#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 1.12 -4.36 1.61 0.31 -1.26 -5.07 118.33 110.68 1qkh n VAL 9 Ca 0.00 0.13 -0.22 0.00 -0.01 0.00 0.00 64.34 64.25 1qkh n VAL 9 Cb 0.00 -1.84 -0.11 0.00 -0.91 0.00 0.00 33.84 30.98 1qkh n VAL 9 CO 0.00 0.00 0.00 0.12 -1.32 0.00 0.00 176.83 175.63 1qkh s PHE 10 N -2.34 1.90 -0.19 3.52 2.19 -1.25 -5.10 117.98 116.71 1qkh s PHE 10 Ca -0.14 -0.47 -0.02 0.00 0.33 0.00 0.00 56.93 56.63 1qkh s PHE 10 Cb 0.03 -0.91 -0.00 0.00 -1.31 0.00 0.00 43.02 40.83 1qkh s PHE 10 CO 0.20 0.41 -0.10 0.54 1.83 0.00 0.00 175.22 178.10 1qkh s VAL 11 N -2.32 2.99 -0.47 3.12 0.11 -1.26 -2.68 120.40 119.88 1qkh s VAL 11 Ca 0.20 -0.64 -0.35 0.00 -2.93 0.00 0.00 61.98 58.26 1qkh s VAL 11 Cb -0.05 -2.32 -0.14 0.00 -1.53 0.00 0.00 36.38 32.35 1qkh s VAL 11 CO 0.08 0.47 2.26 -0.67 -3.33 0.00 0.00 175.10 173.92 1qkh n ASP 12 N 4.50 1.68 0.26 3.54 2.03 -1.26 -4.76 116.55 122.54 1qkh n ASP 12 Ca -0.19 0.34 0.14 0.00 0.52 0.00 0.00 54.79 55.61 1qkh n ASP 12 Cb 0.51 -1.19 0.66 0.00 -0.72 0.00 0.00 41.12 40.38 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 12.42 0.00 0.64 1.67 3.58 -1.96 -2.07 116.42 130.70 1qkh h ASP 13 Ca -0.21 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.23 1qkh h ASP 13 Cb 1.33 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.38 1qkh h ASP 13 CO 1.09 0.11 -0.07 -0.74 -2.88 0.00 0.00 179.24 176.75 1qkh h HIS 14 N 0.00 0.00 0.15 0.28 2.76 -1.92 -0.77 115.15 115.65 1qkh h HIS 14 Ca -0.00 0.00 -0.32 0.00 -2.20 0.00 0.00 60.37 57.85 1qkh h HIS 14 Cb 0.51 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.48 1qkh h HIS 14 CO 0.00 0.07 -1.55 1.37 -1.30 0.00 0.00 177.93 176.52 1qkh h LEU 15 N 0.00 0.49 -0.20 0.26 8.10 -1.53 -3.34 115.31 119.08 1qkh h LEU 15 Ca -0.00 -0.65 -0.04 0.00 0.11 0.00 0.00 57.88 57.30 1qkh h LEU 15 Cb 0.40 -0.16 -0.01 0.00 -0.44 0.00 0.00 40.66 40.46 1qkh h LEU 15 CO 0.01 1.54 -0.03 -0.07 -4.11 0.00 0.00 178.44 175.78 1qkh h LEU 16 N 0.08 0.37 -1.91 0.17 3.38 -1.40 0.19 115.31 116.19 1qkh h LEU 16 Ca -0.26 -0.34 0.04 0.00 0.09 0.00 0.00 57.88 57.41 1qkh h LEU 16 Cb 2.05 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 42.69 1qkh h LEU 16 CO 0.18 0.62 0.40 1.05 0.09 0.00 0.00 178.44 180.78 1qkh h GLU 17 N 0.11 0.00 0.00 1.13 4.11 -1.29 1.00 114.58 119.64 1qkh h GLU 17 Ca 0.05 0.00 -0.24 0.00 0.07 0.00 0.00 59.36 59.25 1qkh h GLU 17 Cb 0.45 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.65 1qkh h GLU 17 CO 0.02 0.00 -1.95 1.63 0.07 0.00 0.00 179.01 178.77 1qkh n LYS 18 N -3.14 1.59 0.11 1.06 5.02 -1.01 -4.37 118.16 117.41 1qkh n LYS 18 Ca 0.01 -0.02 -0.21 0.00 -2.02 0.00 0.00 58.31 56.07 1qkh n LYS 18 Cb 0.49 -1.36 -0.13 0.00 -0.02 0.00 0.00 35.03 34.00 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 1.33 0.00 -0.18 3.04 0.58 -3.14 116.25 117.88 1qkh h VAL 19 Ca -0.35 -2.62 -0.02 0.00 -1.01 0.00 0.00 66.70 62.70 1qkh h VAL 19 Cb 1.78 2.79 -0.00 0.00 -2.01 0.00 0.00 31.29 33.85 1qkh h VAL 19 CO 0.02 0.79 -0.08 0.17 -1.01 0.00 0.00 177.57 177.46 1qkh h LEU 20 N 0.21 0.00 -0.69 3.16 8.10 -1.09 0.40 115.31 125.40 1qkh h LEU 20 Ca -0.19 0.00 -0.14 0.00 0.11 0.00 0.00 57.88 57.66 1qkh h LEU 20 Cb 1.96 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 42.16 1qkh h LEU 20 CO 0.24 0.08 -0.60 -0.33 -4.11 0.00 0.00 178.44 173.72 1qkh h GLU 21 N 0.00 0.19 0.00 0.17 5.08 -1.74 -0.15 114.58 118.14 1qkh h GLU 21 Ca -0.00 -0.13 -0.13 0.00 -1.00 0.00 0.00 59.36 58.10 1qkh h GLU 21 Cb 0.21 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 1qkh h GLU 21 CO 0.01 0.73 -0.60 -0.07 -1.00 0.00 0.00 179.01 178.08 1qkh h LEU 22 N 0.14 0.00 0.00 1.33 4.07 -0.92 -1.75 115.31 118.19 1qkh h LEU 22 Ca -0.01 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.95 1qkh h LEU 22 Cb 1.09 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.83 1qkh h LEU 22 CO 0.09 0.60 -0.45 0.59 -1.08 0.00 0.00 178.44 178.19 1qkh n ASN 23 N -3.41 0.68 0.01 -0.43 3.02 -0.67 -0.63 115.26 113.83 1qkh n ASN 23 Ca 0.01 0.21 -0.22 0.00 -0.03 0.00 0.00 54.58 54.55 1qkh n ASN 23 Cb 0.71 -0.08 -0.14 0.00 -0.61 0.00 0.00 39.78 39.66 1qkh n ASN 23 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1qkh n ALA 24 N -1.78 0.86 -0.05 5.41 0.00 -0.09 -4.37 120.51 120.50 1qkh n ALA 24 Ca 0.04 -0.57 -0.08 0.00 0.00 0.00 0.00 53.44 52.83 1qkh n ALA 24 Cb 0.43 -0.69 -0.14 0.00 0.00 0.00 0.00 19.45 19.04 1qkh n ALA 24 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1qkh n LYS 25 N -3.52 0.65 0.00 0.00 -0.00 -0.67 -4.98 118.16 109.63 1qkh n LYS 25 Ca -0.32 0.17 0.00 0.00 -0.00 0.00 0.00 58.31 58.17 1qkh n LYS 25 Cb 1.04 -1.69 0.00 0.00 -0.00 0.00 0.00 35.03 34.37 1qkh n LYS 25 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1qkh n GLY 26 N 1.61 1.50 3.74 2.58 0.00 -0.22 -5.08 105.19 109.32 1qkh n GLY 26 Ca -0.22 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.15 4.63 -0.83 1.61 0.41 0.20 -4.98 118.70 119.59 1qkh s GLU 27 Ca 0.00 1.27 0.00 0.00 -0.41 0.00 0.00 54.97 55.84 1qkh s GLU 27 Cb 0.00 -3.34 0.20 0.00 -1.78 0.00 0.00 34.13 29.21 1qkh s GLU 27 CO 0.00 0.33 0.69 0.15 -0.49 0.00 0.00 175.26 175.94 1qkh s LYS 28 N -0.33 3.02 0.00 1.61 -0.14 -1.26 -4.51 119.74 118.13 1qkh s LYS 28 Ca 0.42 -3.27 0.00 0.00 -1.36 0.00 0.00 55.97 51.75 1qkh s LYS 28 Cb -0.23 -3.80 0.00 0.00 -1.68 0.00 0.00 37.83 32.12 1qkh s LYS 28 CO 0.27 -1.27 0.00 -2.13 -0.76 0.00 0.00 175.35 171.47 1qkh n ARG 29 N 2.27 2.60 -4.07 1.68 3.00 -1.26 -5.07 116.66 115.82 1qkh n ARG 29 Ca 0.20 0.00 -0.22 0.00 -0.00 0.00 0.00 57.85 57.83 1qkh n ARG 29 Cb 0.36 0.00 -0.05 0.00 0.00 0.00 0.00 32.46 32.78 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 3.67 0.33 6.15 2.34 -1.26 -3.53 118.68 126.39 1qkh s LEU 30 Ca 0.00 -0.37 0.09 0.00 0.06 0.00 0.00 54.13 53.91 1qkh s LEU 30 Cb 0.00 -2.22 -0.05 0.00 -0.56 0.00 0.00 46.19 43.36 1qkh s LEU 30 CO 0.00 -0.11 0.00 -0.63 -1.06 0.00 0.00 176.35 174.55 1qkh s ILE 31 N -2.21 2.66 0.09 1.48 -1.09 -0.98 -4.84 121.20 116.32 1qkh s ILE 31 Ca 0.35 -1.98 0.07 0.00 -2.23 0.00 0.00 60.65 56.85 1qkh s ILE 31 Cb -0.07 -2.78 -0.03 0.00 -1.58 0.00 0.00 42.46 37.99 1qkh s ILE 31 CO 0.25 -0.21 -0.18 -0.54 -1.23 0.00 0.00 174.94 173.02 1qkh s LYS 32 N -3.71 0.98 0.08 2.79 3.01 -1.26 0.24 119.74 121.87 1qkh s LYS 32 Ca 0.34 -1.07 0.02 0.00 -1.01 0.00 0.00 55.97 54.26 1qkh s LYS 32 Cb -0.01 -1.13 -0.03 0.00 -1.01 0.00 0.00 37.83 35.65 1qkh s LYS 32 CO 0.19 0.26 -0.08 0.99 0.51 0.00 0.00 175.35 177.22 1qkh s THR 33 N -1.21 0.70 0.00 2.17 2.01 -0.94 -4.16 115.64 114.20 1qkh s THR 33 Ca 0.02 -1.55 0.16 0.00 0.31 0.00 0.00 61.69 60.64 1qkh s THR 33 Cb -0.10 -1.21 0.27 0.00 0.01 0.00 0.00 72.50 71.47 1qkh s THR 33 CO 0.03 -0.62 1.09 0.79 -0.69 0.00 0.00 174.62 175.22 1qkh n TRP 34 N 0.66 0.00 -1.24 4.92 8.01 -1.26 -3.87 117.44 124.66 1qkh n TRP 34 Ca -0.17 -0.42 0.00 0.00 -1.31 0.00 0.00 57.50 55.60 1qkh n TRP 34 Cb 0.58 0.02 0.00 0.00 -2.01 0.00 0.00 31.31 29.90 1qkh n TRP 34 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.69 177.11 1qkh n SER 35 N 0.31 0.00 -0.05 -0.99 7.64 -1.26 -5.02 113.62 114.25 1qkh n SER 35 Ca -0.02 0.00 -0.09 0.00 1.01 0.00 0.00 58.87 59.76 1qkh n SER 35 Cb 0.97 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 64.14 1qkh n SER 35 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 1qkh n ARG 36 N 0.00 0.32 -0.95 1.43 0.63 -1.26 -4.46 116.66 112.36 1qkh n ARG 36 Ca 0.00 0.13 -0.20 0.00 -0.92 0.00 0.00 57.85 56.86 1qkh n ARG 36 Cb 0.00 -1.05 0.11 0.00 0.45 0.00 0.00 32.46 31.97 1qkh n ARG 36 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 1qkh n ARG 37 N -3.94 2.00 -1.52 -0.14 3.00 -1.26 -4.42 116.66 110.39 1qkh n ARG 37 Ca -0.16 -2.23 -0.59 0.00 -0.01 0.00 0.00 57.85 54.85 1qkh n ARG 37 Cb 0.45 -1.88 -0.08 0.00 0.00 0.00 0.00 32.46 30.95 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 -0.54 0.45 -4.24 0.55 7.64 -1.26 -3.89 113.62 112.33 1qkh n SER 38 Ca 0.44 1.11 -0.14 0.00 1.01 0.00 0.00 58.87 61.30 1qkh n SER 38 Cb 1.11 -0.86 -0.10 0.00 -1.01 0.00 0.00 64.21 63.35 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 1.13 0.83 0.73 0.44 2.01 -1.09 -4.71 115.64 114.98 1qkh s THR 39 Ca 0.92 -2.00 -0.11 0.00 0.31 0.00 0.00 61.69 60.81 1qkh s THR 39 Cb -1.29 -2.00 0.03 0.00 0.01 0.00 0.00 72.50 69.24 1qkh s THR 39 CO 0.64 -0.59 1.10 -0.63 -0.69 0.00 0.00 174.62 174.45 1qkh s ILE 40 N -3.55 3.34 0.27 1.82 1.09 -1.26 -4.15 121.20 118.77 1qkh s ILE 40 Ca 0.21 0.44 0.04 0.00 -1.10 0.00 0.00 60.65 60.23 1qkh s ILE 40 Cb 0.05 -3.39 -0.03 0.00 -1.06 0.00 0.00 42.46 38.03 1qkh s ILE 40 CO 0.02 -0.57 0.21 0.68 -0.10 0.00 0.00 174.94 175.19 1qkh s VAL 41 N -3.34 0.00 0.28 2.92 -7.23 -1.26 -4.23 120.40 107.55 1qkh s VAL 41 Ca 0.59 -2.00 0.06 0.00 -1.81 0.00 0.00 61.98 58.82 1qkh s VAL 41 Cb -0.12 -2.50 0.02 0.00 0.56 0.00 0.00 36.38 34.35 1qkh s VAL 41 CO 0.52 0.00 1.67 1.55 -0.31 0.00 0.00 175.10 178.53 1qkh h PRO 42 N 2.35 0.23 0.00 4.82 0.13 -1.98 -2.72 132.00 134.83 1qkh h PRO 42 Ca -0.30 -0.12 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 1qkh h PRO 42 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1qkh h PRO 42 CO 0.44 0.64 0.00 0.39 -0.23 0.00 0.00 178.00 179.24 1qkh n GLU 43 N -4.00 0.69 0.00 0.86 -0.58 -1.26 -2.89 120.64 113.46 1qkh n GLU 43 Ca -0.02 0.00 0.12 0.00 -0.42 0.00 0.00 57.16 56.84 1qkh n GLU 43 Cb 0.50 -1.50 0.12 0.00 -0.57 0.00 0.00 31.44 30.00 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 -1.00 0.61 0.00 3.49 2.81 -1.03 -4.53 117.12 117.47 1qkh n MET 44 Ca 0.16 -0.45 0.00 0.00 -1.81 0.00 0.00 57.70 55.60 1qkh n MET 44 Cb 0.08 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 31.10 1qkh n MET 44 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 1qkh n VAL 45 N -0.80 0.51 -2.61 2.03 0.31 -1.14 -0.98 118.33 115.65 1qkh n VAL 45 Ca 0.08 0.44 0.01 0.00 -0.01 0.00 0.00 64.34 64.86 1qkh n VAL 45 Cb 0.38 -1.44 0.03 0.00 -0.91 0.00 0.00 33.84 31.90 1qkh n VAL 45 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1qkh n GLY 46 N -1.08 1.35 3.04 2.92 0.00 -1.26 -2.67 105.19 107.48 1qkh n GLY 46 Ca 0.00 -0.82 -0.10 0.00 0.00 0.00 0.00 46.02 45.10 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 -1.52 0.19 -1.07 1.61 4.02 -0.16 -4.58 115.29 113.79 1qkh s HIS 47 Ca 0.27 -0.40 -0.10 0.00 1.02 0.00 0.00 55.06 55.84 1qkh s HIS 47 Cb 0.34 -0.14 0.27 0.00 -1.02 0.00 0.00 32.58 32.02 1qkh s HIS 47 CO -0.10 -0.24 1.06 0.99 1.02 0.00 0.00 174.74 177.47 1qkh s THR 48 N -1.57 5.92 -0.10 1.30 2.01 -1.23 -1.54 115.64 120.43 1qkh s THR 48 Ca -0.14 -3.25 -0.30 0.00 0.31 0.00 0.00 61.69 58.31 1qkh s THR 48 Cb -0.08 -4.59 -0.02 0.00 0.01 0.00 0.00 72.50 67.82 1qkh s THR 48 CO -0.01 -1.17 1.14 -0.63 -0.69 0.00 0.00 174.62 173.26 1qkh s ILE 49 N -0.96 4.46 -1.34 1.82 1.01 -0.58 -2.31 121.20 123.30 1qkh s ILE 49 Ca 0.29 1.76 -0.16 0.00 0.00 0.00 0.00 60.65 62.53 1qkh s ILE 49 Cb -0.10 -4.13 0.07 0.00 0.01 0.00 0.00 42.46 38.31 1qkh s ILE 49 CO -0.08 -0.04 1.86 0.00 0.00 0.00 0.00 174.94 176.68 1qkh n ALA 50 N 5.45 4.20 -1.68 9.38 0.00 0.14 -0.68 120.51 137.32 1qkh n ALA 50 Ca 0.11 -3.90 -0.43 0.00 0.00 0.00 0.00 53.44 49.21 1qkh n ALA 50 Cb 0.47 -3.53 -0.03 0.00 0.00 0.00 0.00 19.45 16.36 1qkh n ALA 50 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1qkh n VAL 51 N 5.79 0.41 -2.32 0.00 0.24 -0.79 -2.21 118.33 119.46 1qkh n VAL 51 Ca 0.49 -0.07 -0.42 0.00 -2.04 0.00 0.00 64.34 62.30 1qkh n VAL 51 Cb 0.43 -2.07 -0.03 0.00 -1.47 0.00 0.00 33.84 30.71 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 2.93 2.20 -1.98 6.34 5.04 -1.25 -1.82 117.35 128.82 1qkh s TYR 52 Ca 0.84 0.54 0.14 0.00 -2.44 0.00 0.00 57.07 56.15 1qkh s TYR 52 Cb -0.52 -4.33 0.85 0.00 0.35 0.00 0.00 41.96 38.31 1qkh s TYR 52 CO 0.39 -2.09 1.28 -1.71 -1.34 0.00 0.00 175.55 172.08 1qkh n ASN 53 N 9.85 0.00 0.00 4.32 5.15 -0.08 -4.31 115.26 130.20 1qkh n ASN 53 Ca 0.15 -0.43 0.00 0.00 -0.60 0.00 0.00 54.58 53.70 1qkh n ASN 53 Cb 0.49 -0.01 0.00 0.00 -0.53 0.00 0.00 39.78 39.73 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 -0.11 2.12 0.00 8.20 0.00 -1.26 -4.83 105.19 109.31 1qkh n GLY 54 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.02 0.73 -4.10 1.61 2.85 -1.26 -5.07 118.16 112.89 1qkh n LYS 55 Ca 0.00 0.00 -0.12 0.00 -1.05 0.00 0.00 58.31 57.14 1qkh n LYS 55 Cb 0.00 -0.50 -0.11 0.00 -0.65 0.00 0.00 35.03 33.77 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 -0.88 0.65 -0.47 -1.58 1.03 -1.26 -5.11 119.66 112.03 1qkh s GLN 56 Ca 0.00 -1.01 -0.16 0.00 0.04 0.00 0.00 55.36 54.23 1qkh s GLN 56 Cb 0.00 -0.21 0.07 0.00 0.03 0.00 0.00 33.01 32.89 1qkh s GLN 56 CO 0.00 0.01 0.43 -1.01 -2.54 0.00 0.00 175.29 172.18 1qkh s HIS 57 N -2.44 3.22 -0.57 9.60 3.76 -1.26 -0.90 115.29 126.69 1qkh s HIS 57 Ca -0.00 -0.85 -0.19 0.00 -0.15 0.00 0.00 55.06 53.87 1qkh s HIS 57 Cb -0.03 -3.20 0.09 0.00 1.11 0.00 0.00 32.58 30.56 1qkh s HIS 57 CO -0.02 -0.82 0.69 0.08 -0.85 0.00 0.00 174.74 173.82 1qkh s VAL 58 N 1.79 4.82 -0.74 -0.90 1.01 -0.75 -4.71 120.40 120.91 1qkh s VAL 58 Ca 0.06 -0.83 -0.26 0.00 0.00 0.00 0.00 61.98 60.95 1qkh s VAL 58 Cb -0.23 -4.44 -0.06 0.00 0.00 0.00 0.00 36.38 31.64 1qkh s VAL 58 CO 0.08 -1.05 2.10 -2.16 0.00 0.00 0.00 175.10 174.07 1qkh s PRO 59 N 2.72 2.28 -0.19 2.72 0.04 -1.25 -1.88 135.00 139.45 1qkh s PRO 59 Ca 0.13 0.38 -0.04 0.00 0.04 0.00 0.00 61.00 61.51 1qkh s PRO 59 Cb -0.22 -4.75 -0.02 0.00 0.04 0.00 0.00 34.50 29.54 1qkh s PRO 59 CO 0.08 -3.44 -0.03 0.08 0.04 0.00 0.00 177.00 173.73 1qkh s VAL 60 N 11.23 3.76 -0.34 -0.36 1.01 0.15 -4.72 120.40 131.12 1qkh s VAL 60 Ca 0.79 -0.39 -0.29 0.00 0.00 0.00 0.00 61.98 62.10 1qkh s VAL 60 Cb -0.11 -2.68 -0.01 0.00 0.00 0.00 0.00 36.38 33.58 1qkh s VAL 60 CO 0.11 0.45 1.64 -0.47 0.00 0.00 0.00 175.10 176.82 1qkh s TYR 61 N 0.90 2.06 0.05 5.22 6.14 -1.25 -1.53 117.35 128.94 1qkh s TYR 61 Ca 0.00 0.63 -0.35 0.00 0.64 0.00 0.00 57.07 57.99 1qkh s TYR 61 Cb -0.14 -4.17 -0.20 0.00 0.42 0.00 0.00 41.96 37.87 1qkh s TYR 61 CO 0.01 -2.61 1.50 0.82 0.64 0.00 0.00 175.55 175.92 1qkh h ILE 62 N 6.60 0.07 -1.89 3.14 5.03 -1.38 -3.48 117.51 125.60 1qkh h ILE 62 Ca -0.32 -0.06 0.19 0.00 -0.12 0.00 0.00 64.86 64.56 1qkh h ILE 62 Cb 1.14 0.08 -0.10 0.00 -3.03 0.00 0.00 36.82 34.91 1qkh h ILE 62 CO 1.04 0.00 -0.67 0.41 -0.68 0.00 0.00 178.15 178.26 1qkh n THR 63 N -5.59 -0.46 -1.30 -0.27 -1.04 -1.09 -2.89 114.28 101.63 1qkh n THR 63 Ca -0.16 0.49 -0.37 0.00 -2.04 0.00 0.00 64.05 61.97 1qkh n THR 63 Cb 0.48 -0.75 -0.02 0.00 -1.82 0.00 0.00 70.33 68.21 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 -3.29 3.24 0.00 -2.82 4.07 -1.25 -3.52 120.64 117.07 1qkh n GLU 64 Ca -0.05 -2.16 0.00 0.00 -0.06 0.00 0.00 57.16 54.89 1qkh n GLU 64 Cb 0.37 -2.85 0.00 0.00 -0.06 0.00 0.00 31.44 28.90 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 4.28 0.00 -1.09 4.31 5.15 -1.26 -4.97 115.26 121.68 1qkh n ASN 65 Ca 0.68 0.00 0.11 0.00 -0.60 0.00 0.00 54.58 54.77 1qkh n ASN 65 Cb 0.25 0.00 0.26 0.00 -0.53 0.00 0.00 39.78 39.76 1qkh n ASN 65 CO 0.00 0.00 0.00 0.23 1.40 0.00 0.00 177.26 178.89 1qkh n MET 66 N -0.13 2.41 -2.66 1.20 2.81 -1.14 -4.97 117.12 114.63 1qkh n MET 66 Ca 0.00 -2.15 -0.25 0.00 -1.81 0.00 0.00 57.70 53.49 1qkh n MET 66 Cb 0.00 -1.50 0.02 0.00 -0.71 0.00 0.00 33.22 31.03 1qkh n MET 66 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1qkh s VAL 67 N -1.42 4.00 0.00 2.03 0.11 -1.26 -4.49 120.40 119.37 1qkh s VAL 67 Ca 0.39 -0.15 0.00 0.00 -2.93 0.00 0.00 61.98 59.29 1qkh s VAL 67 Cb 0.22 -3.53 0.00 0.00 -1.53 0.00 0.00 36.38 31.54 1qkh s VAL 67 CO 0.30 -0.48 0.00 0.61 -3.33 0.00 0.00 175.10 172.20 1qkh n GLY 68 N -2.34 1.75 0.00 6.54 0.00 -1.26 -4.98 105.19 104.90 1qkh n GLY 68 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.03 0.00 0.00 1.61 8.25 -1.26 -3.41 115.22 119.38 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 -0.03 0.00 0.00 -0.41 0.00 -1.26 -0.93 118.16 115.53 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 0.16 -5.58 -0.00 -1.26 -4.57 117.00 105.74 1qkh n LEU 71 Ca 0.00 0.00 0.13 0.00 -0.00 0.00 0.00 56.01 56.14 1qkh n LEU 71 Cb 0.00 0.00 0.51 0.00 -0.00 0.00 0.00 43.42 43.93 1qkh n LEU 71 CO 0.00 0.00 0.88 1.23 -0.00 0.00 0.00 177.39 179.50 1qkh h GLY 72 N 0.00 0.00 2.00 1.47 0.00 -1.93 -1.42 103.07 103.20 1qkh h GLY 72 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 1qkh h GLY 72 CO 0.00 0.00 -0.15 0.83 0.00 0.00 0.00 176.54 177.22 1qkh h GLU 73 N 0.00 0.00 0.00 4.80 4.39 -1.94 -1.17 114.58 120.67 1qkh h GLU 73 Ca 0.00 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.58 1qkh h GLU 73 Cb 0.43 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.06 1qkh h GLU 73 CO 0.00 0.15 -1.79 1.19 -1.16 0.00 0.00 179.01 177.39 1qkh n PHE 74 N -3.15 0.38 -2.86 4.33 3.01 -0.78 -4.48 117.46 113.90 1qkh n PHE 74 Ca 0.03 0.12 -0.20 0.00 1.01 0.00 0.00 57.45 58.41 1qkh n PHE 74 Cb 0.56 -0.81 -0.01 0.00 -0.01 0.00 0.00 39.48 39.20 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 -2.38 3.62 -1.18 4.37 0.00 -0.60 -4.93 120.51 119.40 1qkh n ALA 75 Ca -0.11 -3.85 -0.18 0.00 0.00 0.00 0.00 53.44 49.30 1qkh n ALA 75 Cb 0.75 -0.81 -0.09 0.00 0.00 0.00 0.00 19.45 19.31 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 2.10 0.10 0.00 -0.04 -0.45 -4.06 135.00 132.57 1qkh n PRO 76 Ca 0.25 -1.59 0.00 0.00 -0.04 0.00 0.00 63.50 62.12 1qkh n PRO 76 Cb 0.63 -1.97 0.00 0.00 -0.04 0.00 0.00 33.50 32.12 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 1.51 0.00 -3.36 0.52 -1.04 -1.26 -5.08 114.28 105.57 1qkh n THR 77 Ca 0.42 0.00 -0.38 0.00 -2.04 0.00 0.00 64.05 62.05 1qkh n THR 77 Cb 0.70 -0.46 -0.07 0.00 -1.82 0.00 0.00 70.33 68.68 1qkh n THR 77 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 1qkh s ARG 78 N -2.00 4.26 -0.27 -2.82 3.00 -1.26 -4.96 118.95 114.90 1qkh s ARG 78 Ca 0.00 0.32 0.20 0.00 0.00 0.00 0.00 55.73 56.25 1qkh s ARG 78 Cb 0.00 -3.48 0.50 0.00 0.00 0.00 0.00 34.95 31.97 1qkh s ARG 78 CO 0.00 0.08 1.12 -2.37 0.00 0.00 0.00 175.30 174.12 1qkh n THR 79 N 3.95 1.48 -0.40 0.02 5.66 -1.26 -5.03 114.28 118.71 1qkh n THR 79 Ca -0.08 -3.16 0.00 0.00 -3.05 0.00 0.00 64.05 57.76 1qkh n THR 79 Cb 0.51 0.85 0.00 0.00 -1.55 0.00 0.00 70.33 70.14 1qkh n THR 79 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02