#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 0.93 -3.85 1.61 3.14 -1.26 -5.01 118.33 113.89 1qkh n VAL 9 Ca 0.00 -0.49 -0.12 0.00 -2.96 0.00 0.00 64.34 60.76 1qkh n VAL 9 Cb 0.00 -0.81 -0.14 0.00 -1.06 0.00 0.00 33.84 31.83 1qkh n VAL 9 CO 0.00 0.00 0.00 0.12 -6.46 0.00 0.00 176.83 170.49 1qkh s PHE 10 N -2.33 -0.05 -0.34 1.45 2.19 -1.26 -5.10 117.98 112.54 1qkh s PHE 10 Ca -0.12 0.14 -0.10 0.00 0.33 0.00 0.00 56.93 57.18 1qkh s PHE 10 Cb 0.05 0.00 0.01 0.00 -1.31 0.00 0.00 43.02 41.77 1qkh s PHE 10 CO 0.49 -0.03 0.16 0.54 1.83 0.00 0.00 175.22 178.21 1qkh s VAL 11 N 0.11 4.46 -0.48 3.12 0.11 -1.26 -1.67 120.40 124.79 1qkh s VAL 11 Ca -0.01 -0.69 -0.43 0.00 -2.93 0.00 0.00 61.98 57.92 1qkh s VAL 11 Cb -0.01 -3.39 -0.18 0.00 -1.53 0.00 0.00 36.38 31.27 1qkh s VAL 11 CO -0.00 -0.08 2.05 -0.67 -3.33 0.00 0.00 175.10 173.07 1qkh n ASP 12 N 4.96 1.01 0.23 3.54 2.03 -1.26 -4.76 116.55 122.31 1qkh n ASP 12 Ca -0.13 0.74 0.11 0.00 0.52 0.00 0.00 54.79 56.03 1qkh n ASP 12 Cb 0.47 -0.94 0.54 0.00 -0.72 0.00 0.00 41.12 40.47 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 8.70 0.00 0.49 1.67 3.58 -1.96 -2.45 116.42 126.46 1qkh h ASP 13 Ca -0.18 0.00 -0.05 0.00 0.42 0.00 0.00 57.03 57.22 1qkh h ASP 13 Cb 1.40 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.44 1qkh h ASP 13 CO 1.06 0.19 -0.25 -0.74 -2.88 0.00 0.00 179.24 176.63 1qkh h HIS 14 N 0.00 0.00 0.13 0.28 2.76 -1.96 -1.24 115.15 115.13 1qkh h HIS 14 Ca -0.00 0.00 -0.28 0.00 -2.20 0.00 0.00 60.37 57.89 1qkh h HIS 14 Cb 0.64 0.00 0.01 0.00 1.55 0.00 0.00 27.41 29.61 1qkh h HIS 14 CO 0.00 0.25 -1.24 1.37 -1.30 0.00 0.00 177.93 177.01 1qkh h LEU 15 N 0.00 0.53 -0.32 0.26 8.10 -1.68 -3.28 115.31 118.92 1qkh h LEU 15 Ca -0.00 -0.54 -0.03 0.00 0.11 0.00 0.00 57.88 57.41 1qkh h LEU 15 Cb 0.56 -0.17 -0.01 0.00 -0.44 0.00 0.00 40.66 40.59 1qkh h LEU 15 CO 0.03 1.41 0.08 -0.07 -4.11 0.00 0.00 178.44 175.78 1qkh h LEU 16 N 0.12 0.49 -1.72 0.17 3.38 -1.38 0.30 115.31 116.66 1qkh h LEU 16 Ca -0.15 -0.23 0.07 0.00 0.09 0.00 0.00 57.88 57.66 1qkh h LEU 16 Cb 1.95 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 42.56 1qkh h LEU 16 CO 0.21 0.59 0.51 1.05 0.09 0.00 0.00 178.44 180.90 1qkh h GLU 17 N 0.36 0.00 0.00 1.13 4.11 -1.30 0.19 114.58 119.07 1qkh h GLU 17 Ca 0.10 0.00 -0.31 0.00 0.07 0.00 0.00 59.36 59.22 1qkh h GLU 17 Cb 0.29 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.49 1qkh h GLU 17 CO 0.00 0.00 -2.19 1.63 0.07 0.00 0.00 179.01 178.52 1qkh n LYS 18 N -3.20 0.79 -0.10 1.06 5.02 -0.74 -4.07 118.16 116.91 1qkh n LYS 18 Ca 0.04 0.08 -0.14 0.00 -2.02 0.00 0.00 58.31 56.27 1qkh n LYS 18 Cb 0.63 -1.43 -0.03 0.00 -0.02 0.00 0.00 35.03 34.18 1qkh n LYS 18 CO 0.00 0.00 0.00 -0.24 -0.52 0.00 0.00 177.40 176.64 1qkh h VAL 19 N 0.00 1.28 -0.61 -0.18 3.04 0.83 -0.21 116.25 120.41 1qkh h VAL 19 Ca -0.47 -1.58 -0.03 0.00 -1.01 0.00 0.00 66.70 63.61 1qkh h VAL 19 Cb 1.84 1.50 -0.03 0.00 -2.01 0.00 0.00 31.29 32.59 1qkh h VAL 19 CO -0.04 0.52 0.24 -0.07 -1.01 0.00 0.00 177.57 177.21 1qkh h LEU 20 N 0.66 0.81 -1.16 3.16 3.38 -0.93 0.15 115.31 121.39 1qkh h LEU 20 Ca 0.04 -0.11 -0.06 0.00 0.09 0.00 0.00 57.88 57.85 1qkh h LEU 20 Cb 1.00 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.52 1qkh h LEU 20 CO 0.10 0.73 -0.04 -0.08 0.09 0.00 0.00 178.44 179.24 1qkh h GLU 21 N 0.88 0.54 0.00 1.13 4.57 -1.63 -0.44 114.58 119.63 1qkh h GLU 21 Ca 0.21 -0.13 -0.14 0.00 -1.18 0.00 0.00 59.36 58.11 1qkh h GLU 21 Cb 0.18 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.68 1qkh h GLU 21 CO -0.02 0.60 -0.69 -0.07 -1.18 0.00 0.00 179.01 177.65 1qkh h LEU 22 N 0.51 0.00 0.00 1.64 -0.00 0.68 -2.99 115.31 115.15 1qkh h LEU 22 Ca 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.98 1qkh h LEU 22 Cb 0.39 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.05 1qkh h LEU 22 CO 0.02 0.69 -0.15 0.59 -0.00 0.00 0.00 178.44 179.58 1qkh n ASN 23 N -3.40 0.41 0.04 -0.43 3.02 0.35 -0.75 115.26 114.49 1qkh n ASN 23 Ca 0.00 0.37 -0.16 0.00 -0.03 0.00 0.00 54.58 54.76 1qkh n ASN 23 Cb 0.76 -0.40 -0.14 0.00 -0.61 0.00 0.00 39.78 39.39 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 2.79 0.38 0.00 5.41 0.00 -0.96 -3.33 119.26 123.55 1qkh h ALA 24 Ca 0.00 -1.20 0.00 0.00 0.00 0.00 0.00 54.91 53.71 1qkh h ALA 24 Cb 0.60 0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1qkh h ALA 24 CO 0.00 1.24 -0.75 0.87 0.00 0.00 0.00 179.25 180.61 1qkh h LYS 25 N 0.06 0.00 0.00 0.00 1.79 -1.58 -3.48 116.57 113.35 1qkh h LYS 25 Ca -0.27 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.20 1qkh h LYS 25 Cb 2.01 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.66 1qkh h LYS 25 CO 0.14 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 178.92 1qkh n GLY 26 N 1.30 0.91 3.59 3.86 0.00 -0.96 -5.07 105.19 108.82 1qkh n GLY 26 Ca 0.02 -0.56 -0.34 0.00 0.00 0.00 0.00 46.02 45.14 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 -2.20 2.99 -0.72 1.61 0.41 0.07 -5.02 118.70 115.84 1qkh s GLU 27 Ca 0.00 -0.51 -0.04 0.00 -0.41 0.00 0.00 54.97 54.01 1qkh s GLU 27 Cb 0.00 -2.70 0.18 0.00 -1.78 0.00 0.00 34.13 29.83 1qkh s GLU 27 CO 0.00 0.58 0.56 0.15 -0.49 0.00 0.00 175.26 176.07 1qkh s LYS 28 N -0.58 2.87 0.00 1.61 1.02 -1.26 -4.30 119.74 119.10 1qkh s LYS 28 Ca 0.09 -2.72 0.00 0.00 0.02 0.00 0.00 55.97 53.36 1qkh s LYS 28 Cb -0.12 -3.87 0.00 0.00 -0.52 0.00 0.00 37.83 33.33 1qkh s LYS 28 CO 0.02 -1.21 0.00 -2.13 -0.92 0.00 0.00 175.35 171.11 1qkh n ARG 29 N 3.23 3.86 -4.24 1.68 3.00 -1.26 -4.89 116.66 118.04 1qkh n ARG 29 Ca 0.12 0.00 -0.26 0.00 -0.00 0.00 0.00 57.85 57.71 1qkh n ARG 29 Cb 0.39 0.00 -0.08 0.00 0.00 0.00 0.00 32.46 32.77 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 3.21 -0.10 6.15 2.34 -1.26 -2.00 118.68 127.02 1qkh s LEU 30 Ca 0.00 -0.48 -0.00 0.00 0.06 0.00 0.00 54.13 53.71 1qkh s LEU 30 Cb 0.00 -1.85 0.02 0.00 -0.56 0.00 0.00 46.19 43.80 1qkh s LEU 30 CO 0.00 0.08 -0.07 -0.63 -1.06 0.00 0.00 176.35 174.67 1qkh s ILE 31 N -1.81 0.92 0.45 1.48 1.01 -0.98 -4.90 121.20 117.37 1qkh s ILE 31 Ca 0.27 -0.25 -0.11 0.00 0.00 0.00 0.00 60.65 60.57 1qkh s ILE 31 Cb -0.09 -0.94 -0.06 0.00 0.01 0.00 0.00 42.46 41.38 1qkh s ILE 31 CO 0.18 0.34 0.83 -0.54 0.00 0.00 0.00 174.94 175.75 1qkh s LYS 32 N 1.55 3.77 0.07 2.79 3.01 -1.26 0.03 119.74 129.71 1qkh s LYS 32 Ca 0.01 0.55 0.01 0.00 -1.01 0.00 0.00 55.97 55.54 1qkh s LYS 32 Cb -0.13 -2.32 -0.04 0.00 -1.01 0.00 0.00 37.83 34.33 1qkh s LYS 32 CO -0.06 -0.14 -0.06 0.99 0.51 0.00 0.00 175.35 176.60 1qkh s THR 33 N -2.52 0.52 -0.02 2.17 2.01 -0.87 -4.56 115.64 112.37 1qkh s THR 33 Ca 0.53 -1.74 0.19 0.00 0.31 0.00 0.00 61.69 60.98 1qkh s THR 33 Cb -0.10 -1.43 0.32 0.00 0.01 0.00 0.00 72.50 71.30 1qkh s THR 33 CO 0.34 -0.82 1.13 0.79 -0.69 0.00 0.00 174.62 175.37 1qkh n TRP 34 N 0.28 0.02 0.00 4.92 8.01 -1.26 -3.94 117.44 125.47 1qkh n TRP 34 Ca -0.15 -0.61 0.00 0.00 -1.31 0.00 0.00 57.50 55.43 1qkh n TRP 34 Cb 0.60 0.05 0.00 0.00 -2.01 0.00 0.00 31.31 29.94 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 0.27 0.00 0.04 -0.99 3.41 -1.26 -5.03 113.62 110.07 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 1.01 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.96 1qkh n SER 35 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1qkh n ARG 36 N 0.00 0.00 -1.63 4.33 0.63 -1.26 -4.78 116.66 113.95 1qkh n ARG 36 Ca 0.00 0.00 -0.37 0.00 -0.92 0.00 0.00 57.85 56.56 1qkh n ARG 36 Cb 0.00 0.00 0.06 0.00 0.45 0.00 0.00 32.46 32.97 1qkh n ARG 36 CO 0.00 0.00 0.00 2.89 -2.51 0.00 0.00 177.63 178.01 1qkh n ARG 37 N -2.45 2.71 -1.61 -0.14 1.85 -1.26 -3.14 116.66 112.62 1qkh n ARG 37 Ca 0.00 -3.37 -0.45 0.00 -1.00 0.00 0.00 57.85 53.03 1qkh n ARG 37 Cb 0.00 -2.27 -0.02 0.00 -1.05 0.00 0.00 32.46 29.12 1qkh n ARG 37 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 1qkh n SER 38 N -0.68 1.65 -4.23 2.89 7.64 -1.25 -4.04 113.62 115.59 1qkh n SER 38 Ca 0.58 1.17 -0.14 0.00 1.01 0.00 0.00 58.87 61.49 1qkh n SER 38 Cb 0.44 -1.31 -0.10 0.00 -1.01 0.00 0.00 64.21 62.22 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 -0.78 1.11 0.59 0.44 2.01 -0.67 -4.52 115.64 113.82 1qkh s THR 39 Ca 0.62 -1.98 -0.02 0.00 0.31 0.00 0.00 61.69 60.61 1qkh s THR 39 Cb -0.71 -1.76 0.03 0.00 0.01 0.00 0.00 72.50 70.07 1qkh s THR 39 CO 0.58 -0.72 0.85 -0.63 -0.69 0.00 0.00 174.62 174.01 1qkh s ILE 40 N -3.19 2.93 0.27 1.82 1.09 -1.26 -4.04 121.20 118.81 1qkh s ILE 40 Ca 0.15 -0.41 0.03 0.00 -1.10 0.00 0.00 60.65 59.32 1qkh s ILE 40 Cb 0.02 -3.15 -0.03 0.00 -1.06 0.00 0.00 42.46 38.23 1qkh s ILE 40 CO 0.00 -0.13 0.21 0.68 -0.10 0.00 0.00 174.94 175.60 1qkh s VAL 41 N -2.91 0.00 0.39 2.92 -7.23 -1.26 -4.21 120.40 108.10 1qkh s VAL 41 Ca 0.56 -1.99 0.10 0.00 -1.81 0.00 0.00 61.98 58.85 1qkh s VAL 41 Cb -0.10 -2.50 0.15 0.00 0.56 0.00 0.00 36.38 34.48 1qkh s VAL 41 CO 0.41 0.00 1.90 1.55 -0.31 0.00 0.00 175.10 178.66 1qkh h PRO 42 N 2.37 0.17 0.00 4.82 0.13 -1.98 -1.46 132.00 136.06 1qkh h PRO 42 Ca -0.30 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 1qkh h PRO 42 Cb 1.24 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1qkh h PRO 42 CO 0.44 0.36 0.00 0.39 -0.23 0.00 0.00 178.00 178.97 1qkh n GLU 43 N -4.25 0.09 -0.40 0.86 -0.58 -1.26 -1.83 120.64 113.28 1qkh n GLU 43 Ca -0.01 0.43 0.10 0.00 -0.42 0.00 0.00 57.16 57.26 1qkh n GLU 43 Cb 0.29 -1.71 0.30 0.00 -0.57 0.00 0.00 31.44 29.76 1qkh n GLU 43 CO 0.00 0.00 0.00 -1.33 -0.48 0.00 0.00 177.13 175.32 1qkh n MET 44 N -1.88 2.80 0.00 3.49 2.81 -0.55 -4.53 117.12 119.25 1qkh n MET 44 Ca 0.01 -2.46 0.01 0.00 -1.81 0.00 0.00 57.70 53.46 1qkh n MET 44 Cb 0.13 -1.60 0.05 0.00 -0.71 0.00 0.00 33.22 31.08 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 1.34 0.00 -2.40 2.03 3.14 -0.76 -2.53 118.33 119.15 1qkh n VAL 45 Ca 0.23 0.00 -0.01 0.00 -2.96 0.00 0.00 64.34 61.59 1qkh n VAL 45 Cb 0.63 -0.70 0.01 0.00 -1.06 0.00 0.00 33.84 32.73 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 -0.59 1.10 3.11 7.55 0.00 -0.86 -4.07 105.19 111.44 1qkh n GLY 46 Ca 0.01 -0.47 -0.10 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 -0.54 0.15 -1.01 1.61 4.02 -1.05 -4.30 115.29 114.16 1qkh s HIS 47 Ca 0.17 -0.38 -0.11 0.00 1.02 0.00 0.00 55.06 55.76 1qkh s HIS 47 Cb 0.25 -0.11 0.26 0.00 -1.02 0.00 0.00 32.58 31.96 1qkh s HIS 47 CO -0.08 -0.34 0.98 0.99 1.02 0.00 0.00 174.74 177.31 1qkh s THR 48 N -2.20 5.86 -0.29 1.30 2.01 -0.85 -1.08 115.64 120.40 1qkh s THR 48 Ca -0.08 -3.07 -0.23 0.00 0.31 0.00 0.00 61.69 58.61 1qkh s THR 48 Cb -0.03 -4.55 -0.00 0.00 0.01 0.00 0.00 72.50 67.92 1qkh s THR 48 CO -0.03 -1.13 0.78 -0.63 -0.69 0.00 0.00 174.62 172.93 1qkh s ILE 49 N -0.73 4.83 -1.26 1.82 1.09 -0.94 -2.31 121.20 123.69 1qkh s ILE 49 Ca 0.26 1.26 -0.20 0.00 -1.10 0.00 0.00 60.65 60.88 1qkh s ILE 49 Cb -0.10 -4.11 0.02 0.00 -1.06 0.00 0.00 42.46 37.21 1qkh s ILE 49 CO -0.08 -0.18 1.80 0.00 -0.10 0.00 0.00 174.94 176.37 1qkh s ALA 50 N 2.88 2.83 0.23 9.38 0.00 0.10 -1.65 121.76 135.54 1qkh s ALA 50 Ca 0.32 -2.67 -0.32 0.00 0.00 0.00 0.00 51.96 49.30 1qkh s ALA 50 Cb -0.15 -4.66 -0.12 0.00 0.00 0.00 0.00 23.12 18.19 1qkh s ALA 50 CO 0.11 -3.92 1.63 1.33 0.00 0.00 0.00 175.76 174.91 1qkh n VAL 51 N 6.85 0.41 -2.30 0.00 0.24 -0.88 -2.05 118.33 120.60 1qkh n VAL 51 Ca 0.47 -0.10 -0.42 0.00 -2.04 0.00 0.00 64.34 62.26 1qkh n VAL 51 Cb 0.46 -1.86 -0.03 0.00 -1.47 0.00 0.00 33.84 30.95 1qkh n VAL 51 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 1qkh s TYR 52 N 0.64 2.17 -1.61 6.34 5.04 -1.25 -1.55 117.35 127.12 1qkh s TYR 52 Ca 0.72 0.56 0.00 0.00 -2.44 0.00 0.00 57.07 55.91 1qkh s TYR 52 Cb -0.54 -4.31 0.00 0.00 0.35 0.00 0.00 41.96 37.45 1qkh s TYR 52 CO 0.40 -2.13 0.65 -1.71 -1.34 0.00 0.00 175.55 171.42 1qkh n ASN 53 N 9.93 0.31 0.00 4.32 5.15 0.50 -3.87 115.26 131.60 1qkh n ASN 53 Ca 0.15 -1.61 0.00 0.00 -0.60 0.00 0.00 54.58 52.52 1qkh n ASN 53 Cb 0.49 -0.16 0.00 0.00 -0.53 0.00 0.00 39.78 39.58 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 0.22 2.12 0.00 8.20 0.00 -1.19 -4.70 105.19 109.84 1qkh n GLY 54 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.26 1.28 -4.23 1.61 2.85 -1.26 -4.99 118.16 113.15 1qkh n LYS 55 Ca 0.00 0.00 -0.17 0.00 -1.05 0.00 0.00 58.31 57.09 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 -0.65 -0.05 0.00 0.00 177.40 176.70 1qkh s GLN 56 N -0.78 1.00 -0.39 -1.58 -1.52 -1.26 -5.12 119.66 110.00 1qkh s GLN 56 Ca 0.00 -1.25 -0.17 0.00 -1.95 0.00 0.00 55.36 51.99 1qkh s GLN 56 Cb 0.00 -0.80 0.01 0.00 -0.22 0.00 0.00 33.01 32.00 1qkh s GLN 56 CO 0.00 0.14 0.44 -1.01 -0.25 0.00 0.00 175.29 174.61 1qkh s HIS 57 N -2.36 3.18 -0.65 0.91 3.76 -1.26 -0.37 115.29 118.49 1qkh s HIS 57 Ca 0.09 -0.22 -0.14 0.00 -0.15 0.00 0.00 55.06 54.65 1qkh s HIS 57 Cb -0.03 -2.86 0.17 0.00 1.11 0.00 0.00 32.58 30.96 1qkh s HIS 57 CO 0.02 -0.63 0.59 0.08 -0.85 0.00 0.00 174.74 173.96 1qkh s VAL 58 N 2.16 5.20 -0.92 -0.90 1.01 -0.60 -4.76 120.40 121.60 1qkh s VAL 58 Ca 0.13 -2.00 -0.25 0.00 0.00 0.00 0.00 61.98 59.86 1qkh s VAL 58 Cb -0.17 -4.29 -0.11 0.00 0.00 0.00 0.00 36.38 31.82 1qkh s VAL 58 CO 0.13 -0.93 2.14 -2.16 0.00 0.00 0.00 175.10 174.28 1qkh s PRO 59 N 0.90 2.01 -0.35 2.72 0.04 -1.25 -2.07 135.00 137.00 1qkh s PRO 59 Ca 0.10 -0.14 -0.17 0.00 0.04 0.00 0.00 61.00 60.83 1qkh s PRO 59 Cb -0.21 -4.97 -0.00 0.00 0.04 0.00 0.00 34.50 29.35 1qkh s PRO 59 CO -0.03 -4.13 0.47 0.14 0.04 0.00 0.00 177.00 173.49 1qkh s VAL 60 N 12.85 5.06 -0.64 -0.36 -7.23 -0.66 -4.66 120.40 124.76 1qkh s VAL 60 Ca 0.80 0.22 -0.27 0.00 -1.81 0.00 0.00 61.98 60.91 1qkh s VAL 60 Cb -0.08 -3.93 -0.00 0.00 0.56 0.00 0.00 36.38 32.92 1qkh s VAL 60 CO 0.07 -0.20 1.65 -0.47 -0.31 0.00 0.00 175.10 175.83 1qkh s TYR 61 N 2.28 1.90 0.14 2.82 6.14 -1.25 -2.21 117.35 127.17 1qkh s TYR 61 Ca 0.16 0.50 -0.26 0.00 0.64 0.00 0.00 57.07 58.12 1qkh s TYR 61 Cb -0.16 -4.28 -0.07 0.00 0.42 0.00 0.00 41.96 37.87 1qkh s TYR 61 CO 0.13 -2.23 0.79 0.42 0.64 0.00 0.00 175.55 175.30 1qkh s ILE 62 N 7.78 4.45 0.00 3.14 1.09 -0.24 -4.91 121.20 132.52 1qkh s ILE 62 Ca 0.56 1.72 0.00 0.00 -1.10 0.00 0.00 60.65 61.83 1qkh s ILE 62 Cb -0.11 -4.15 0.00 0.00 -1.06 0.00 0.00 42.46 37.14 1qkh s ILE 62 CO 0.19 0.47 0.00 0.35 -0.10 0.00 0.00 174.94 175.86 1qkh n THR 63 N 1.94 0.00 1.44 2.92 -2.24 -1.26 -2.03 114.28 115.06 1qkh n THR 63 Ca -0.04 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 61.87 1qkh n THR 63 Cb 0.49 -0.30 0.49 0.00 -2.10 0.00 0.00 70.33 68.91 1qkh n THR 63 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1qkh n GLU 64 N 0.00 1.70 0.00 -0.78 4.07 -1.26 -4.05 120.64 120.32 1qkh n GLU 64 Ca 0.00 -1.03 0.00 0.00 -0.06 0.00 0.00 57.16 56.07 1qkh n GLU 64 Cb 0.00 -1.47 0.00 0.00 -0.06 0.00 0.00 31.44 29.91 1qkh n GLU 64 CO 0.00 0.00 0.00 -1.71 -0.06 0.00 0.00 177.13 175.36 1qkh n ASN 65 N 0.25 0.07 0.06 4.31 5.15 -1.26 -4.74 115.26 119.09 1qkh n ASN 65 Ca 0.18 -0.40 -0.01 0.00 -0.60 0.00 0.00 54.58 53.76 1qkh n ASN 65 Cb 0.36 0.58 -0.06 0.00 -0.53 0.00 0.00 39.78 40.13 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 -7.29 1.20 2.86 -1.92 -3.47 114.93 106.30 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 0.02 0.00 0.16 0.00 0.06 0.00 0.00 31.60 31.84 1qkh h MET 66 CO 0.00 0.41 0.22 0.54 1.06 0.00 0.00 176.91 179.13 1qkh s VAL 67 N -2.89 2.53 0.00 -2.22 0.11 -1.26 -4.50 120.40 112.17 1qkh s VAL 67 Ca -0.01 0.17 0.00 0.00 -2.93 0.00 0.00 61.98 59.21 1qkh s VAL 67 Cb 0.08 -2.52 0.00 0.00 -1.53 0.00 0.00 36.38 32.42 1qkh s VAL 67 CO 0.80 -0.23 0.00 0.61 -3.33 0.00 0.00 175.10 172.95 1qkh n GLY 68 N -0.63 1.60 0.00 6.54 0.00 -1.26 -5.02 105.19 106.43 1qkh n GLY 68 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 0.00 0.00 0.00 1.61 8.25 -1.26 -2.93 115.22 120.89 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 -0.50 0.00 0.00 -0.41 -0.00 -1.26 -1.49 118.16 114.50 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 0.20 -5.58 -0.00 -1.26 -4.53 117.00 105.83 1qkh n LEU 71 Ca 0.00 0.00 0.14 0.00 -0.00 0.00 0.00 56.01 56.15 1qkh n LEU 71 Cb 0.00 0.00 0.55 0.00 -0.00 0.00 0.00 43.42 43.97 1qkh n LEU 71 CO 0.00 0.00 0.92 1.23 -0.00 0.00 0.00 177.39 179.54 1qkh h GLY 72 N 0.00 0.00 1.59 1.47 0.00 -1.85 0.13 103.07 104.41 1qkh h GLY 72 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 1qkh h GLY 72 CO 0.00 0.00 -0.48 0.83 0.00 0.00 0.00 176.54 176.89 1qkh h GLU 73 N 0.00 0.00 0.00 4.80 4.39 -1.92 -2.68 114.58 119.17 1qkh h GLU 73 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1qkh h GLU 73 Cb 0.51 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.16 1qkh h GLU 73 CO 0.00 0.07 -1.57 1.19 -1.16 0.00 0.00 179.01 177.54 1qkh n PHE 74 N -2.95 0.00 -2.95 4.33 3.01 -0.94 -4.62 117.46 113.34 1qkh n PHE 74 Ca 0.02 0.00 -0.16 0.00 1.01 0.00 0.00 57.45 58.32 1qkh n PHE 74 Cb 0.58 -0.31 -0.01 0.00 -0.01 0.00 0.00 39.48 39.73 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 -1.94 2.84 -1.25 4.37 0.00 0.39 -4.95 120.51 119.98 1qkh n ALA 75 Ca -0.02 -3.44 -0.20 0.00 0.00 0.00 0.00 53.44 49.78 1qkh n ALA 75 Cb 0.42 -0.90 -0.09 0.00 0.00 0.00 0.00 19.45 18.88 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 0.08 2.17 0.09 0.00 -0.04 -1.01 -3.58 135.00 132.72 1qkh n PRO 76 Ca 0.20 -1.76 0.00 0.00 -0.04 0.00 0.00 63.50 61.91 1qkh n PRO 76 Cb 0.70 -2.02 0.00 0.00 -0.04 0.00 0.00 33.50 32.14 1qkh n PRO 76 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1qkh n THR 77 N 1.40 0.02 -0.12 0.52 -1.04 -1.26 -4.98 114.28 108.82 1qkh n THR 77 Ca 0.44 0.01 -0.26 0.00 -2.04 0.00 0.00 64.05 62.19 1qkh n THR 77 Cb 0.67 -0.53 -0.11 0.00 -1.82 0.00 0.00 70.33 68.55 1qkh n THR 77 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1qkh n ARG 78 N -3.15 0.59 -2.96 -2.82 3.00 -1.26 -5.01 116.66 105.05 1qkh n ARG 78 Ca 0.00 0.36 -0.18 0.00 -0.01 0.00 0.00 57.85 58.02 1qkh n ARG 78 Cb 0.00 -1.59 0.02 0.00 0.00 0.00 0.00 32.46 30.89 1qkh n ARG 78 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.63 175.26 1qkh n THR 79 N -4.21 0.00 0.77 0.55 5.66 -1.24 -5.21 114.28 110.61 1qkh n THR 79 Ca -0.46 -1.55 0.09 0.00 -3.05 0.00 0.00 64.05 59.09 1qkh n THR 79 Cb 0.83 -0.31 0.08 0.00 -1.55 0.00 0.00 70.33 69.38 1qkh n THR 79 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02