#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qkh n VAL 9 N 0.00 -8.20 -3.94 1.61 0.31 -1.26 -4.99 118.33 101.86 1qkh n VAL 9 Ca 0.00 0.02 -0.32 0.00 -0.01 0.00 0.00 64.34 64.04 1qkh n VAL 9 Cb 0.00 -5.77 -0.05 0.00 -0.91 0.00 0.00 33.84 27.12 1qkh n VAL 9 CO 0.00 0.00 0.00 0.72 -1.32 0.00 0.00 176.83 176.23 1qkh s PHE 10 N -2.82 3.48 -0.49 3.52 -0.71 -0.94 -4.87 117.98 115.16 1qkh s PHE 10 Ca 0.07 0.25 -0.18 0.00 -1.04 0.00 0.00 56.93 56.03 1qkh s PHE 10 Cb -0.01 -1.76 0.06 0.00 -1.21 0.00 0.00 43.02 40.09 1qkh s PHE 10 CO 0.80 0.59 0.57 0.08 -1.34 0.00 0.00 175.22 175.92 1qkh s VAL 11 N -1.44 4.96 -0.40 -2.49 1.01 -1.26 -0.12 120.40 120.65 1qkh s VAL 11 Ca 0.32 -0.55 -0.39 0.00 0.00 0.00 0.00 61.98 61.36 1qkh s VAL 11 Cb -0.13 -4.24 -0.15 0.00 0.00 0.00 0.00 36.38 31.87 1qkh s VAL 11 CO 0.25 -0.72 2.13 -0.67 0.00 0.00 0.00 175.10 176.09 1qkh n ASP 12 N 5.94 1.60 0.26 3.32 2.03 -1.26 -4.77 116.55 123.68 1qkh n ASP 12 Ca -0.07 0.57 0.14 0.00 0.52 0.00 0.00 54.79 55.95 1qkh n ASP 12 Cb 0.45 -1.11 0.69 0.00 -0.72 0.00 0.00 41.12 40.44 1qkh n ASP 12 CO 0.00 0.00 0.00 -0.78 -1.92 0.00 0.00 177.20 174.50 1qkh h ASP 13 N 10.62 0.00 -0.18 1.67 3.58 -1.96 -2.50 116.42 127.66 1qkh h ASP 13 Ca -0.22 0.00 -0.04 0.00 0.42 0.00 0.00 57.03 57.19 1qkh h ASP 13 Cb 1.36 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.39 1qkh h ASP 13 CO 1.04 0.11 -0.01 -0.74 -2.88 0.00 0.00 179.24 176.77 1qkh h HIS 14 N 0.00 0.45 0.21 0.28 2.76 -1.98 0.31 115.15 117.18 1qkh h HIS 14 Ca -0.00 -0.04 -0.32 0.00 -2.20 0.00 0.00 60.37 57.81 1qkh h HIS 14 Cb 0.45 -0.13 0.03 0.00 1.55 0.00 0.00 27.41 29.31 1qkh h HIS 14 CO 0.00 0.46 -1.41 1.37 -1.30 0.00 0.00 177.93 177.05 1qkh h LEU 15 N 0.42 0.69 -0.84 0.26 8.10 -1.70 -3.27 115.31 118.97 1qkh h LEU 15 Ca 0.09 -0.75 -0.01 0.00 0.11 0.00 0.00 57.88 57.32 1qkh h LEU 15 Cb 0.29 -0.22 -0.04 0.00 -0.44 0.00 0.00 40.66 40.25 1qkh h LEU 15 CO 0.01 1.59 0.47 -0.07 -4.11 0.00 0.00 178.44 176.32 1qkh h LEU 16 N 0.12 1.05 -1.87 0.17 4.07 -1.20 -1.03 115.31 116.62 1qkh h LEU 16 Ca -0.22 -0.09 0.26 0.00 0.08 0.00 0.00 57.88 57.91 1qkh h LEU 16 Cb 2.10 -0.27 -0.05 0.00 1.08 0.00 0.00 40.66 43.53 1qkh h LEU 16 CO 0.25 0.84 0.67 1.05 -1.08 0.00 0.00 178.44 180.16 1qkh h GLU 17 N 1.17 0.09 0.03 1.13 4.11 -0.44 0.22 114.58 120.91 1qkh h GLU 17 Ca 0.30 -0.01 -0.30 0.00 0.07 0.00 0.00 59.36 59.42 1qkh h GLU 17 Cb 0.02 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.21 1qkh h GLU 17 CO -0.05 0.06 -1.71 0.87 0.07 0.00 0.00 179.01 178.25 1qkh h LYS 18 N 0.10 0.07 -0.39 1.06 1.79 -1.37 -3.32 116.57 114.51 1qkh h LYS 18 Ca 0.47 -0.12 -0.13 0.00 -2.18 0.00 0.00 60.65 58.68 1qkh h LYS 18 Cb 1.68 0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 32.37 1qkh h LYS 18 CO -0.06 0.71 -0.28 0.28 -1.08 0.00 0.00 179.45 179.03 1qkh h VAL 19 N 0.02 1.27 -0.69 0.50 2.07 0.54 -1.12 116.25 118.85 1qkh h VAL 19 Ca -0.29 -1.42 -0.02 0.00 0.82 0.00 0.00 66.70 65.79 1qkh h VAL 19 Cb 2.00 1.27 -0.03 0.00 -1.52 0.00 0.00 31.29 33.01 1qkh h VAL 19 CO 0.09 0.47 0.35 -0.07 0.02 0.00 0.00 177.57 178.43 1qkh h LEU 20 N 0.70 0.87 -1.08 2.57 3.38 -1.08 0.10 115.31 120.77 1qkh h LEU 20 Ca 0.08 -0.08 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 1qkh h LEU 20 Cb 0.82 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.32 1qkh h LEU 20 CO 0.07 0.73 0.00 -0.08 0.09 0.00 0.00 178.44 179.25 1qkh h GLU 21 N 0.97 0.65 0.00 1.13 4.22 -1.55 -1.49 114.58 118.51 1qkh h GLU 21 Ca 0.24 -0.15 -0.08 0.00 0.08 0.00 0.00 59.36 59.45 1qkh h GLU 21 Cb 0.07 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 1qkh h GLU 21 CO -0.03 0.67 -0.39 -0.07 -2.18 0.00 0.00 179.01 177.00 1qkh h LEU 22 N 0.62 0.00 0.00 1.64 3.38 0.30 -2.80 115.31 118.45 1qkh h LEU 22 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1qkh h LEU 22 Cb 0.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1qkh h LEU 22 CO 0.01 0.39 -0.25 0.59 0.09 0.00 0.00 178.44 179.27 1qkh n ASN 23 N -3.38 0.36 0.01 -0.43 3.02 0.14 -0.55 115.26 114.43 1qkh n ASN 23 Ca 0.01 0.21 -0.18 0.00 -0.03 0.00 0.00 54.58 54.58 1qkh n ASN 23 Cb 0.58 -0.19 -0.14 0.00 -0.61 0.00 0.00 39.78 39.41 1qkh n ASN 23 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1qkh h ALA 24 N 2.88 0.47 0.00 5.41 0.00 -1.04 -3.38 119.26 123.59 1qkh h ALA 24 Ca 0.00 -1.36 -0.17 0.00 0.00 0.00 0.00 54.91 53.38 1qkh h ALA 24 Cb 0.56 0.59 -0.03 0.00 0.00 0.00 0.00 17.79 18.91 1qkh h ALA 24 CO 0.00 1.33 -2.14 1.63 0.00 0.00 0.00 179.25 180.07 1qkh n LYS 25 N -3.39 0.72 -0.44 0.00 4.76 -1.11 -4.99 118.16 113.70 1qkh n LYS 25 Ca -0.26 -0.11 0.00 0.00 -2.87 0.00 0.00 58.31 55.07 1qkh n LYS 25 Cb 1.05 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.74 1qkh n LYS 25 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1qkh n GLY 26 N 1.54 1.61 3.69 0.72 0.00 0.29 -5.06 105.19 107.98 1qkh n GLY 26 Ca -0.17 -0.20 -0.42 0.00 0.00 0.00 0.00 46.02 45.22 1qkh n GLY 26 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1qkh s GLU 27 N -1.63 4.43 -0.90 1.61 2.02 -0.30 -4.96 118.70 118.97 1qkh s GLU 27 Ca 0.00 1.41 0.00 0.00 0.02 0.00 0.00 54.97 56.40 1qkh s GLU 27 Cb 0.00 -3.53 0.32 0.00 0.10 0.00 0.00 34.13 31.01 1qkh s GLU 27 CO 0.00 -0.29 1.44 1.63 0.02 0.00 0.00 175.26 178.06 1qkh n LYS 28 N 4.89 4.45 0.00 1.61 5.02 -1.26 -4.73 118.16 128.14 1qkh n LYS 28 Ca 0.09 -4.69 0.00 0.00 -2.02 0.00 0.00 58.31 51.68 1qkh n LYS 28 Cb 0.49 -2.40 0.00 0.00 -0.02 0.00 0.00 35.03 33.09 1qkh n LYS 28 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1qkh n ARG 29 N 0.28 3.83 -4.52 1.97 3.00 -1.26 -4.85 116.66 115.11 1qkh n ARG 29 Ca 0.37 0.00 -0.30 0.00 -0.00 0.00 0.00 57.85 57.92 1qkh n ARG 29 Cb 0.32 0.00 -0.13 0.00 0.00 0.00 0.00 32.46 32.65 1qkh n ARG 29 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.63 177.15 1qkh s LEU 30 N 0.00 2.47 -0.22 6.15 2.34 -1.26 -1.91 118.68 126.26 1qkh s LEU 30 Ca 0.00 -0.59 0.01 0.00 0.06 0.00 0.00 54.13 53.61 1qkh s LEU 30 Cb 0.00 -1.40 0.03 0.00 -0.56 0.00 0.00 46.19 44.26 1qkh s LEU 30 CO 0.00 0.21 -0.14 -0.63 -1.06 0.00 0.00 176.35 174.73 1qkh s ILE 31 N -1.01 2.34 0.56 1.48 1.09 -0.99 -4.92 121.20 119.75 1qkh s ILE 31 Ca 0.15 -1.12 -0.16 0.00 -1.10 0.00 0.00 60.65 58.41 1qkh s ILE 31 Cb -0.10 -2.14 -0.05 0.00 -1.06 0.00 0.00 42.46 39.10 1qkh s ILE 31 CO 0.06 0.31 1.04 -0.54 -0.10 0.00 0.00 174.94 175.70 1qkh s LYS 32 N 1.26 3.53 0.09 2.79 -0.14 -1.26 -0.25 119.74 125.76 1qkh s LYS 32 Ca 0.00 1.14 0.02 0.00 -1.36 0.00 0.00 55.97 55.77 1qkh s LYS 32 Cb -0.16 -2.07 -0.04 0.00 -1.68 0.00 0.00 37.83 33.89 1qkh s LYS 32 CO -0.08 -0.63 -0.07 0.99 -0.76 0.00 0.00 175.35 174.80 1qkh s THR 33 N -2.47 0.68 -0.23 2.17 2.01 -0.71 -4.60 115.64 112.48 1qkh s THR 33 Ca 0.62 -1.80 0.19 0.00 0.31 0.00 0.00 61.69 61.01 1qkh s THR 33 Cb -0.14 -1.52 0.43 0.00 0.01 0.00 0.00 72.50 71.28 1qkh s THR 33 CO 0.34 -0.80 1.24 0.79 -0.69 0.00 0.00 174.62 175.51 1qkh n TRP 34 N 0.19 0.01 0.00 4.92 8.01 -1.26 -4.03 117.44 125.27 1qkh n TRP 34 Ca -0.14 -1.69 0.00 0.00 -1.31 0.00 0.00 57.50 54.36 1qkh n TRP 34 Cb 0.60 0.38 0.00 0.00 -2.01 0.00 0.00 31.31 30.27 1qkh n TRP 34 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.69 175.55 1qkh n SER 35 N -0.71 0.00 0.07 -0.99 3.41 -1.26 -5.05 113.62 109.09 1qkh n SER 35 Ca -0.03 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.58 1qkh n SER 35 Cb 0.86 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.81 1qkh n SER 35 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1qkh n ARG 36 N 0.00 0.00 -1.30 4.33 1.74 -1.26 -4.66 116.66 115.51 1qkh n ARG 36 Ca 0.00 0.00 -0.32 0.00 -0.77 0.00 0.00 57.85 56.76 1qkh n ARG 36 Cb 0.00 -0.10 0.07 0.00 -1.02 0.00 0.00 32.46 31.40 1qkh n ARG 36 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1qkh n ARG 37 N -3.08 2.53 -1.61 5.56 3.00 -1.26 -4.32 116.66 117.49 1qkh n ARG 37 Ca 0.00 -2.99 -0.63 0.00 -0.01 0.00 0.00 57.85 54.23 1qkh n ARG 37 Cb 0.00 -2.17 -0.09 0.00 0.00 0.00 0.00 32.46 30.20 1qkh n ARG 37 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 1qkh n SER 38 N -0.64 0.54 -4.26 0.55 7.64 -1.24 -2.21 113.62 114.00 1qkh n SER 38 Ca 0.56 1.17 -0.18 0.00 1.01 0.00 0.00 58.87 61.43 1qkh n SER 38 Cb 0.61 -0.91 -0.11 0.00 -1.01 0.00 0.00 64.21 62.79 1qkh n SER 38 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1qkh s THR 39 N 1.28 1.41 0.66 0.44 2.01 0.83 -4.53 115.64 117.73 1qkh s THR 39 Ca 0.97 -1.83 -0.05 0.00 0.31 0.00 0.00 61.69 61.09 1qkh s THR 39 Cb -1.36 -1.65 0.05 0.00 0.01 0.00 0.00 72.50 69.55 1qkh s THR 39 CO 0.67 -0.46 0.95 -0.63 -0.69 0.00 0.00 174.62 174.47 1qkh s ILE 40 N -2.35 2.62 0.26 1.82 1.09 -1.26 -4.13 121.20 119.26 1qkh s ILE 40 Ca 0.12 -0.27 0.02 0.00 -1.10 0.00 0.00 60.65 59.41 1qkh s ILE 40 Cb -0.04 -3.10 -0.04 0.00 -1.06 0.00 0.00 42.46 38.22 1qkh s ILE 40 CO 0.03 -0.10 0.13 0.68 -0.10 0.00 0.00 174.94 175.59 1qkh s VAL 41 N -3.12 0.32 0.33 2.92 -7.23 -1.26 -4.21 120.40 108.14 1qkh s VAL 41 Ca 0.58 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.82 1qkh s VAL 41 Cb -0.11 -2.56 0.10 0.00 0.56 0.00 0.00 36.38 34.37 1qkh s VAL 41 CO 0.44 0.00 1.79 1.55 -0.31 0.00 0.00 175.10 178.57 1qkh h PRO 42 N 2.38 0.30 0.00 4.82 0.13 -1.97 -2.25 132.00 135.40 1qkh h PRO 42 Ca -0.36 -0.10 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1qkh h PRO 42 Cb 1.25 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1qkh h PRO 42 CO 0.55 0.54 0.00 -0.85 -0.23 0.00 0.00 178.00 178.01 1qkh n GLU 43 N -4.15 0.21 0.00 0.86 0.28 -1.26 -2.28 120.64 114.30 1qkh n GLU 43 Ca -0.01 0.15 0.14 0.00 -0.16 0.00 0.00 57.16 57.28 1qkh n GLU 43 Cb 0.37 -1.50 0.43 0.00 1.43 0.00 0.00 31.44 32.17 1qkh n GLU 43 CO 0.00 0.00 0.00 -1.33 -0.16 0.00 0.00 177.13 175.64 1qkh n MET 44 N -1.28 1.68 0.00 3.44 2.81 -0.85 -4.50 117.12 118.43 1qkh n MET 44 Ca 0.07 -1.08 0.00 0.00 -1.81 0.00 0.00 57.70 54.88 1qkh n MET 44 Cb 0.11 -1.48 0.00 0.00 -0.71 0.00 0.00 33.22 31.14 1qkh n MET 44 CO 0.00 0.00 0.00 1.55 1.51 0.00 0.00 175.97 179.03 1qkh n VAL 45 N 0.28 0.00 -2.27 2.03 3.14 -0.97 -1.87 118.33 118.68 1qkh n VAL 45 Ca 0.17 0.00 -0.01 0.00 -2.96 0.00 0.00 64.34 61.55 1qkh n VAL 45 Cb 0.40 -0.62 -0.02 0.00 -1.06 0.00 0.00 33.84 32.54 1qkh n VAL 45 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1qkh n GLY 46 N -0.46 0.78 3.21 7.55 0.00 -1.26 -3.37 105.19 111.65 1qkh n GLY 46 Ca 0.00 -0.45 -0.11 0.00 0.00 0.00 0.00 46.02 45.46 1qkh n GLY 46 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1qkh s HIS 47 N 0.00 0.01 -0.79 1.61 4.02 -0.78 -4.59 115.29 114.77 1qkh s HIS 47 Ca 0.18 -0.24 -0.13 0.00 1.02 0.00 0.00 55.06 55.89 1qkh s HIS 47 Cb 0.21 0.02 0.21 0.00 -1.02 0.00 0.00 32.58 31.99 1qkh s HIS 47 CO -0.09 -0.48 0.72 0.99 1.02 0.00 0.00 174.74 176.89 1qkh s THR 48 N -2.83 5.42 -0.23 1.30 2.01 -0.80 -1.50 115.64 119.01 1qkh s THR 48 Ca -0.03 -2.43 -0.21 0.00 0.31 0.00 0.00 61.69 59.33 1qkh s THR 48 Cb 0.00 -4.37 -0.02 0.00 0.01 0.00 0.00 72.50 68.12 1qkh s THR 48 CO -0.05 -1.00 0.66 -0.63 -0.69 0.00 0.00 174.62 172.90 1qkh s ILE 49 N 0.27 4.97 -1.24 1.82 1.09 -0.64 -2.36 121.20 125.11 1qkh s ILE 49 Ca 0.17 1.21 -0.19 0.00 -1.10 0.00 0.00 60.65 60.73 1qkh s ILE 49 Cb -0.13 -3.96 0.05 0.00 -1.06 0.00 0.00 42.46 37.36 1qkh s ILE 49 CO -0.07 0.04 1.73 0.00 -0.10 0.00 0.00 174.94 176.53 1qkh s ALA 50 N 2.37 3.02 0.29 9.38 0.00 0.66 -1.59 121.76 135.88 1qkh s ALA 50 Ca 0.28 -2.71 -0.30 0.00 0.00 0.00 0.00 51.96 49.24 1qkh s ALA 50 Cb -0.16 -4.63 -0.11 0.00 0.00 0.00 0.00 23.12 18.22 1qkh s ALA 50 CO 0.09 -3.61 1.56 0.14 0.00 0.00 0.00 175.76 173.94 1qkh s VAL 51 N 5.28 2.17 -0.56 0.00 -7.23 -0.92 -1.73 120.40 117.41 1qkh s VAL 51 Ca 0.55 0.15 -0.28 0.00 -1.81 0.00 0.00 61.98 60.58 1qkh s VAL 51 Cb 0.03 -3.09 0.03 0.00 0.56 0.00 0.00 36.38 33.90 1qkh s VAL 51 CO 0.06 0.02 1.17 -0.47 -0.31 0.00 0.00 175.10 175.58 1qkh s TYR 52 N -0.05 2.66 -1.90 2.82 5.04 -1.26 -1.31 117.35 123.35 1qkh s TYR 52 Ca 0.62 0.47 0.18 0.00 -2.44 0.00 0.00 57.07 55.89 1qkh s TYR 52 Cb -0.47 -4.49 1.03 0.00 0.35 0.00 0.00 41.96 38.38 1qkh s TYR 52 CO 0.48 -1.51 1.47 -1.71 -1.34 0.00 0.00 175.55 172.93 1qkh n ASN 53 N 8.29 0.00 0.00 4.32 5.15 -0.13 -4.18 115.26 128.71 1qkh n ASN 53 Ca 0.09 -0.45 0.00 0.00 -0.60 0.00 0.00 54.58 53.62 1qkh n ASN 53 Cb 0.49 -0.05 0.00 0.00 -0.53 0.00 0.00 39.78 39.69 1qkh n ASN 53 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1qkh n GLY 54 N 0.12 1.72 0.00 8.20 0.00 -1.26 -4.82 105.19 109.15 1qkh n GLY 54 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1qkh n GLY 54 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1qkh n LYS 55 N 0.00 1.08 -4.20 1.61 2.85 -1.26 -5.07 118.16 113.17 1qkh n LYS 55 Ca 0.00 0.00 -0.16 0.00 -1.05 0.00 0.00 58.31 57.10 1qkh n LYS 55 Cb 0.00 -0.49 -0.11 0.00 -0.65 0.00 0.00 35.03 33.78 1qkh n LYS 55 CO 0.00 0.00 0.00 1.14 -0.05 0.00 0.00 177.40 178.49 1qkh s GLN 56 N -0.82 0.92 -0.41 -1.58 1.03 -1.26 -5.12 119.66 112.43 1qkh s GLN 56 Ca 0.00 -1.20 -0.15 0.00 0.04 0.00 0.00 55.36 54.05 1qkh s GLN 56 Cb 0.00 -0.68 0.02 0.00 0.03 0.00 0.00 33.01 32.38 1qkh s GLN 56 CO 0.00 0.12 0.30 -1.01 -2.54 0.00 0.00 175.29 172.15 1qkh s HIS 57 N -2.36 3.24 -0.65 9.60 3.76 -1.26 -0.95 115.29 126.66 1qkh s HIS 57 Ca 0.07 -0.56 -0.17 0.00 -0.15 0.00 0.00 55.06 54.26 1qkh s HIS 57 Cb -0.03 -2.59 0.14 0.00 1.11 0.00 0.00 32.58 31.21 1qkh s HIS 57 CO 0.01 -0.58 0.67 0.08 -0.85 0.00 0.00 174.74 174.07 1qkh s VAL 58 N 1.69 5.16 -0.80 -0.90 1.01 -0.43 -4.73 120.40 121.40 1qkh s VAL 58 Ca 0.05 -1.58 -0.25 0.00 0.00 0.00 0.00 61.98 60.20 1qkh s VAL 58 Cb -0.19 -4.45 -0.07 0.00 0.00 0.00 0.00 36.38 31.68 1qkh s VAL 58 CO 0.10 -1.03 2.08 -2.16 0.00 0.00 0.00 175.10 174.09 1qkh s PRO 59 N 1.66 2.29 -0.22 2.72 0.04 -1.25 -2.17 135.00 138.08 1qkh s PRO 59 Ca 0.11 0.18 -0.08 0.00 0.04 0.00 0.00 61.00 61.25 1qkh s PRO 59 Cb -0.22 -4.85 -0.04 0.00 0.04 0.00 0.00 34.50 29.43 1qkh s PRO 59 CO 0.00 -3.53 0.08 0.14 0.04 0.00 0.00 177.00 173.74 1qkh s VAL 60 N 11.25 4.71 -0.57 -0.36 -7.23 -0.62 -4.68 120.40 122.90 1qkh s VAL 60 Ca 0.77 -0.05 -0.27 0.00 -1.81 0.00 0.00 61.98 60.62 1qkh s VAL 60 Cb -0.10 -3.17 -0.00 0.00 0.56 0.00 0.00 36.38 33.67 1qkh s VAL 60 CO 0.07 0.39 1.65 -0.47 -0.31 0.00 0.00 175.10 176.43 1qkh s TYR 61 N 0.99 1.95 0.07 2.82 6.14 -1.26 -1.62 117.35 126.43 1qkh s TYR 61 Ca 0.05 0.58 -0.31 0.00 0.64 0.00 0.00 57.07 58.03 1qkh s TYR 61 Cb -0.14 -4.25 -0.15 0.00 0.42 0.00 0.00 41.96 37.84 1qkh s TYR 61 CO 0.03 -2.27 1.47 0.82 0.64 0.00 0.00 175.55 176.25 1qkh h ILE 62 N 6.63 0.00 -2.46 3.14 5.03 -1.39 -3.46 117.51 124.99 1qkh h ILE 62 Ca -0.27 0.00 0.28 0.00 -0.12 0.00 0.00 64.86 64.75 1qkh h ILE 62 Cb 1.13 0.00 -0.09 0.00 -3.03 0.00 0.00 36.82 34.83 1qkh h ILE 62 CO 1.18 0.00 -0.55 0.41 -0.68 0.00 0.00 178.15 178.51 1qkh n THR 63 N -5.04 0.00 -1.62 -0.27 -1.04 -1.22 -2.34 114.28 102.76 1qkh n THR 63 Ca -0.11 0.20 -0.37 0.00 -2.04 0.00 0.00 64.05 61.73 1qkh n THR 63 Cb 0.40 -0.57 -0.03 0.00 -1.82 0.00 0.00 70.33 68.32 1qkh n THR 63 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 1qkh n GLU 64 N -3.66 3.94 0.00 -2.82 0.00 -1.26 -3.94 120.64 112.91 1qkh n GLU 64 Ca -0.01 -2.72 0.00 0.00 0.00 0.00 0.00 57.16 54.43 1qkh n GLU 64 Cb 0.50 -2.63 0.00 0.00 0.00 0.00 0.00 31.44 29.30 1qkh n GLU 64 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 1qkh n ASN 65 N 2.49 0.00 0.04 4.31 5.15 -1.25 -4.98 115.26 121.02 1qkh n ASN 65 Ca 0.67 0.00 0.01 0.00 -0.60 0.00 0.00 54.58 54.66 1qkh n ASN 65 Cb 0.30 0.00 -0.07 0.00 -0.53 0.00 0.00 39.78 39.48 1qkh n ASN 65 CO 0.00 0.00 0.00 0.24 1.40 0.00 0.00 177.26 178.90 1qkh h MET 66 N 0.00 0.00 -7.30 1.20 2.86 -1.59 -3.48 114.93 106.63 1qkh h MET 66 Ca 0.00 0.00 -0.49 0.00 -2.06 0.00 0.00 59.70 57.15 1qkh h MET 66 Cb 0.00 0.00 0.16 0.00 0.06 0.00 0.00 31.60 31.82 1qkh h MET 66 CO 0.00 0.29 0.24 0.54 1.06 0.00 0.00 176.91 179.04 1qkh s VAL 67 N -2.95 2.66 0.00 -2.22 0.11 -1.26 -4.45 120.40 112.29 1qkh s VAL 67 Ca -0.02 0.21 0.00 0.00 -2.93 0.00 0.00 61.98 59.24 1qkh s VAL 67 Cb 0.09 -2.56 0.00 0.00 -1.53 0.00 0.00 36.38 32.37 1qkh s VAL 67 CO 0.80 -0.28 0.00 0.61 -3.33 0.00 0.00 175.10 172.91 1qkh n GLY 68 N -0.69 1.73 0.00 6.54 0.00 -1.26 -5.00 105.19 106.51 1qkh n GLY 68 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1qkh n GLY 68 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1qkh n HIS 69 N -0.12 0.00 0.00 1.61 8.25 -1.26 -4.96 115.22 118.74 1qkh n HIS 69 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1qkh n HIS 69 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1qkh n HIS 69 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 1qkh n LYS 70 N -0.64 0.00 0.00 -0.41 -0.00 -1.26 -4.34 118.16 111.50 1qkh n LYS 70 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1qkh n LYS 70 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.03 1qkh n LYS 70 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.40 178.87 1qkh n LEU 71 N 0.00 0.00 0.24 -5.58 -0.00 -1.26 -4.55 117.00 105.84 1qkh n LEU 71 Ca 0.00 0.00 0.16 0.00 -0.00 0.00 0.00 56.01 56.17 1qkh n LEU 71 Cb 0.00 0.00 0.64 0.00 -0.00 0.00 0.00 43.42 44.06 1qkh n LEU 71 CO 0.00 0.00 0.96 1.23 -0.00 0.00 0.00 177.39 179.58 1qkh h GLY 72 N 0.00 0.00 1.36 1.47 0.00 -1.92 0.55 103.07 104.53 1qkh h GLY 72 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1qkh h GLY 72 CO 0.00 0.00 -0.54 0.83 0.00 0.00 0.00 176.54 176.83 1qkh h GLU 73 N 0.00 0.00 0.00 4.80 5.08 -1.86 -2.59 114.58 120.00 1qkh h GLU 73 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1qkh h GLU 73 Cb 0.46 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.71 1qkh h GLU 73 CO 0.00 0.00 -1.94 1.19 -1.00 0.00 0.00 179.01 177.26 1qkh n PHE 74 N -2.41 0.00 -2.87 4.33 3.01 -0.82 -4.55 117.46 114.15 1qkh n PHE 74 Ca 0.03 0.00 -0.17 0.00 1.01 0.00 0.00 57.45 58.31 1qkh n PHE 74 Cb 0.48 -0.47 -0.01 0.00 -0.01 0.00 0.00 39.48 39.47 1qkh n PHE 74 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1qkh n ALA 75 N -2.21 3.31 -1.22 4.37 0.00 0.12 -4.94 120.51 119.93 1qkh n ALA 75 Ca -0.04 -3.63 -0.19 0.00 0.00 0.00 0.00 53.44 49.59 1qkh n ALA 75 Cb 0.54 -0.85 -0.12 0.00 0.00 0.00 0.00 19.45 19.02 1qkh n ALA 75 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1qkh n PRO 76 N -0.02 2.18 0.16 0.00 -0.04 -0.98 -4.48 135.00 131.82 1qkh n PRO 76 Ca 0.22 -1.62 0.04 0.00 -0.04 0.00 0.00 63.50 62.10 1qkh n PRO 76 Cb 0.68 -2.06 0.17 0.00 -0.04 0.00 0.00 33.50 32.25 1qkh n PRO 76 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1qkh h THR 77 N 1.99 0.91 0.29 0.52 1.03 -1.91 -3.35 112.91 112.39 1qkh h THR 77 Ca 0.28 -1.94 -0.01 0.00 -0.01 0.00 0.00 66.41 64.73 1qkh h THR 77 Cb 1.14 2.21 0.00 0.00 -1.07 0.00 0.00 68.15 70.43 1qkh h THR 77 CO 0.53 0.46 -0.14 -0.09 -0.01 0.00 0.00 175.52 176.27 1qkh h ARG 78 N 0.00 -0.38 0.00 0.00 9.65 -1.98 -3.47 114.38 118.20 1qkh h ARG 78 Ca -0.00 0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.90 1qkh h ARG 78 Cb 1.17 0.09 0.00 0.00 -1.39 0.00 0.00 29.97 29.83 1qkh h ARG 78 CO 0.06 -0.21 0.00 0.25 2.80 0.00 0.00 179.97 182.87 1qkh n THR 79 N -5.03 0.00 -1.14 0.20 -2.24 -1.25 -5.30 114.28 99.50 1qkh n THR 79 Ca -0.05 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 1qkh n THR 79 Cb 0.17 -0.07 0.00 0.00 -2.10 0.00 0.00 70.33 68.33 1qkh n THR 79 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28