.00 0.05 0.00 0.00 38.32 38.66 2khq h ASN 57 CO 0.01 0.24 0.21 -0.33 -1.65 0.00 0.00 177.43 175.91 2khq h GLU 58 N 0.32 0.74 -0.33 0.81 4.39 -1.21 -1.76 114.58 117.54 2khq h GLU 58 Ca 0.09 -0.11 -0.11 0.00 0.34 0.00 0.00 59.36 59.57 2khq h GLU 58 Cb -0.00 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 28.50 2khq h GLU 58 CO -0.02 0.61 -0.22 -0.92 -1.16 0.00 0.00 179.01 177.31 2khq h TYR 59 N 0.74 0.86 0.00 4.33 5.03 -0.61 -2.87 116.97 124.45 2khq h TYR 59 Ca 0.18 -0.23 0.00 0.00 2.58 0.00 0.00 58.73 61.26 2khq h TYR 59 Cb 0.14 -0.19 0.00 0.00 1.55 0.00 0.00 36.73 38.23 2khq h TYR 59 CO 0.01 0.97 0.00 0.41 -1.32 0.00 0.00 178.16 178.23 2khq n GLY 60 N 0.02 -1.22 0.06 1.82 0.00 0.85 -0.99 105.19 105.73 2khq n GLY 60 Ca -0.03 -0.04 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 -1.66 0.66 0.00 0.99 4.77 -0.70 -2.74 117.00 118.32 2khq n LEU 61 Ca 0.04 0.23 0.00 0.00 -0.03 0.00 0.00 56.01 56.25 2khq n LEU 61 Cb 0.24 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 2khq n LEU 61 CO 0.19 -0.04 0.37 0.35 -1.33 0.00 0.00 177.39 176.93 2khq n THR 62 N -2.03 0.52 -4.09 -5.08 -2.24 -0.77 -4.80 114.28 95.79 2khq n THR 62 Ca 0.04 -0.55 -0.13 0.00 -2.27 0.00 0.00 64.05 61.14 2khq n THR 62 Cb 0.42 0.78 -0.05 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 -0.52 0.95 0.65 4.78 3.76 -0.16 -5.06 115.29 119.67 2khq s HIS 63 Ca 0.00 -1.19 -0.04 0.00 -0.15 0.00 0.00 55.06 53.68 2khq s HIS 63 Cb 0.00 -0.13 0.05 0.00 1.11 0.00 0.00 32.58 33.61 2khq s HIS 63 CO 0.00 -1.01 0.93 0.45 -0.85 0.00 0.00 174.74 174.25 2khq s SER 64 N -3.18 5.01 0.17 1.40 0.15 -1.26 -4.68 113.70 111.30 2khq s SER 64 Ca 0.30 0.30 -0.12 0.00 0.70 0.00 0.00 55.95 57.14 2khq s SER 64 Cb 0.01 -1.05 0.06 0.00 -1.71 0.00 0.00 66.02 63.33 2khq s SER 64 CO 0.17 -1.42 1.68 0.22 1.20 0.00 0.00 173.24 175.10 2khq h TYR 65 N -0.35 0.94 -0.54 3.44 3.20 -1.92 -1.22 116.97 120.53 2khq h TYR 65 Ca -0.44 -0.10 -0.01 0.00 3.14 0.00 0.00 58.73 61.32 2khq h TYR 65 Cb 1.31 -0.27 -0.03 0.00 1.54 0.00 0.00 36.73 39.28 2khq h TYR 65 CO 0.35 0.80 0.28 0.93 -1.64 0.00 0.00 178.16 178.88 2khq h GLU 66 N 0.81 0.74 -0.20 1.82 4.39 -1.98 0.23 114.58 120.38 2khq h GLU 66 Ca 0.18 -0.08 -0.07 0.00 0.34 0.00 0.00 59.36 59.74 2khq h GLU 66 Cb 0.32 -0.15 -0.00 0.00 -0.10 0.00 0.00 28.75 28.81 2khq h GLU 66 CO -0.00 0.55 -0.13 1.15 -1.16 0.00 0.00 179.01 179.42 2khq h THR 67 N 0.74 1.32 -0.08 1.13 2.02 -1.79 -0.89 112.91 115.36 2khq h THR 67 Ca 0.19 -1.23 -0.18 0.00 0.77 0.00 0.00 66.41 65.96 2khq h THR 67 Cb 0.04 1.69 -0.01 0.00 -1.74 0.00 0.00 68.15 68.13 2khq h THR 67 CO -0.03 0.37 -0.71 -0.29 0.37 0.00 0.00 175.52 175.23 2khq h ILE 68 N 0.13 1.38 -0.41 3.11 2.10 -0.91 -1.73 117.51 121.18 2khq h ILE 68 Ca 0.04 -2.13 -0.13 0.00 1.08 0.00 0.00 64.86 63.73 2khq h ILE 68 Cb 0.64 2.10 -0.01 0.00 -1.09 0.00 0.00 36.82 38.46 2khq h ILE 68 CO 0.04 0.64 -0.23 -0.09 -1.08 0.00 0.00 178.15 177.42 2khq h ARG 69 N 0.26 0.88 -0.18 2.19 2.43 -0.56 0.08 114.38 119.49 2khq h ARG 69 Ca -0.03 -0.40 0.04 0.00 -0.81 0.00 0.00 59.98 58.78 2khq h ARG 69 Cb 1.28 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 30.77 2khq h ARG 69 CO 0.12 1.05 -0.08 0.87 -1.51 0.00 0.00 179.97 180.42 2khq h LYS 70 N 0.70 -0.06 0.17 0.20 6.56 -1.09 -0.22 116.57 122.83 2khq h LYS 70 Ca 0.09 0.00 0.02 0.00 -1.06 0.00 0.00 60.65 59.70 2khq h LYS 70 Cb 0.80 0.01 -0.04 0.00 -0.57 0.00 0.00 32.23 32.44 2khq h LYS 70 CO 0.07 -0.04 -0.38 1.25 -2.06 0.00 0.00 179.45 178.29 2khq h LEU 71 N -0.06 -1.10 -1.05 2.94 5.85 -1.05 -1.87 115.31 118.97 2khq h LEU 71 Ca 0.10 0.12 0.08 0.00 0.84 0.00 0.00 57.88 59.02 2khq h LEU 71 Cb 0.21 0.41 -0.07 0.00 0.37 0.00 0.00 40.66 41.58 2khq h LEU 71 CO -0.22 -0.47 0.63 -1.13 -0.34 0.00 0.00 178.44 176.90 2khq h ASN 72 N -0.65 0.97 -0.67 1.25 -1.24 -0.84 -1.29 115.58 113.11 2khq h ASN 72 Ca 0.01 0.02 -0.02 0.00 0.71 0.00 0.00 56.30 57.02 2khq h ASN 72 Cb 0.65 -0.18 -0.03 0.00 0.73 0.00 0.00 38.32 39.49 2khq h ASN 72 CO -0.19 0.59 0.35 -1.28 -1.29 0.00 0.00 177.43 175.60 2khq h SER 73 N 1.08 0.87 0.02 1.15 0.87 -0.54 0.14 113.55 117.14 2khq h SER 73 Ca 0.44 -0.09 -0.00 0.00 -1.23 0.00 0.00 61.79 60.91 2khq h SER 73 Cb 0.28 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 62.02 2khq h SER 73 CO -0.19 0.73 -0.01 1.88 -0.53 0.00 0.00 176.83 178.71 2khq h TYR 74 N 0.97 -0.02 -0.54 2.24 0.05 -0.46 -2.33 116.97 116.88 2khq h TYR 74 Ca 0.24 -0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.98 2khq h TYR 74 Cb 0.08 0.01 -0.02 0.00 1.01 0.00 0.00 36.73 37.80 2khq h TYR 74 CO 0.01 0.49 0.18 0.82 -1.05 0.00 0.00 178.16 178.62 2khq h ILE 75 N -0.54 1.23 -0.56 -2.88 2.04 -1.17 -1.07 117.51 114.56 2khq h ILE 75 Ca -0.00 -0.76 0.03 0.00 1.00 0.00 0.00 64.86 65.13 2khq h ILE 75 Cb 0.52 0.71 -0.04 0.00 -0.74 0.00 0.00 36.82 37.27 2khq h ILE 75 CO 0.00 0.28 0.33 -0.09 0.00 0.00 0.00 178.15 178.68 2khq h ARG 76 N 0.75 0.63 -0.24 2.37 2.43 -0.79 -2.33 114.38 117.19 2khq h ARG 76 Ca 0.18 -0.04 -0.08 0.00 -0.81 0.00 0.00 59.98 59.23 2khq h ARG 76 Cb 0.26 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.65 2khq h ARG 76 CO -0.01 0.42 -0.19 -0.97 -1.51 0.00 0.00 179.97 177.72 2khq h ASN 77 N 0.65 0.42 -0.32 -3.80 -1.24 -0.92 0.45 115.58 110.82 2khq h ASN 77 Ca 0.23 -0.12 -0.00 0.00 0.71 0.00 0.00 56.30 57.11 2khq h ASN 77 Cb 0.04 -0.11 -0.02 0.00 0.73 0.00 0.00 38.32 38.96 2khq h ASN 77 CO -0.11 0.62 0.18 0.00 -1.29 0.00 0.00 177.43 176.84 2khq h ALA 78 N 1.42 0.41 -0.03 1.57 0.00 -0.73 0.21 119.26 122.11 2khq h ALA 78 Ca 0.07 -0.06 -0.19 0.00 0.00 0.00 0.00 54.91 54.72 2khq h ALA 78 Cb 0.55 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 2khq h ALA 78 CO 0.04 -0.07 -0.81 0.74 0.00 0.00 0.00 179.25 179.14 2khq h PHE 79 N 0.40 0.40 -0.27 0.00 0.04 -1.01 -1.83 116.94 114.67 2khq h PHE 79 Ca 0.11 -0.20 -0.08 0.00 2.80 0.00 0.00 57.97 60.60 2khq h PHE 79 Cb 0.04 -0.05 -0.01 0.00 2.20 0.00 0.00 35.95 38.13 2khq h PHE 79 CO -0.03 0.98 -0.19 0.22 -0.60 0.00 0.00 178.31 178.68 2khq h ASP 80 N 0.17 0.47 -0.01 2.17 3.58 0.13 0.29 116.42 123.22 2khq h ASP 80 Ca -0.04 -0.14 -0.21 0.00 0.42 0.00 0.00 57.03 57.06 2khq h ASP 80 Cb 1.41 -0.13 0.01 0.00 1.72 0.00 0.00 39.33 42.34 2khq h ASP 80 CO 0.13 0.67 -0.76 -0.78 -2.88 0.00 0.00 179.24 175.62 2khq h ASP 81 N 0.43 0.79 0.16 2.28 1.82 -0.53 -1.10 116.42 120.27 2khq h ASP 81 Ca 0.07 -0.52 -0.01 0.00 -0.39 0.00 0.00 57.03 56.19 2khq h ASP 81 Cb 0.58 -0.23 0.00 0.00 0.68 0.00 0.00 39.33 40.36 2khq h ASP 81 CO 0.04 1.30 -0.07 0.00 -1.61 0.00 0.00 179.24 178.89 2khq h ALA 82 N 0.69 -0.21 -0.06 -0.78 0.00 -0.86 -2.68 119.26 115.35 2khq h ALA 82 Ca -0.04 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 2khq h ALA 82 Cb 1.37 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.23 2khq h ALA 82 CO 0.15 -0.57 -0.15 0.97 0.00 0.00 0.00 179.25 179.64 2khq h ILE 83 N -0.30 1.15 -0.11 0.00 2.10 -0.49 0.35 117.51 120.21 2khq h ILE 83 Ca -0.02 -0.68 0.03 0.00 1.08 0.00 0.00 64.86 65.27 2khq h ILE 83 Cb 0.24 1.28 -0.00 0.00 -1.09 0.00 0.00 36.82 37.24 2khq h ILE 83 CO 0.04 0.20 0.13 -0.74 -1.08 0.00 0.00 178.15 176.70 2khq h HIS 84 N 0.09 0.00 -0.00 2.19 2.76 -0.85 -1.77 115.15 117.57 2khq h HIS 84 Ca 0.02 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.19 2khq h HIS 84 Cb 0.34 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.30 2khq h HIS 84 CO 0.00 0.00 -0.04 0.39 -1.30 0.00 0.00 177.93 176.98 2khq n GLU 85 N -3.77 2.28 -0.72 5.26 1.02 -0.71 -5.00 120.64 119.01 2khq n GLU 85 Ca -0.00 -0.37 0.00 0.00 -0.02 0.00 0.00 57.16 56.77 2khq n GLU 85 Cb 0.24 -0.85 0.00 0.00 -0.02 0.00 0.00 31.44 30.80 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 0.51 0.67 0.20 0.62 0.00 0.05 -4.94 105.19 102.30 2khq n GLY 86 Ca 0.01 -0.67 0.08 0.00 0.00 0.00 0.00 46.02 45.44 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 -3.94 1.61 3.20 -0.67 -3.43 116.97 113.75 2khq h TYR 87 Ca 0.00 0.00 -0.32 0.00 3.14 0.00 0.00 58.73 61.55 2khq h TYR 87 Cb 0.09 0.00 -0.26 0.00 1.54 0.00 0.00 36.73 38.10 2khq h TYR 87 CO 0.00 0.30 -0.75 0.54 -1.64 0.00 0.00 178.16 176.60 2khq s VAL 88 N -3.46 0.49 -0.01 1.81 0.11 -1.24 -4.85 120.40 113.25 2khq s VAL 88 Ca 0.02 -0.51 0.08 0.00 -2.93 0.00 0.00 61.98 58.64 2khq s VAL 88 Cb 0.09 -0.46 -0.24 0.00 -1.53 0.00 0.00 36.38 34.25 2khq s VAL 88 CO 0.67 -0.02 0.78 -0.29 -3.33 0.00 0.00 175.10 172.90 2khq h ILE 89 N 4.84 1.03 -3.65 7.04 6.09 -1.95 -3.38 117.51 127.54 2khq h ILE 89 Ca -0.31 -2.82 -0.29 0.00 -1.37 0.00 0.00 64.86 60.07 2khq h ILE 89 Cb 1.19 2.55 -0.31 0.00 0.47 0.00 0.00 36.82 40.72 2khq h ILE 89 CO 0.47 0.65 -0.73 -0.54 -3.07 0.00 0.00 178.15 174.93 2khq s LYS 90 N -2.62 0.14 -0.14 2.19 1.02 -1.26 -5.09 119.74 113.98 2khq s LYS 90 Ca -0.06 0.03 -0.21 0.00 0.02 0.00 0.00 55.97 55.76 2khq s LYS 90 Cb 0.08 -0.25 -0.03 0.00 -0.52 0.00 0.00 37.83 37.11 2khq s LYS 90 CO 0.82 -0.06 0.60 -0.80 -0.92 0.00 0.00 175.35 174.99 2khq s ASN 91 N 0.49 6.76 0.00 2.83 -0.87 -1.26 -4.88 114.94 118.00 2khq s ASN 91 Ca -0.04 0.91 0.04 0.00 -1.57 0.00 0.00 52.86 52.20 2khq s ASN 91 Cb -0.07 -2.34 0.25 0.00 -0.02 0.00 0.00 41.25 39.06 2khq s ASN 91 CO -0.01 -0.14 0.92 -2.65 -2.57 0.00 0.00 177.10 172.65 2khq n PRO 92 N 4.29 0.74 -0.02 -0.60 -0.02 -1.26 -3.20 135.00 134.93 2khq n PRO 92 Ca -0.03 0.00 0.07 0.00 -2.02 0.00 0.00 63.50 61.52 2khq n PRO 92 Cb 0.51 -1.09 0.37 0.00 -0.02 0.00 0.00 33.50 33.27 2khq n PRO 92 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2khq n THR 93 N -0.59 0.05 -2.57 3.45 -2.24 -1.26 -4.40 114.28 106.72 2khq n THR 93 Ca 0.03 -0.07 -0.39 0.00 -2.27 0.00 0.00 64.05 61.34 2khq n THR 93 Cb 0.01 -0.10 -0.05 0.00 -2.10 0.00 0.00 70.33 68.09 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 -1.95 3.65 0.00 4.78 5.04 -1.19 -3.42 117.35 124.26 2khq s TYR 94 Ca 0.22 1.75 0.00 0.00 -2.44 0.00 0.00 57.07 56.60 2khq s TYR 94 Cb 0.10 -3.16 0.00 0.00 0.35 0.00 0.00 41.96 39.25 2khq s TYR 94 CO 0.17 -0.25 0.00 1.17 -1.34 0.00 0.00 175.55 175.29 2khq n LYS 95 N 1.05 -0.29 -2.53 4.97 3.00 -1.26 -4.80 118.16 118.31 2khq n LYS 95 Ca -0.00 0.07 -0.37 0.00 -0.00 0.00 0.00 58.31 58.01 2khq n LYS 95 Cb 0.46 -3.42 -0.04 0.00 0.00 0.00 0.00 35.03 32.03 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 -2.41 3.12 0.05 3.14 0.00 -1.22 -4.92 121.76 119.52 2khq s ALA 96 Ca 0.00 0.73 0.00 0.00 0.00 0.00 0.00 51.96 52.69 2khq s ALA 96 Cb 0.00 -3.28 -0.03 0.00 0.00 0.00 0.00 23.12 19.81 2khq s ALA 96 CO 0.00 -0.22 -0.04 -1.21 0.00 0.00 0.00 175.76 174.29 2khq s GLU 97 N -2.39 0.55 -0.46 0.00 2.02 -1.26 -5.11 118.70 112.06 2khq s GLU 97 Ca 0.56 -1.01 -0.01 0.00 0.02 0.00 0.00 54.97 54.54 2khq s GLU 97 Cb -0.23 0.04 0.12 0.00 0.10 0.00 0.00 34.13 34.16 2khq s GLU 97 CO 0.29 -0.05 0.24 -0.51 0.02 0.00 0.00 175.26 175.25 2khq s LEU 98 N -2.35 5.07 -0.42 1.80 1.43 -1.26 -4.75 118.68 118.20 2khq s LEU 98 Ca -0.01 -2.37 0.04 0.00 -1.03 0.00 0.00 54.13 50.75 2khq s LEU 98 Cb -0.00 -1.78 0.12 0.00 0.03 0.00 0.00 46.19 44.55 2khq s LEU 98 CO -0.05 -0.44 0.16 -1.00 0.23 0.00 0.00 176.35 175.25 2khq s HIS 99 N 0.63 3.25 -1.09 0.29 3.76 -1.26 -5.03 115.29 115.84 2khq s HIS 99 Ca 0.12 -2.96 -0.22 0.00 -0.15 0.00 0.00 55.06 51.85 2khq s HIS 99 Cb -0.22 -2.73 0.05 0.00 1.11 0.00 0.00 32.58 30.80 2khq s HIS 99 CO -0.04 -0.84 1.54 0.00 -0.85 0.00 0.00 174.74 174.54 2khq s ALA 100 N 0.38 2.84 -1.40 -1.40 0.00 -1.26 -4.58 121.76 116.34 2khq s ALA 100 Ca 0.14 -2.42 0.10 0.00 0.00 0.00 0.00 51.96 49.79 2khq s ALA 100 Cb -0.22 -4.56 0.52 0.00 0.00 0.00 0.00 23.12 18.86 2khq s ALA 100 CO -0.05 -3.57 1.23 0.45 0.00 0.00 0.00 175.76 173.83 2khq n SER 101 N 8.88 0.00 -0.08 0.00 2.88 -1.11 -1.21 113.62 122.99 2khq n SER 101 Ca 0.37 0.16 -0.09 0.00 -1.33 0.00 0.00 58.87 57.98 2khq n SER 101 Cb 0.50 -0.30 0.06 0.00 -0.75 0.00 0.00 64.21 63.71 2khq n SER 101 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 2khq h VAL 102 N 0.00 1.28 -0.04 2.46 2.07 -1.86 -3.28 116.25 116.87 2khq h VAL 102 Ca 0.00 -1.47 0.00 0.00 0.82 0.00 0.00 66.70 66.05 2khq h VAL 102 Cb 0.10 1.35 0.00 0.00 -1.52 0.00 0.00 31.29 31.22 2khq h VAL 102 CO 0.00 0.48 0.00 0.00 0.02 0.00 0.00 177.57 178.07 2khq n LEU 103 N -4.07 1.65 -4.54 2.57 -0.00 -0.55 -4.91 117.00 107.14 2khq n LEU 103 Ca -0.01 -1.24 -0.41 0.00 -0.00 0.00 0.00 56.01 54.34 2khq n LEU 103 Cb 0.49 -0.02 -0.03 0.00 -0.00 0.00 0.00 43.42 43.86 2khq n LEU 103 CO 0.46 0.37 1.34 -0.70 -0.00 0.00 0.00 177.39 178.86 2khq s GLU 104 N -0.55 3.49 -0.29 1.47 2.12 -0.35 -4.88 118.70 119.72 2khq s GLU 104 Ca 0.07 -1.00 -0.13 0.00 0.36 0.00 0.00 54.97 54.27 2khq s GLU 104 Cb 0.04 -5.03 0.11 0.00 0.26 0.00 0.00 34.13 29.51 2khq s GLU 104 CO 0.06 -2.14 0.68 -1.58 -0.54 0.00 0.00 175.26 171.75 2khq s HIS 105 N 4.86 -1.19 -0.22 5.30 2.46 -1.26 -4.88 115.29 120.36 2khq s HIS 105 Ca 0.41 2.20 0.02 0.00 0.47 0.00 0.00 55.06 58.16 2khq s HIS 105 Cb -0.03 0.71 0.04 0.00 -0.13 0.00 0.00 32.58 33.17 2khq s HIS 105 CO -0.04 -0.59 -0.16 -1.58 -2.47 0.00 0.00 174.74 169.90 2khq s HIS 106 N 2.27 2.99 -0.10 3.88 5.04 -1.26 -5.07 115.29 123.03 2khq s HIS 106 Ca -0.08 -1.91 -0.02 0.00 -1.54 0.00 0.00 55.06 51.52 2khq s HIS 106 Cb -0.08 -1.93 0.04 0.00 0.04 0.00 0.00 32.58 30.64 2khq s HIS 106 CO -0.19 -0.83 0.01 -1.58 -2.34 0.00 0.00 174.74 169.80 2khq s HIS 107 N 1.22 0.77 -0.14 3.88 2.46 -1.26 -5.14 115.29 117.08 2khq s HIS 107 Ca -0.01 -0.34 -0.04 0.00 0.47 0.00 0.00 55.06 55.14 2khq s HIS 107 Cb -0.16 -0.87 -0.03 0.00 -0.13 0.00 0.00 32.58 31.39 2khq s HIS 107 CO -0.09 -0.40 -0.02 -3.38 -2.47 0.00 0.00 174.74 168.38 2khq s HIS 108 N 1.94 3.08 0.02 3.88 -3.43 -1.26 -4.97 115.29 114.56 2khq s HIS 108 Ca 0.04 -0.11 0.09 0.00 -0.80 0.00 0.00 55.06 54.27 2khq s HIS 108 Cb -0.13 -1.92 -0.23 0.00 -1.43 0.00 0.00 32.58 28.87 2khq s HIS 108 CO -0.06 0.13 0.92 1.25 -2.00 0.00 0.00 174.74 174.98 2khq h HIS 109 N 6.27 0.05 0.00 0.38 2.76 -2.07 -3.58 115.15 118.95 2khq h HIS 109 Ca -0.37 -0.03 0.00 0.00 -2.20 0.00 0.00 60.37 57.76 2khq h HIS 109 Cb 1.19 -0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.14 2khq h HIS 109 CO 0.56 1.04 0.00 0.72 -1.30 0.00 0.00 177.93 178.95