#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 4.47 -0.04 1.61 0.11 -1.26 -5.07 120.40 120.22 1qkh s VAL 9 Ca 0.00 1.33 0.03 0.00 -2.93 0.00 0.00 61.98 60.41 1qkh s VAL 9 Cb 0.00 -3.63 0.00 0.00 -1.53 0.00 0.00 36.38 31.22 1qkh s VAL 9 CO 0.00 -0.40 -0.13 0.12 -3.33 0.00 0.00 175.10 171.36 1qkh s PHE 10 N -2.27 1.34 -0.33 1.54 5.36 -1.26 -5.09 117.98 117.27 1qkh s PHE 10 Ca 0.60 -0.38 -0.11 0.00 -0.96 0.00 0.00 56.93 56.07 1qkh s PHE 10 Cb -0.09 -0.93 -0.01 0.00 -0.34 0.00 0.00 43.02 41.64 1qkh s PHE 10 CO 0.18 -0.15 0.20 0.54 -1.46 0.00 0.00 175.22 174.54 1qkh s VAL 11 N 0.19 5.00 -0.54 3.12 0.11 -1.26 -1.76 120.40 125.27 1qkh s VAL 11 Ca -0.05 -0.29 -0.36 0.00 -2.93 0.00 0.00 61.98 58.35 1qkh s VAL 11 Cb -0.11 -3.55 -0.15 0.00 -1.53 0.00 0.00 36.38 31.04 1qkh s VAL 11 CO 0.02 0.03 2.30 -0.67 -3.33 0.00 0.00 175.10 173.45 1qkh n ASP 12 N 5.05 1.37 0.23 3.54 2.03 -1.25 -4.76 116.55 122.76 1qkh n ASP 12 Ca -0.13 0.36 0.10 0.00 0.52 0.00 0.00 54.79 55.64 1qkh n ASP 12 Cb 0.50 -1.12 0.52 0.00 -0.72 0.00 0.00 41.12 40.30 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 11.98 0.00 0.27 1.67 3.58 -1.94 -2.53 116.42 129.45 1qkh h ASP 13 Ca -0.17 0.00 -0.04 0.00 0.42 0.00 0.00 57.03 57.24 1qkh h ASP 13 Cb 1.34 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.39 1qkh h ASP 13 CO 1.13 0.22 -0.20 -0.74 -2.88 0.00 0.00 179.24 176.77 1qkh h HIS 14 N 0.00 0.00 0.07 0.28 2.76 -1.99 -1.26 115.15 115.00 1qkh h HIS 14 Ca -0.00 0.00 -0.27 0.00 -2.20 0.00 0.00 60.37 57.90 1qkh h HIS 14 Cb 0.65 0.00 0.02 0.00 1.55 0.00 0.00 27.41 29.62 1qkh h HIS 14 CO 0.00 0.20 -1.12 1.37 -1.30 0.00 0.00 177.93 177.08 1qkh h LEU 15 N 0.00 0.70 -0.27 0.26 8.10 -1.78 -3.26 115.31 119.07 1qkh h LEU 15 Ca -0.00 -0.62 0.00 0.00 0.11 0.00 0.00 57.88 57.37 1qkh h LEU 15 Cb 0.39 -0.22 -0.01 0.00 -0.44 0.00 0.00 40.66 40.38 1qkh h LEU 15 CO 0.03 1.43 0.17 -0.07 -4.11 0.00 0.00 178.44 175.88 1qkh h LEU 16 N 0.25 0.31 -1.87 0.17 4.07 -1.33 0.24 115.31 117.15 1qkh h LEU 16 Ca -0.14 -0.03 0.07 0.00 0.08 0.00 0.00 57.88 57.86 1qkh h LEU 16 Cb 1.78 -0.08 -0.01 0.00 1.08 0.00 0.00 40.66 43.43 1qkh h LEU 16 CO 0.20 0.25 0.45 1.05 -1.08 0.00 0.00 178.44 179.31 1qkh h GLU 17 N 0.35 0.00 0.00 1.13 4.11 -1.30 0.51 114.58 119.38 1qkh h GLU 17 Ca 0.10 0.00 -0.15 0.00 0.07 0.00 0.00 59.36 59.37 1qkh h GLU 17 Cb -0.01 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.21 1qkh h GLU 17 CO -0.02 0.00 -1.95 1.63 0.07 0.00 0.00 179.01 178.74 1qkh n LYS 18 N -3.29 0.98 0.11 1.06 5.02 -0.57 -4.21 118.16 117.26 1qkh n LYS 18 Ca 0.04 -0.08 -0.18 0.00 -2.02 0.00 0.00 58.31 56.07 1qkh n LYS 18 Cb 0.57 -1.41 -0.14 0.00 -0.02 0.00 0.00 35.03 34.03 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 1.45 -0.50 -0.18 3.04 0.11 -2.84 116.25 117.33 1qkh h VAL 19 Ca -0.23 -2.96 -0.05 0.00 -1.01 0.00 0.00 66.70 62.46 1qkh h VAL 19 Cb 1.42 2.95 -0.02 0.00 -2.01 0.00 0.00 31.29 33.62 1qkh h VAL 19 CO 0.01 0.87 0.11 -0.07 -1.01 0.00 0.00 177.57 177.48 1qkh h LEU 20 N 0.10 0.72 -1.41 3.16 3.38 -1.21 0.36 115.31 120.41 1qkh h LEU 20 Ca -0.16 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.66 1qkh h LEU 20 Cb 2.00 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 42.54 1qkh h LEU 20 CO 0.22 0.72 0.15 -0.33 0.09 0.00 0.00 178.44 179.29 1qkh h GLU 21 N 0.75 0.55 0.00 1.13 5.08 -1.72 0.15 114.58 120.51 1qkh h GLU 21 Ca 0.16 -0.07 -0.14 0.00 -1.00 0.00 0.00 59.36 58.31 1qkh h GLU 21 Cb 0.30 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 1qkh h GLU 21 CO 0.00 0.46 -0.67 -0.07 -1.00 0.00 0.00 179.01 177.73 1qkh h LEU 22 N 0.55 0.00 0.00 1.33 4.07 -0.83 -2.76 115.31 117.67 1qkh h LEU 22 Ca 0.13 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.09 1qkh h LEU 22 Cb 0.12 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.86 1qkh h LEU 22 CO -0.01 0.67 -0.24 0.59 -1.08 0.00 0.00 178.44 178.37 1qkh n ASN 23 N -3.32 0.35 -0.00 -0.43 3.02 -0.06 -0.84 115.26 113.99 1qkh n ASN 23 Ca 0.01 0.22 -0.22 0.00 -0.03 0.00 0.00 54.58 54.56 1qkh n ASN 23 Cb 0.78 -0.21 -0.14 0.00 -0.61 0.00 0.00 39.78 39.61 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 0.38 0.00 5.41 0.00 -0.61 -3.40 119.26 123.92 1qkh h ALA 24 Ca 0.00 -1.34 -0.26 0.00 0.00 0.00 0.00 54.91 53.31 1qkh h ALA 24 Cb 0.56 0.69 -0.05 0.00 0.00 0.00 0.00 17.79 18.99 1qkh h ALA 24 CO 0.00 1.20 -2.23 0.36 0.00 0.00 0.00 179.25 178.58 1qkh n LYS 25 N -3.62 0.68 0.00 0.00 -0.00 -1.05 -5.00 118.16 109.16 1qkh n LYS 25 Ca -0.31 -0.05 0.00 0.00 -0.00 0.00 0.00 58.31 57.95 1qkh n LYS 25 Cb 1.00 -1.54 0.00 0.00 -0.00 0.00 0.00 35.03 34.49 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 1.60 1.82 3.73 2.58 0.00 -0.02 -5.09 105.19 109.81 1qkh n GLY 26 Ca -0.24 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.37 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 -0.55 4.72 -0.72 1.61 0.41 -0.29 -4.98 118.70 118.89 1qkh s GLU 27 Ca 0.00 1.49 0.03 0.00 -0.41 0.00 0.00 54.97 56.08 1qkh s GLU 27 Cb 0.00 -3.35 0.32 0.00 -1.78 0.00 0.00 34.13 29.33 1qkh s GLU 27 CO 0.00 0.26 1.16 1.63 -0.49 0.00 0.00 175.26 177.82 1qkh n LYS 28 N 2.47 3.75 0.00 1.61 5.02 -1.26 -4.66 118.16 125.10 1qkh n LYS 28 Ca 0.01 -4.78 0.00 0.00 -2.02 0.00 0.00 58.31 51.52 1qkh n LYS 28 Cb 0.48 -2.31 0.00 0.00 -0.02 0.00 0.00 35.03 33.18 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 0.02 3.74 -4.38 1.97 0.63 -1.26 -4.94 116.66 112.44 1qkh n ARG 29 Ca 0.34 0.00 -0.26 0.00 -0.92 0.00 0.00 57.85 57.02 1qkh n ARG 29 Cb 0.36 0.00 -0.10 0.00 0.45 0.00 0.00 32.46 33.17 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 2.71 -0.18 6.15 0.05 -1.26 -2.86 118.68 123.29 1qkh s LEU 30 Ca 0.00 -0.80 -0.00 0.00 0.05 0.00 0.00 54.13 53.38 1qkh s LEU 30 Cb 0.00 -1.35 0.04 0.00 -2.05 0.00 0.00 46.19 42.83 1qkh s LEU 30 CO 0.00 0.08 -0.06 -0.63 -0.55 0.00 0.00 176.35 175.19 1qkh s ILE 31 N -1.97 1.26 0.15 1.48 1.01 -0.67 -4.93 121.20 117.53 1qkh s ILE 31 Ca 0.25 -0.77 0.07 0.00 0.00 0.00 0.00 60.65 60.20 1qkh s ILE 31 Cb -0.07 -1.43 -0.04 0.00 0.01 0.00 0.00 42.46 40.93 1qkh s ILE 31 CO 0.14 0.11 -0.01 -1.59 0.00 0.00 0.00 174.94 173.59 1qkh s LYS 32 N 1.56 2.42 0.12 2.79 0.00 -1.26 0.59 119.74 125.96 1qkh s LYS 32 Ca -0.00 -1.03 0.01 0.00 0.00 0.00 0.00 55.97 54.95 1qkh s LYS 32 Cb -0.16 -2.40 -0.00 0.00 0.00 0.00 0.00 37.83 35.27 1qkh s LYS 32 CO -0.08 0.48 0.14 -2.37 0.00 0.00 0.00 175.35 173.52 1qkh n THR 33 N 0.12 0.00 -2.80 3.79 5.66 -1.08 -4.84 114.28 115.13 1qkh n THR 33 Ca -0.10 -0.73 -0.00 0.00 -3.05 0.00 0.00 64.05 60.17 1qkh n THR 33 Cb 0.54 0.40 0.05 0.00 -1.55 0.00 0.00 70.33 69.77 1qkh n THR 33 CO 0.00 0.00 0.00 0.79 -3.05 0.00 0.00 175.07 172.81 1qkh n TRP 34 N -0.21 1.20 0.00 1.09 8.01 -1.26 -4.05 117.44 122.22 1qkh n TRP 34 Ca 0.01 -2.03 0.00 0.00 -1.31 0.00 0.00 57.50 54.17 1qkh n TRP 34 Cb 0.21 -0.23 0.00 0.00 -2.01 0.00 0.00 31.31 29.28 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 -0.53 0.00 0.08 -0.99 7.64 -1.26 -5.00 113.62 113.56 1qkh n SER 35 Ca 0.08 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.96 1qkh n SER 35 Cb 0.83 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.03 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 0.00 -1.46 1.43 3.00 -1.24 -4.68 116.66 113.72 1qkh n ARG 36 Ca 0.00 0.00 -0.29 0.00 -0.00 0.00 0.00 57.85 57.56 1qkh n ARG 36 Cb 0.00 0.00 0.08 0.00 0.00 0.00 0.00 32.46 32.54 1qkh n ARG 36 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.63 180.52 1qkh n ARG 37 N -2.91 2.82 -1.51 -0.14 1.85 -1.26 -2.84 116.66 112.67 1qkh n ARG 37 Ca 0.00 -3.49 -0.62 0.00 -1.00 0.00 0.00 57.85 52.74 1qkh n ARG 37 Cb 0.00 -2.24 -0.10 0.00 -1.05 0.00 0.00 32.46 29.07 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 -0.90 1.18 -4.82 2.89 7.64 -1.25 -4.44 113.62 113.92 1qkh n SER 38 Ca 0.56 0.90 -0.22 0.00 1.01 0.00 0.00 58.87 61.12 1qkh n SER 38 Cb 0.86 -0.94 -0.04 0.00 -1.01 0.00 0.00 64.21 63.07 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 4.65 4.00 0.70 0.44 2.01 -0.72 -4.70 115.64 122.03 1qkh s THR 39 Ca 1.11 -1.44 -0.08 0.00 0.31 0.00 0.00 61.69 61.59 1qkh s THR 39 Cb -1.42 -3.27 0.05 0.00 0.01 0.00 0.00 72.50 67.87 1qkh s THR 39 CO 0.71 -0.28 1.03 -0.63 -0.69 0.00 0.00 174.62 174.76 1qkh s ILE 40 N -2.22 2.70 0.26 1.82 1.09 -1.26 -3.86 121.20 119.73 1qkh s ILE 40 Ca 0.36 -0.06 0.02 0.00 -1.10 0.00 0.00 60.65 59.87 1qkh s ILE 40 Cb -0.07 -3.17 -0.04 0.00 -1.06 0.00 0.00 42.46 38.13 1qkh s ILE 40 CO 0.25 -0.19 0.20 0.68 -0.10 0.00 0.00 174.94 175.78 1qkh s VAL 41 N -3.26 0.00 0.39 2.92 -7.23 -1.26 -4.18 120.40 107.77 1qkh s VAL 41 Ca 0.59 -1.99 0.12 0.00 -1.81 0.00 0.00 61.98 58.89 1qkh s VAL 41 Cb -0.11 -2.50 0.12 0.00 0.56 0.00 0.00 36.38 34.46 1qkh s VAL 41 CO 0.46 0.00 1.87 1.55 -0.31 0.00 0.00 175.10 178.68 1qkh h PRO 42 N 2.41 0.07 0.00 4.82 0.13 -1.98 -1.95 132.00 135.50 1qkh h PRO 42 Ca -0.31 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 1qkh h PRO 42 Cb 1.24 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1qkh h PRO 42 CO 0.46 0.35 0.00 0.39 -0.23 0.00 0.00 178.00 178.96 1qkh n GLU 43 N -4.18 0.36 -0.08 0.86 -0.58 -1.26 -2.68 120.64 113.08 1qkh n GLU 43 Ca -0.02 0.08 0.12 0.00 -0.42 0.00 0.00 57.16 56.92 1qkh n GLU 43 Cb 0.35 -1.50 0.23 0.00 -0.57 0.00 0.00 31.44 29.95 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 -1.23 2.24 0.00 3.49 2.81 -0.73 -4.49 117.12 119.20 1qkh n MET 44 Ca 0.11 -1.83 0.00 0.00 -1.81 0.00 0.00 57.70 54.17 1qkh n MET 44 Cb 0.15 -1.47 0.00 0.00 -0.71 0.00 0.00 33.22 31.18 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 1.12 0.00 -2.42 2.03 3.14 -1.09 -2.44 118.33 118.67 1qkh n VAL 45 Ca 0.17 0.00 -0.01 0.00 -2.96 0.00 0.00 64.34 61.54 1qkh n VAL 45 Cb 0.54 -0.82 0.02 0.00 -1.06 0.00 0.00 33.84 32.51 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 -0.82 1.16 3.16 7.55 0.00 -0.99 -4.15 105.19 111.11 1qkh n GLY 46 Ca 0.00 -0.49 -0.10 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.64 0.15 -0.94 1.61 4.02 -1.02 -4.82 115.29 113.65 1qkh s HIS 47 Ca 0.17 -0.46 -0.12 0.00 1.02 0.00 0.00 55.06 55.67 1qkh s HIS 47 Cb 0.26 -0.09 0.24 0.00 -1.02 0.00 0.00 32.58 31.97 1qkh s HIS 47 CO -0.08 -0.43 0.91 0.99 1.02 0.00 0.00 174.74 177.14 1qkh s THR 48 N -2.96 5.76 -0.30 1.30 2.01 -1.14 -1.16 115.64 119.15 1qkh s THR 48 Ca -0.02 -2.83 -0.19 0.00 0.31 0.00 0.00 61.69 58.96 1qkh s THR 48 Cb 0.01 -4.53 -0.01 0.00 0.01 0.00 0.00 72.50 67.98 1qkh s THR 48 CO -0.06 -1.10 0.56 -0.63 -0.69 0.00 0.00 174.62 172.70 1qkh s ILE 49 N -0.36 5.01 -1.03 1.82 1.09 -0.97 -1.67 121.20 125.08 1qkh s ILE 49 Ca 0.23 0.75 -0.23 0.00 -1.10 0.00 0.00 60.65 60.30 1qkh s ILE 49 Cb -0.10 -3.92 0.04 0.00 -1.06 0.00 0.00 42.46 37.42 1qkh s ILE 49 CO -0.09 -0.07 1.51 0.00 -0.10 0.00 0.00 174.94 176.19 1qkh s ALA 50 N 2.45 2.68 0.09 9.38 0.00 0.20 -2.22 121.76 134.33 1qkh s ALA 50 Ca 0.22 -2.26 -0.31 0.00 0.00 0.00 0.00 51.96 49.61 1qkh s ALA 50 Cb -0.15 -4.54 -0.08 0.00 0.00 0.00 0.00 23.12 18.34 1qkh s ALA 50 CO 0.11 -3.69 1.54 0.14 0.00 0.00 0.00 175.76 173.86 1qkh s VAL 51 N 5.32 3.08 -0.39 0.00 -7.23 -0.98 -2.65 120.40 117.54 1qkh s VAL 51 Ca 0.48 0.66 -0.28 0.00 -1.81 0.00 0.00 61.98 61.03 1qkh s VAL 51 Cb -0.00 -3.42 -0.01 0.00 0.56 0.00 0.00 36.38 33.51 1qkh s VAL 51 CO -0.08 0.02 1.71 -0.47 -0.31 0.00 0.00 175.10 175.97 1qkh s TYR 52 N 1.88 1.93 -1.34 2.82 5.04 -1.26 -2.14 117.35 124.28 1qkh s TYR 52 Ca 0.69 0.65 0.00 0.00 -2.44 0.00 0.00 57.07 55.98 1qkh s TYR 52 Cb -0.39 -4.17 0.00 0.00 0.35 0.00 0.00 41.96 37.75 1qkh s TYR 52 CO 0.31 -2.63 0.53 -1.71 -1.34 0.00 0.00 175.55 170.71 1qkh n ASN 53 N 10.25 0.52 0.00 4.32 5.15 0.43 -3.60 115.26 132.34 1qkh n ASN 53 Ca 0.21 -1.59 0.00 0.00 -0.60 0.00 0.00 54.58 52.60 1qkh n ASN 53 Cb 0.48 -0.26 0.00 0.00 -0.53 0.00 0.00 39.78 39.47 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 0.17 2.45 0.00 8.20 0.00 -1.13 -4.66 105.19 110.22 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 -0.17 1.89 -4.29 1.61 2.85 -1.26 -4.98 118.16 113.81 1qkh n LYS 55 Ca 0.00 0.00 -0.19 0.00 -1.05 0.00 0.00 58.31 57.07 1qkh n LYS 55 Cb 0.00 -0.49 -0.11 0.00 -0.65 0.00 0.00 35.03 33.79 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 -0.68 1.17 -0.27 -1.58 -1.52 -1.26 -5.12 119.66 110.40 1qkh s GLN 56 Ca 0.00 -1.39 -0.15 0.00 -1.95 0.00 0.00 55.36 51.87 1qkh s GLN 56 Cb 0.00 -1.04 -0.04 0.00 -0.22 0.00 0.00 33.01 31.71 1qkh s GLN 56 CO 0.00 0.19 0.38 -1.01 -0.25 0.00 0.00 175.29 174.60 1qkh s HIS 57 N -2.42 3.25 -0.80 0.91 3.76 -1.26 -0.43 115.29 118.30 1qkh s HIS 57 Ca 0.15 0.42 -0.04 0.00 -0.15 0.00 0.00 55.06 55.44 1qkh s HIS 57 Cb -0.03 -2.58 0.20 0.00 1.11 0.00 0.00 32.58 31.28 1qkh s HIS 57 CO 0.05 -0.23 0.67 0.08 -0.85 0.00 0.00 174.74 174.45 1qkh s VAL 58 N 2.08 4.36 -1.01 -0.90 1.01 -0.91 -4.82 120.40 120.21 1qkh s VAL 58 Ca 0.15 -3.34 -0.24 0.00 0.00 0.00 0.00 61.98 58.55 1qkh s VAL 58 Cb -0.16 -3.74 -0.09 0.00 0.00 0.00 0.00 36.38 32.39 1qkh s VAL 58 CO 0.10 -1.01 2.02 -2.16 0.00 0.00 0.00 175.10 174.05 1qkh s PRO 59 N -0.68 2.27 -0.25 2.72 0.04 -1.25 -2.33 135.00 135.51 1qkh s PRO 59 Ca 0.23 -0.52 -0.11 0.00 0.04 0.00 0.00 61.00 60.64 1qkh s PRO 59 Cb -0.13 -5.08 -0.05 0.00 0.04 0.00 0.00 34.50 29.28 1qkh s PRO 59 CO -0.08 -3.96 0.19 0.08 0.04 0.00 0.00 177.00 173.28 1qkh s VAL 60 N 11.75 5.32 -0.59 -0.36 1.01 -0.94 -4.65 120.40 131.95 1qkh s VAL 60 Ca 0.73 0.23 -0.27 0.00 0.00 0.00 0.00 61.98 62.67 1qkh s VAL 60 Cb -0.05 -3.53 -0.01 0.00 0.00 0.00 0.00 36.38 32.79 1qkh s VAL 60 CO 0.07 0.30 1.67 -0.47 0.00 0.00 0.00 175.10 176.67 1qkh s TYR 61 N 1.36 1.91 0.24 5.22 6.14 -1.25 -2.30 117.35 128.66 1qkh s TYR 61 Ca 0.08 0.58 -0.28 0.00 0.64 0.00 0.00 57.07 58.09 1qkh s TYR 61 Cb -0.15 -4.24 -0.09 0.00 0.42 0.00 0.00 41.96 37.91 1qkh s TYR 61 CO 0.07 -2.27 0.91 0.42 0.64 0.00 0.00 175.55 175.32 1qkh s ILE 62 N 7.68 4.16 0.00 3.14 1.09 -0.31 -4.90 121.20 132.05 1qkh s ILE 62 Ca 0.61 1.96 0.00 0.00 -1.10 0.00 0.00 60.65 62.12 1qkh s ILE 62 Cb -0.13 -4.24 0.00 0.00 -1.06 0.00 0.00 42.46 37.04 1qkh s ILE 62 CO 0.22 0.44 0.00 0.35 -0.10 0.00 0.00 174.94 175.86 1qkh n THR 63 N 1.35 0.00 0.93 2.92 -2.24 -1.26 -2.33 114.28 113.65 1qkh n THR 63 Ca -0.02 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.84 1qkh n THR 63 Cb 0.48 -0.64 0.26 0.00 -2.10 0.00 0.00 70.33 68.33 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 1.86 0.00 -0.78 4.07 -1.26 -4.10 120.64 120.43 1qkh n GLU 64 Ca 0.00 -1.32 0.00 0.00 -0.06 0.00 0.00 57.16 55.78 1qkh n GLU 64 Cb 0.00 -1.35 0.00 0.00 -0.06 0.00 0.00 31.44 30.03 1qkh n GLU 64 CO 0.00 0.00 0.00 0.27 -0.06 0.00 0.00 177.13 177.34 1qkh n ASN 65 N 0.55 2.48 0.12 4.31 6.94 -1.26 -4.74 115.26 123.65 1qkh n ASN 65 Ca 0.15 -0.07 0.12 0.00 -0.02 0.00 0.00 54.58 54.76 1qkh n ASN 65 Cb 0.34 0.63 0.13 0.00 -2.36 0.00 0.00 39.78 38.53 1qkh n ASN 65 CO 0.00 0.00 0.00 0.24 -1.03 0.00 0.00 177.26 176.47 1qkh h MET 66 N 0.00 0.00 -7.34 -3.83 2.86 -1.86 -3.47 114.93 101.29 1qkh h MET 66 Ca 0.00 0.00 -0.50 0.00 -2.06 0.00 0.00 59.70 57.14 1qkh h MET 66 Cb 0.00 0.00 0.13 0.00 0.06 0.00 0.00 31.60 31.79 1qkh h MET 66 CO 0.00 0.00 0.30 0.54 1.06 0.00 0.00 176.91 178.81 1qkh s VAL 67 N -3.24 3.13 0.00 -2.22 0.11 -1.26 -4.32 120.40 112.60 1qkh s VAL 67 Ca 0.04 0.37 0.00 0.00 -2.93 0.00 0.00 61.98 59.46 1qkh s VAL 67 Cb 0.10 -2.94 0.00 0.00 -1.53 0.00 0.00 36.38 32.01 1qkh s VAL 67 CO 0.72 -0.48 0.00 0.61 -3.33 0.00 0.00 175.10 172.62 1qkh n GLY 68 N -1.46 2.12 0.00 6.54 0.00 -1.26 -4.97 105.19 106.16 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 -0.57 0.00 0.00 1.61 8.25 -1.26 -4.93 115.22 118.32 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 -0.81 0.00 0.00 -0.41 -0.00 -1.26 -4.21 118.16 111.48 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 0.18 -5.58 -0.00 -1.26 -4.53 117.00 105.82 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 0.57 0.00 -0.00 0.00 0.00 43.42 43.99 1qkh n LEU 71 CO 0.00 0.00 0.91 1.23 -0.00 0.00 0.00 177.39 179.53 1qkh h GLY 72 N 0.00 0.00 1.60 1.47 0.00 -1.91 -1.68 103.07 102.55 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 -0.31 0.83 0.00 0.00 0.00 176.54 177.06 1qkh h GLU 73 N 0.00 0.00 0.00 4.80 5.08 -1.94 -1.80 114.58 120.72 1qkh h GLU 73 Ca 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1qkh h GLU 73 Cb 0.39 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.64 1qkh h GLU 73 CO 0.00 0.00 -1.72 1.19 -1.00 0.00 0.00 179.01 177.48 1qkh n PHE 74 N -2.33 0.29 -2.77 4.33 3.01 -0.70 -4.46 117.46 114.82 1qkh n PHE 74 Ca 0.04 0.08 -0.16 0.00 1.01 0.00 0.00 57.45 58.42 1qkh n PHE 74 Cb 0.45 -0.65 0.00 0.00 -0.01 0.00 0.00 39.48 39.28 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 -2.25 3.55 -1.23 4.37 0.00 -0.77 -4.94 120.51 119.24 1qkh n ALA 75 Ca -0.04 -3.58 -0.20 0.00 0.00 0.00 0.00 53.44 49.62 1qkh n ALA 75 Cb 0.58 -0.84 -0.12 0.00 0.00 0.00 0.00 19.45 19.08 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 2.30 -4.21 0.00 -0.04 -0.68 -4.83 135.00 127.46 1qkh n PRO 76 Ca 0.21 -1.62 -0.18 0.00 -0.04 0.00 0.00 63.50 61.87 1qkh n PRO 76 Cb 0.71 -2.11 -0.11 0.00 -0.04 0.00 0.00 33.50 31.95 1qkh n PRO 76 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1qkh s THR 77 N -0.21 1.21 -0.50 0.52 2.01 -1.26 -5.09 115.64 112.32 1qkh s THR 77 Ca 0.64 -1.55 -0.28 0.00 0.31 0.00 0.00 61.69 60.81 1qkh s THR 77 Cb 0.33 -1.34 0.01 0.00 0.01 0.00 0.00 72.50 71.51 1qkh s THR 77 CO -0.09 -0.35 1.48 -0.13 -0.69 0.00 0.00 174.62 174.84 1qkh s ARG 78 N -2.31 3.34 -0.02 4.92 1.81 -1.26 -4.98 118.95 120.44 1qkh s ARG 78 Ca 0.04 0.70 0.05 0.00 -1.72 0.00 0.00 55.73 54.80 1qkh s ARG 78 Cb -0.07 -4.12 -0.01 0.00 -0.45 0.00 0.00 34.95 30.31 1qkh s ARG 78 CO 0.02 -1.87 -0.16 0.95 -0.68 0.00 0.00 175.30 173.56 1qkh s THR 79 N 6.17 1.28 0.00 0.02 -4.23 -1.26 -5.30 115.64 112.32 1qkh s THR 79 Ca 0.59 -0.67 0.00 0.00 -1.18 0.00 0.00 61.69 60.43 1qkh s THR 79 Cb -0.13 -1.08 0.00 0.00 1.34 0.00 0.00 72.50 72.64 1qkh s THR 79 CO 0.28 0.37 0.00 0.00 -0.54 0.00 0.00 174.62 174.72