#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qkh s VAL 9 N 0.00 0.40 0.03 1.61 0.11 -1.26 -5.01 120.40 116.29 1qkh s VAL 9 Ca 0.00 -0.13 0.05 0.00 -2.93 0.00 0.00 61.98 58.97 1qkh s VAL 9 Cb 0.00 -0.40 -0.02 0.00 -1.53 0.00 0.00 36.38 34.43 1qkh s VAL 9 CO 0.00 0.15 -0.15 0.12 -3.33 0.00 0.00 175.10 171.89 1qkh s PHE 10 N 0.41 1.32 -0.30 1.54 2.19 -1.24 -5.07 117.98 116.83 1qkh s PHE 10 Ca -0.05 -0.33 -0.09 0.00 0.33 0.00 0.00 56.93 56.79 1qkh s PHE 10 Cb -0.08 -0.80 -0.01 0.00 -1.31 0.00 0.00 43.02 40.82 1qkh s PHE 10 CO -0.00 0.03 0.14 0.54 1.83 0.00 0.00 175.22 177.76 1qkh s VAL 11 N -0.74 4.59 -0.53 3.12 0.11 -1.26 -1.43 120.40 124.24 1qkh s VAL 11 Ca 0.03 -0.37 -0.33 0.00 -2.93 0.00 0.00 61.98 58.39 1qkh s VAL 11 Cb -0.08 -3.31 -0.13 0.00 -1.53 0.00 0.00 36.38 31.34 1qkh s VAL 11 CO 0.01 0.11 2.35 -0.67 -3.33 0.00 0.00 175.10 173.57 1qkh n ASP 12 N 4.98 1.69 0.26 3.54 2.03 -1.26 -4.74 116.55 123.05 1qkh n ASP 12 Ca -0.14 0.16 0.12 0.00 0.52 0.00 0.00 54.79 55.45 1qkh n ASP 12 Cb 0.49 -1.24 0.72 0.00 -0.72 0.00 0.00 41.12 40.37 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 13.80 0.00 0.21 1.67 3.58 -1.96 -0.94 116.42 132.78 1qkh h ASP 13 Ca -0.21 0.00 -0.08 0.00 0.42 0.00 0.00 57.03 57.17 1qkh h ASP 13 Cb 1.31 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.35 1qkh h ASP 13 CO 1.14 0.12 -0.30 -0.74 -2.88 0.00 0.00 179.24 176.58 1qkh h HIS 14 N 0.00 0.17 0.11 0.28 2.76 -1.97 -0.66 115.15 115.83 1qkh h HIS 14 Ca -0.00 -0.03 -0.27 0.00 -2.20 0.00 0.00 60.37 57.87 1qkh h HIS 14 Cb 0.33 -0.04 0.01 0.00 1.55 0.00 0.00 27.41 29.26 1qkh h HIS 14 CO 0.00 0.44 -1.18 1.37 -1.30 0.00 0.00 177.93 177.26 1qkh h LEU 15 N 0.14 0.47 -0.57 0.26 8.10 -1.45 -3.25 115.31 119.01 1qkh h LEU 15 Ca 0.02 -0.47 -0.03 0.00 0.11 0.00 0.00 57.88 57.50 1qkh h LEU 15 Cb 0.61 -0.15 -0.03 0.00 -0.44 0.00 0.00 40.66 40.65 1qkh h LEU 15 CO 0.04 1.34 0.23 -0.07 -4.11 0.00 0.00 178.44 175.88 1qkh h LEU 16 N 0.12 0.78 -2.32 0.17 4.07 -0.96 0.55 115.31 117.72 1qkh h LEU 16 Ca -0.13 -0.17 0.03 0.00 0.08 0.00 0.00 57.88 57.70 1qkh h LEU 16 Cb 1.89 -0.20 -0.00 0.00 1.08 0.00 0.00 40.66 43.42 1qkh h LEU 16 CO 0.20 0.74 0.21 1.05 -1.08 0.00 0.00 178.44 179.55 1qkh h GLU 17 N 0.78 0.00 0.00 1.13 4.11 -1.17 -0.61 114.58 118.82 1qkh h GLU 17 Ca 0.19 0.00 -0.36 0.00 0.07 0.00 0.00 59.36 59.26 1qkh h GLU 17 Cb 0.20 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.38 1qkh h GLU 17 CO -0.02 0.00 -2.33 1.63 0.07 0.00 0.00 179.01 178.36 1qkh n LYS 18 N -3.40 0.68 -0.03 1.06 5.02 -0.65 -4.04 118.16 116.80 1qkh n LYS 18 Ca -0.00 0.04 -0.17 0.00 -2.02 0.00 0.00 58.31 56.15 1qkh n LYS 18 Cb 0.30 -1.55 -0.07 0.00 -0.02 0.00 0.00 35.03 33.69 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 0.00 -0.18 3.04 -0.02 -2.60 116.25 117.76 1qkh h VAL 19 Ca -0.53 -1.95 -0.02 0.00 -1.01 0.00 0.00 66.70 63.19 1qkh h VAL 19 Cb 2.19 1.95 -0.00 0.00 -2.01 0.00 0.00 31.29 33.42 1qkh h VAL 19 CO 0.02 0.62 -0.10 0.17 -1.01 0.00 0.00 177.57 177.27 1qkh h LEU 20 N 0.55 0.00 -0.55 3.16 8.10 -1.36 -0.19 115.31 125.02 1qkh h LEU 20 Ca -0.05 0.00 -0.16 0.00 0.11 0.00 0.00 57.88 57.78 1qkh h LEU 20 Cb 1.39 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 41.60 1qkh h LEU 20 CO 0.16 0.10 -0.67 -0.33 -4.11 0.00 0.00 178.44 173.59 1qkh h GLU 21 N 0.00 0.26 0.00 0.17 5.08 -1.63 -2.28 114.58 116.17 1qkh h GLU 21 Ca -0.00 -0.20 -0.10 0.00 -1.00 0.00 0.00 59.36 58.06 1qkh h GLU 21 Cb 0.29 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 1qkh h GLU 21 CO 0.01 0.83 -0.48 -0.07 -1.00 0.00 0.00 179.01 178.30 1qkh h LEU 22 N 0.18 0.00 0.00 1.33 -0.00 -0.69 -2.67 115.31 113.47 1qkh h LEU 22 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.86 1qkh h LEU 22 Cb 1.20 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.86 1qkh h LEU 22 CO 0.10 0.48 -0.12 0.59 -0.00 0.00 0.00 178.44 179.50 1qkh n ASN 23 N -3.53 0.68 0.10 -0.43 3.02 -0.76 -1.44 115.26 112.89 1qkh n ASN 23 Ca -0.00 0.46 -0.22 0.00 -0.03 0.00 0.00 54.58 54.79 1qkh n ASN 23 Cb 0.59 -0.56 -0.15 0.00 -0.61 0.00 0.00 39.78 39.05 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 2.60 0.07 0.00 5.41 0.00 -1.07 -3.31 119.26 122.96 1qkh h ALA 24 Ca 0.00 -1.04 0.00 0.00 0.00 0.00 0.00 54.91 53.87 1qkh h ALA 24 Cb 0.70 0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1qkh h ALA 24 CO 0.00 0.94 -0.49 0.87 0.00 0.00 0.00 179.25 180.57 1qkh h LYS 25 N 0.11 0.00 0.00 0.00 6.56 -1.56 -3.47 116.57 118.21 1qkh h LYS 25 Ca -0.29 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.30 1qkh h LYS 25 Cb 2.10 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 33.76 1qkh h LYS 25 CO 0.21 0.00 0.00 0.41 -2.06 0.00 0.00 179.45 178.01 1qkh n GLY 26 N 1.15 0.75 3.83 3.86 0.00 -0.70 -5.05 105.19 109.03 1qkh n GLY 26 Ca 0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.52 4.11 -0.45 1.61 2.02 -0.52 -4.96 118.70 119.97 1qkh s GLU 27 Ca 0.00 0.77 0.03 0.00 0.02 0.00 0.00 54.97 55.80 1qkh s GLU 27 Cb 0.00 -2.58 0.12 0.00 0.10 0.00 0.00 34.13 31.77 1qkh s GLU 27 CO 0.00 0.23 0.19 0.15 0.02 0.00 0.00 175.26 175.85 1qkh s LYS 28 N -2.64 1.82 0.00 1.61 1.02 -1.26 -4.31 119.74 115.99 1qkh s LYS 28 Ca 0.51 -2.31 0.00 0.00 0.02 0.00 0.00 55.97 54.19 1qkh s LYS 28 Cb -0.12 -3.31 0.00 0.00 -0.52 0.00 0.00 37.83 33.87 1qkh s LYS 28 CO 0.18 -1.05 0.00 -2.13 -0.92 0.00 0.00 175.35 171.44 1qkh n ARG 29 N 3.61 3.90 -4.31 1.68 0.63 -1.26 -4.91 116.66 116.01 1qkh n ARG 29 Ca 0.05 0.00 -0.31 0.00 -0.92 0.00 0.00 57.85 56.67 1qkh n ARG 29 Cb 0.36 0.00 -0.10 0.00 0.45 0.00 0.00 32.46 33.18 1qkh n ARG 29 CO 0.00 0.00 0.00 -0.48 -2.51 0.00 0.00 177.63 174.64 1qkh s LEU 30 N 0.00 3.22 -0.18 6.15 2.34 -1.26 -2.05 118.68 126.89 1qkh s LEU 30 Ca 0.00 -0.21 0.01 0.00 0.06 0.00 0.00 54.13 53.99 1qkh s LEU 30 Cb 0.00 -1.92 0.03 0.00 -0.56 0.00 0.00 46.19 43.74 1qkh s LEU 30 CO 0.00 0.23 -0.16 -0.63 -1.06 0.00 0.00 176.35 174.73 1qkh s ILE 31 N -1.14 1.88 0.55 1.48 1.09 -0.98 -4.93 121.20 119.15 1qkh s ILE 31 Ca 0.20 -0.95 -0.10 0.00 -1.10 0.00 0.00 60.65 58.70 1qkh s ILE 31 Cb -0.11 -1.79 -0.04 0.00 -1.06 0.00 0.00 42.46 39.46 1qkh s ILE 31 CO 0.12 0.39 0.94 -0.54 -0.10 0.00 0.00 174.94 175.75 1qkh s LYS 32 N 1.34 3.63 0.05 2.79 3.01 -1.26 -0.33 119.74 128.96 1qkh s LYS 32 Ca 0.02 0.59 -0.01 0.00 -1.01 0.00 0.00 55.97 55.57 1qkh s LYS 32 Cb -0.14 -2.19 -0.04 0.00 -1.01 0.00 0.00 37.83 34.45 1qkh s LYS 32 CO -0.11 -0.39 -0.03 0.99 0.51 0.00 0.00 175.35 176.32 1qkh s THR 33 N -2.93 0.23 -0.25 2.17 2.01 -0.86 -4.61 115.64 111.40 1qkh s THR 33 Ca 0.53 -1.68 0.19 0.00 0.31 0.00 0.00 61.69 61.04 1qkh s THR 33 Cb -0.11 -1.34 0.45 0.00 0.01 0.00 0.00 72.50 71.51 1qkh s THR 33 CO 0.47 -0.92 1.24 0.79 -0.69 0.00 0.00 174.62 175.52 1qkh n TRP 34 N 0.32 0.09 0.00 4.92 8.01 -1.26 -3.90 117.44 125.62 1qkh n TRP 34 Ca -0.15 -1.81 0.00 0.00 -1.31 0.00 0.00 57.50 54.23 1qkh n TRP 34 Cb 0.60 0.35 0.00 0.00 -2.01 0.00 0.00 31.31 30.26 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 -0.78 0.00 0.11 -0.99 7.64 -1.26 -5.05 113.62 113.29 1qkh n SER 35 Ca -0.02 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.86 1qkh n SER 35 Cb 0.85 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.05 1qkh n SER 35 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1qkh n ARG 36 N 0.00 0.00 -0.68 1.43 3.00 -1.26 -4.74 116.66 114.40 1qkh n ARG 36 Ca 0.00 0.00 -0.07 0.00 -0.01 0.00 0.00 57.85 57.77 1qkh n ARG 36 Cb 0.00 0.00 0.18 0.00 0.00 0.00 0.00 32.46 32.64 1qkh n ARG 36 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 1qkh n ARG 37 N -3.03 2.52 -0.92 5.56 1.74 -1.26 -4.07 116.66 117.21 1qkh n ARG 37 Ca 0.00 -1.93 -0.38 0.00 -0.77 0.00 0.00 57.85 54.77 1qkh n ARG 37 Cb 0.00 -1.85 -0.06 0.00 -1.02 0.00 0.00 32.46 29.53 1qkh n ARG 37 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1qkh n SER 38 N -0.13 0.62 -4.39 0.55 7.64 -1.24 -3.59 113.62 113.09 1qkh n SER 38 Ca 0.29 0.60 -0.20 0.00 1.01 0.00 0.00 58.87 60.56 1qkh n SER 38 Cb 1.07 -0.51 -0.10 0.00 -1.01 0.00 0.00 64.21 63.66 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 2.26 1.98 0.63 0.44 2.01 -0.52 -4.57 115.64 117.88 1qkh s THR 39 Ca 0.63 -2.27 -0.03 0.00 0.31 0.00 0.00 61.69 60.32 1qkh s THR 39 Cb -0.86 -2.13 0.05 0.00 0.01 0.00 0.00 72.50 69.57 1qkh s THR 39 CO 0.44 -0.53 0.91 -0.63 -0.69 0.00 0.00 174.62 174.12 1qkh s ILE 40 N -2.81 2.57 0.24 1.82 1.09 -1.26 -4.15 121.20 118.70 1qkh s ILE 40 Ca 0.25 -0.40 0.02 0.00 -1.10 0.00 0.00 60.65 59.41 1qkh s ILE 40 Cb -0.02 -3.05 -0.04 0.00 -1.06 0.00 0.00 42.46 38.29 1qkh s ILE 40 CO 0.09 -0.04 0.18 0.68 -0.10 0.00 0.00 174.94 175.75 1qkh s VAL 41 N -3.03 0.00 0.40 2.92 -7.23 -1.26 -4.30 120.40 107.90 1qkh s VAL 41 Ca 0.58 -2.00 0.13 0.00 -1.81 0.00 0.00 61.98 58.89 1qkh s VAL 41 Cb -0.11 -2.50 0.13 0.00 0.56 0.00 0.00 36.38 34.46 1qkh s VAL 41 CO 0.42 0.00 1.89 1.55 -0.31 0.00 0.00 175.10 178.65 1qkh h PRO 42 N 2.47 0.01 0.00 4.82 0.13 -1.98 -2.07 132.00 135.38 1qkh h PRO 42 Ca -0.32 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 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 0.48 0.31 0.00 -0.85 -0.23 0.00 0.00 178.00 177.70 1qkh n GLU 43 N -4.18 0.90 0.00 0.86 0.28 -1.26 -3.01 120.64 114.23 1qkh n GLU 43 Ca -0.02 0.00 0.05 0.00 -0.16 0.00 0.00 57.16 57.03 1qkh n GLU 43 Cb 0.34 -1.25 0.03 0.00 1.43 0.00 0.00 31.44 32.00 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 -0.75 0.63 0.00 3.44 2.81 -0.78 -4.68 117.12 117.80 1qkh n MET 44 Ca 0.11 -1.01 0.00 0.00 -1.81 0.00 0.00 57.70 54.99 1qkh n MET 44 Cb 0.05 -1.17 0.00 0.00 -0.71 0.00 0.00 33.22 31.39 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 0.43 0.06 -2.58 2.03 3.14 -1.16 -1.03 118.33 119.21 1qkh n VAL 45 Ca 0.05 0.21 0.01 0.00 -2.96 0.00 0.00 64.34 61.65 1qkh n VAL 45 Cb 0.24 -1.21 0.04 0.00 -1.06 0.00 0.00 33.84 31.85 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 -0.75 1.92 3.12 7.55 0.00 -1.26 -2.10 105.19 113.66 1qkh n GLY 46 Ca 0.00 -1.08 -0.10 0.00 0.00 0.00 0.00 46.02 44.84 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 -2.17 0.13 -0.76 1.61 4.02 -0.20 -4.44 115.29 113.48 1qkh s HIS 47 Ca 0.32 -0.35 -0.15 0.00 1.02 0.00 0.00 55.06 55.90 1qkh s HIS 47 Cb 0.36 -0.10 0.20 0.00 -1.02 0.00 0.00 32.58 32.02 1qkh s HIS 47 CO -0.09 -0.35 0.71 0.99 1.02 0.00 0.00 174.74 177.03 1qkh s THR 48 N -2.19 5.51 -0.24 1.30 2.01 -0.87 0.07 115.64 121.23 1qkh s THR 48 Ca -0.08 -2.23 -0.21 0.00 0.31 0.00 0.00 61.69 59.47 1qkh s THR 48 Cb -0.03 -4.45 -0.02 0.00 0.01 0.00 0.00 72.50 68.01 1qkh s THR 48 CO -0.02 -1.00 0.66 -0.63 -0.69 0.00 0.00 174.62 172.93 1qkh s ILE 49 N 0.54 4.97 -1.24 1.82 1.01 -0.12 -2.32 121.20 125.86 1qkh s ILE 49 Ca 0.15 1.21 -0.19 0.00 0.00 0.00 0.00 60.65 61.82 1qkh s ILE 49 Cb -0.15 -3.97 -0.00 0.00 0.01 0.00 0.00 42.46 38.36 1qkh s ILE 49 CO -0.06 0.03 1.90 0.00 0.00 0.00 0.00 174.94 176.81 1qkh n ALA 50 N 5.61 3.44 -1.69 9.38 0.00 0.55 -1.31 120.51 136.48 1qkh n ALA 50 Ca 0.00 -3.58 -0.44 0.00 0.00 0.00 0.00 53.44 49.42 1qkh n ALA 50 Cb 0.49 -3.57 -0.03 0.00 0.00 0.00 0.00 19.45 16.34 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 6.48 0.45 -2.43 0.00 0.24 -0.80 -2.02 118.33 120.25 1qkh n VAL 51 Ca 0.49 -0.11 -0.42 0.00 -2.04 0.00 0.00 64.34 62.26 1qkh n VAL 51 Cb 0.44 -1.67 -0.03 0.00 -1.47 0.00 0.00 33.84 31.11 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 0.52 2.32 -2.00 6.34 5.04 -1.25 -1.53 117.35 126.78 1qkh s TYR 52 Ca 0.72 0.41 0.16 0.00 -2.44 0.00 0.00 57.07 55.92 1qkh s TYR 52 Cb -0.61 -4.43 0.94 0.00 0.35 0.00 0.00 41.96 38.21 1qkh s TYR 52 CO 0.42 -1.93 1.35 -1.71 -1.34 0.00 0.00 175.55 172.33 1qkh n ASN 53 N 9.46 0.00 0.00 4.32 5.15 0.04 -4.00 115.26 130.23 1qkh n ASN 53 Ca 0.11 -0.53 0.00 0.00 -0.60 0.00 0.00 54.58 53.56 1qkh n ASN 53 Cb 0.49 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.74 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 0.02 1.55 0.00 8.20 0.00 -1.26 -4.81 105.19 108.89 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 0.62 -4.25 1.61 0.00 -1.26 -5.03 118.16 109.84 1qkh n LYS 55 Ca 0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 58.31 58.14 1qkh n LYS 55 Cb 0.00 -0.49 -0.11 0.00 -0.00 0.00 0.00 35.03 34.43 1qkh n LYS 55 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.40 178.54 1qkh s GLN 56 N -0.89 1.04 -0.47 -1.58 1.03 -1.26 -5.11 119.66 112.41 1qkh s GLN 56 Ca 0.00 -1.28 -0.15 0.00 0.04 0.00 0.00 55.36 53.97 1qkh s GLN 56 Cb 0.00 -0.88 0.08 0.00 0.03 0.00 0.00 33.01 32.24 1qkh s GLN 56 CO 0.00 0.16 0.39 -1.01 -2.54 0.00 0.00 175.29 172.29 1qkh s HIS 57 N -2.33 3.26 -0.58 9.60 3.76 -1.26 -0.78 115.29 126.95 1qkh s HIS 57 Ca 0.10 -1.03 -0.19 0.00 -0.15 0.00 0.00 55.06 53.79 1qkh s HIS 57 Cb -0.04 -3.19 0.09 0.00 1.11 0.00 0.00 32.58 30.55 1qkh s HIS 57 CO 0.03 -0.82 0.72 0.08 -0.85 0.00 0.00 174.74 173.90 1qkh s VAL 58 N 1.61 4.76 -0.86 -0.90 1.01 -0.58 -4.71 120.40 120.74 1qkh s VAL 58 Ca 0.04 -0.80 -0.25 0.00 0.00 0.00 0.00 61.98 60.96 1qkh s VAL 58 Cb -0.25 -4.48 -0.08 0.00 0.00 0.00 0.00 36.38 31.58 1qkh s VAL 58 CO 0.06 -1.11 2.12 -2.16 0.00 0.00 0.00 175.10 174.01 1qkh s PRO 59 N 2.86 2.20 -0.21 2.72 0.04 -1.25 -1.91 135.00 139.45 1qkh s PRO 59 Ca 0.14 0.01 -0.09 0.00 0.04 0.00 0.00 61.00 61.10 1qkh s PRO 59 Cb -0.22 -4.95 -0.05 0.00 0.04 0.00 0.00 34.50 29.32 1qkh s PRO 59 CO 0.08 -3.76 0.11 0.14 0.04 0.00 0.00 177.00 173.61 1qkh s VAL 60 N 11.81 5.09 -0.30 -0.36 -7.23 -0.42 -4.65 120.40 124.33 1qkh s VAL 60 Ca 0.78 0.08 -0.29 0.00 -1.81 0.00 0.00 61.98 60.75 1qkh s VAL 60 Cb -0.09 -3.33 -0.02 0.00 0.56 0.00 0.00 36.38 33.50 1qkh s VAL 60 CO 0.03 0.41 1.67 -0.47 -0.31 0.00 0.00 175.10 176.42 1qkh s TYR 61 N 0.68 2.02 0.16 2.82 6.14 -1.25 -0.94 117.35 126.97 1qkh s TYR 61 Ca 0.06 0.60 -0.19 0.00 0.64 0.00 0.00 57.07 58.18 1qkh s TYR 61 Cb -0.13 -4.10 0.08 0.00 0.42 0.00 0.00 41.96 38.23 1qkh s TYR 61 CO 0.01 -2.80 1.65 0.82 0.64 0.00 0.00 175.55 175.87 1qkh h ILE 62 N 6.50 0.49 -3.30 3.14 1.08 -0.52 -3.46 117.51 121.44 1qkh h ILE 62 Ca -0.33 0.00 0.36 0.00 -0.39 0.00 0.00 64.86 64.51 1qkh h ILE 62 Cb 1.15 0.49 -0.14 0.00 -3.07 0.00 0.00 36.82 35.25 1qkh h ILE 62 CO 1.03 0.00 -0.89 0.41 -0.69 0.00 0.00 178.15 178.00 1qkh n THR 63 N -5.35 -0.01 1.89 -0.27 -1.04 -0.89 -2.39 114.28 106.23 1qkh n THR 63 Ca 0.01 0.49 0.11 0.00 -2.04 0.00 0.00 64.05 62.62 1qkh n THR 63 Cb 0.26 -0.96 0.64 0.00 -1.82 0.00 0.00 70.33 68.45 1qkh n THR 63 CO 0.00 0.00 0.00 -1.84 -0.64 0.00 0.00 175.07 172.59 1qkh n GLU 64 N -4.28 1.11 0.00 -2.82 -0.00 -1.24 -4.00 120.64 109.41 1qkh n GLU 64 Ca -0.04 -0.16 0.00 0.00 -0.00 0.00 0.00 57.16 56.96 1qkh n GLU 64 Cb 0.66 -1.37 0.00 0.00 -0.00 0.00 0.00 31.44 30.73 1qkh n GLU 64 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.13 177.40 1qkh n ASN 65 N -0.68 0.00 -0.00 -1.84 0.23 -1.26 -4.85 115.26 106.85 1qkh n ASN 65 Ca 0.17 -1.00 0.11 0.00 -0.53 0.00 0.00 54.58 53.33 1qkh n ASN 65 Cb 0.12 0.00 -0.14 0.00 -2.08 0.00 0.00 39.78 37.67 1qkh n ASN 65 CO 0.00 0.00 0.00 0.23 -0.93 0.00 0.00 177.26 176.56 1qkh n MET 66 N 0.00 0.33 -1.50 -3.83 2.81 -1.00 -4.98 117.12 108.95 1qkh n MET 66 Ca 0.00 -0.10 -0.29 0.00 -1.81 0.00 0.00 57.70 55.50 1qkh n MET 66 Cb 0.30 -1.51 0.13 0.00 -0.71 0.00 0.00 33.22 31.43 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 -3.26 2.25 0.00 2.03 0.11 -1.09 -4.42 120.40 116.02 1qkh s VAL 67 Ca -0.00 0.08 0.00 0.00 -2.93 0.00 0.00 61.98 59.13 1qkh s VAL 67 Cb 0.15 -2.80 0.00 0.00 -1.53 0.00 0.00 36.38 32.20 1qkh s VAL 67 CO 0.89 -0.10 0.00 0.61 -3.33 0.00 0.00 175.10 173.16 1qkh n GLY 68 N -2.06 1.00 0.00 6.54 0.00 -1.26 -5.01 105.19 104.41 1qkh n GLY 68 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.52 0.00 0.00 1.61 8.25 -1.26 -4.99 115.22 118.31 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 -4.37 118.16 111.62 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 0.25 -5.58 -0.00 -1.26 -4.56 117.00 105.84 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 0.67 0.00 -0.00 0.00 0.00 43.42 44.09 1qkh n LEU 71 CO 0.00 0.00 0.97 1.23 -0.00 0.00 0.00 177.39 179.59 1qkh h GLY 72 N 0.00 0.00 1.53 1.47 0.00 -1.93 0.74 103.07 104.88 1qkh h GLY 72 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.27 1qkh h GLY 72 CO 0.00 0.00 -0.69 0.83 0.00 0.00 0.00 176.54 176.68 1qkh h GLU 73 N 0.00 0.00 0.00 4.80 4.39 -1.94 -2.14 114.58 119.69 1qkh h GLU 73 Ca 0.00 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.64 1qkh h GLU 73 Cb 0.45 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.09 1qkh h GLU 73 CO 0.00 0.20 -1.62 1.19 -1.16 0.00 0.00 179.01 177.62 1qkh n PHE 74 N -2.98 0.47 -2.86 4.33 3.01 -0.90 -4.45 117.46 114.08 1qkh n PHE 74 Ca -0.00 0.14 -0.18 0.00 1.01 0.00 0.00 57.45 58.41 1qkh n PHE 74 Cb 0.66 -0.79 -0.01 0.00 -0.01 0.00 0.00 39.48 39.33 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 -2.30 3.46 -1.23 4.37 0.00 0.21 -4.94 120.51 120.08 1qkh n ALA 75 Ca -0.06 -3.72 -0.19 0.00 0.00 0.00 0.00 53.44 49.47 1qkh n ALA 75 Cb 0.66 -0.83 -0.12 0.00 0.00 0.00 0.00 19.45 19.16 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 -0.05 2.19 -1.85 0.00 -0.04 -0.81 -4.49 135.00 129.96 1qkh n PRO 76 Ca 0.24 -1.62 -0.29 0.00 -0.04 0.00 0.00 63.50 61.79 1qkh n PRO 76 Cb 0.66 -2.07 0.04 0.00 -0.04 0.00 0.00 33.50 32.09 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 1.77 2.92 -3.69 0.52 -1.04 -1.26 -4.99 114.28 108.52 1qkh n THR 77 Ca 0.46 -3.91 -0.14 0.00 -2.04 0.00 0.00 64.05 58.42 1qkh n THR 77 Cb 0.75 -1.17 -0.09 0.00 -1.82 0.00 0.00 70.33 68.01 1qkh n THR 77 CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 1qkh s ARG 78 N -3.69 0.67 -0.23 -2.82 3.52 -1.26 -5.07 118.95 110.07 1qkh s ARG 78 Ca 0.55 0.47 -0.18 0.00 -0.13 0.00 0.00 55.73 56.44 1qkh s ARG 78 Cb 0.44 0.32 -0.17 0.00 -1.56 0.00 0.00 34.95 33.98 1qkh s ARG 78 CO -0.03 -0.13 0.03 2.41 -0.81 0.00 0.00 175.30 176.77 1qkh n THR 79 N 2.24 1.54 -0.39 4.11 -1.04 -1.26 -5.22 114.28 114.26 1qkh n THR 79 Ca -0.16 -0.17 0.00 0.00 -2.04 0.00 0.00 64.05 61.68 1qkh n THR 79 Cb 0.56 -1.97 0.00 0.00 -1.82 0.00 0.00 70.33 67.10 1qkh n THR 79 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43