#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 0.26 0.13 1.61 0.11 -1.26 -5.13 120.40 116.12 1qkh s VAL 9 Ca 0.00 -0.61 0.09 0.00 -2.93 0.00 0.00 61.98 58.52 1qkh s VAL 9 Cb 0.00 -0.32 -0.04 0.00 -1.53 0.00 0.00 36.38 34.50 1qkh s VAL 9 CO 0.00 -0.23 -0.20 0.12 -3.33 0.00 0.00 175.10 171.46 1qkh s PHE 10 N -0.84 1.83 -0.20 1.54 2.19 -1.25 -5.09 117.98 116.16 1qkh s PHE 10 Ca -0.07 -0.44 -0.02 0.00 0.33 0.00 0.00 56.93 56.73 1qkh s PHE 10 Cb -0.06 -0.96 -0.00 0.00 -1.31 0.00 0.00 43.02 40.69 1qkh s PHE 10 CO -0.00 0.27 -0.10 0.54 1.83 0.00 0.00 175.22 177.76 1qkh s VAL 11 N -1.56 2.97 -0.66 3.12 0.11 -1.26 -2.31 120.40 120.81 1qkh s VAL 11 Ca 0.11 -0.64 -0.31 0.00 -2.93 0.00 0.00 61.98 58.21 1qkh s VAL 11 Cb -0.08 -2.32 -0.15 0.00 -1.53 0.00 0.00 36.38 32.31 1qkh s VAL 11 CO 0.05 0.47 2.46 -0.67 -3.33 0.00 0.00 175.10 174.08 1qkh n ASP 12 N 4.62 1.39 0.28 3.54 2.03 -1.26 -4.73 116.55 122.42 1qkh n ASP 12 Ca -0.19 0.04 0.14 0.00 0.52 0.00 0.00 54.79 55.30 1qkh n ASP 12 Cb 0.51 -1.21 0.80 0.00 -0.72 0.00 0.00 41.12 40.49 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 14.38 0.00 0.01 1.67 3.58 -1.95 -1.11 116.42 133.00 1qkh h ASP 13 Ca -0.16 0.00 -0.09 0.00 0.42 0.00 0.00 57.03 57.19 1qkh h ASP 13 Cb 1.31 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.34 1qkh h ASP 13 CO 1.21 0.08 -0.26 -0.74 -2.88 0.00 0.00 179.24 176.65 1qkh h HIS 14 N 0.00 0.45 0.06 0.28 2.76 -1.97 -0.04 115.15 116.70 1qkh h HIS 14 Ca -0.00 -0.09 -0.26 0.00 -2.20 0.00 0.00 60.37 57.82 1qkh h HIS 14 Cb 0.26 -0.11 0.01 0.00 1.55 0.00 0.00 27.41 29.12 1qkh h HIS 14 CO 0.00 0.64 -1.10 1.37 -1.30 0.00 0.00 177.93 177.54 1qkh h LEU 15 N 0.36 0.61 -0.70 0.26 8.10 -1.45 -3.21 115.31 119.28 1qkh h LEU 15 Ca 0.05 -0.55 -0.03 0.00 0.11 0.00 0.00 57.88 57.47 1qkh h LEU 15 Cb 0.66 -0.19 -0.03 0.00 -0.44 0.00 0.00 40.66 40.65 1qkh h LEU 15 CO 0.05 1.37 0.34 -0.07 -4.11 0.00 0.00 178.44 176.02 1qkh h LEU 16 N 0.21 0.92 -2.18 0.17 4.07 -1.05 0.37 115.31 117.81 1qkh h LEU 16 Ca -0.12 -0.13 0.04 0.00 0.08 0.00 0.00 57.88 57.75 1qkh h LEU 16 Cb 1.77 -0.24 -0.01 0.00 1.08 0.00 0.00 40.66 43.27 1qkh h LEU 16 CO 0.19 0.79 0.28 1.05 -1.08 0.00 0.00 178.44 179.68 1qkh h GLU 17 N 0.98 0.00 0.01 1.13 4.11 -1.01 -0.64 114.58 119.15 1qkh h GLU 17 Ca 0.24 0.00 -0.37 0.00 0.07 0.00 0.00 59.36 59.30 1qkh h GLU 17 Cb 0.12 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.30 1qkh h GLU 17 CO -0.03 0.00 -2.33 1.63 0.07 0.00 0.00 179.01 178.35 1qkh n LYS 18 N -3.40 0.68 -0.12 1.06 5.02 -0.46 -3.86 118.16 117.09 1qkh n LYS 18 Ca 0.01 0.07 -0.13 0.00 -2.02 0.00 0.00 58.31 56.25 1qkh n LYS 18 Cb 0.38 -1.55 -0.03 0.00 -0.02 0.00 0.00 35.03 33.81 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 -0.56 -0.18 3.04 0.07 -1.88 116.25 118.01 1qkh h VAL 19 Ca -0.53 -1.53 -0.04 0.00 -1.01 0.00 0.00 66.70 63.59 1qkh h VAL 19 Cb 2.12 1.41 -0.03 0.00 -2.01 0.00 0.00 31.29 32.79 1qkh h VAL 19 CO 0.01 0.51 0.17 -0.07 -1.01 0.00 0.00 177.57 177.18 1qkh h LEU 20 N 0.71 0.77 -1.60 3.16 3.38 -1.37 -0.00 115.31 120.36 1qkh h LEU 20 Ca 0.06 -0.12 0.01 0.00 0.09 0.00 0.00 57.88 57.92 1qkh h LEU 20 Cb 0.95 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.48 1qkh h LEU 20 CO 0.09 0.73 0.27 -0.08 0.09 0.00 0.00 178.44 179.54 1qkh h GLU 21 N 0.81 0.53 0.00 1.13 4.57 -1.58 0.45 114.58 120.50 1qkh h GLU 21 Ca 0.19 -0.03 -0.14 0.00 -1.18 0.00 0.00 59.36 58.20 1qkh h GLU 21 Cb 0.24 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 28.69 1qkh h GLU 21 CO -0.01 0.35 -0.66 -0.07 -1.18 0.00 0.00 179.01 177.45 1qkh h LEU 22 N 0.55 0.00 0.00 1.64 -0.00 -0.24 -3.03 115.31 114.23 1qkh h LEU 22 Ca 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.03 1qkh h LEU 22 Cb -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.61 1qkh h LEU 22 CO -0.03 0.66 -0.10 0.59 -0.00 0.00 0.00 178.44 179.56 1qkh n ASN 23 N -3.33 0.54 0.07 -0.43 3.02 -0.38 -0.89 115.26 113.86 1qkh n ASN 23 Ca 0.01 0.46 -0.16 0.00 -0.03 0.00 0.00 54.58 54.86 1qkh n ASN 23 Cb 0.77 -0.54 -0.14 0.00 -0.61 0.00 0.00 39.78 39.26 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 2.69 0.27 0.00 5.41 0.00 -0.85 -3.31 119.26 123.46 1qkh h ALA 24 Ca 0.00 -1.09 0.00 0.00 0.00 0.00 0.00 54.91 53.82 1qkh h ALA 24 Cb 0.66 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1qkh h ALA 24 CO 0.00 1.13 -0.75 0.87 0.00 0.00 0.00 179.25 180.51 1qkh h LYS 25 N 0.07 0.00 0.00 0.00 1.79 -1.58 -3.48 116.57 113.37 1qkh h LYS 25 Ca -0.23 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.24 1qkh h LYS 25 Cb 2.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.65 1qkh h LYS 25 CO 0.16 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 178.94 1qkh n GLY 26 N 1.34 0.72 3.60 3.86 0.00 -0.90 -5.06 105.19 108.74 1qkh n GLY 26 Ca 0.03 -0.70 -0.32 0.00 0.00 0.00 0.00 46.02 45.03 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 -2.52 2.53 -0.59 1.61 2.02 -0.07 -5.02 118.70 116.67 1qkh s GLU 27 Ca 0.00 -0.74 -0.04 0.00 0.02 0.00 0.00 54.97 54.21 1qkh s GLU 27 Cb 0.00 -2.49 0.15 0.00 0.10 0.00 0.00 34.13 31.89 1qkh s GLU 27 CO 0.00 0.60 0.41 0.15 0.02 0.00 0.00 175.26 176.44 1qkh s LYS 28 N -1.47 2.53 0.00 1.61 1.02 -1.26 -4.31 119.74 117.85 1qkh s LYS 28 Ca 0.17 -2.33 0.00 0.00 0.02 0.00 0.00 55.97 53.83 1qkh s LYS 28 Cb -0.11 -3.77 0.00 0.00 -0.52 0.00 0.00 37.83 33.43 1qkh s LYS 28 CO 0.08 -1.17 0.00 -2.13 -0.92 0.00 0.00 175.35 171.21 1qkh n ARG 29 N 3.84 3.85 -4.25 1.68 3.00 -1.26 -4.90 116.66 118.62 1qkh n ARG 29 Ca 0.05 0.00 -0.27 0.00 -0.00 0.00 0.00 57.85 57.63 1qkh n ARG 29 Cb 0.39 0.00 -0.09 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 3.12 -0.09 6.15 0.05 -1.26 -1.69 118.68 124.96 1qkh s LEU 30 Ca 0.00 -0.48 -0.00 0.00 0.05 0.00 0.00 54.13 53.69 1qkh s LEU 30 Cb 0.00 -1.80 0.02 0.00 -2.05 0.00 0.00 46.19 42.36 1qkh s LEU 30 CO 0.00 0.11 -0.06 -0.63 -0.55 0.00 0.00 176.35 175.22 1qkh s ILE 31 N -1.67 0.82 0.59 1.48 1.01 -1.00 -4.89 121.20 117.55 1qkh s ILE 31 Ca 0.26 -0.18 -0.10 0.00 0.00 0.00 0.00 60.65 60.62 1qkh s ILE 31 Cb -0.09 -0.86 -0.04 0.00 0.01 0.00 0.00 42.46 41.47 1qkh s ILE 31 CO 0.16 0.33 0.98 -0.54 0.00 0.00 0.00 174.94 175.87 1qkh s LYS 32 N 1.61 3.59 0.07 2.79 3.01 -1.26 0.16 119.74 129.70 1qkh s LYS 32 Ca 0.02 0.64 0.01 0.00 -1.01 0.00 0.00 55.97 55.63 1qkh s LYS 32 Cb -0.13 -2.14 -0.04 0.00 -1.01 0.00 0.00 37.83 34.52 1qkh s LYS 32 CO -0.06 -0.50 -0.05 0.99 0.51 0.00 0.00 175.35 176.24 1qkh s THR 33 N -3.10 0.50 -0.20 2.17 2.01 -0.82 -4.49 115.64 111.72 1qkh s THR 33 Ca 0.54 -1.75 0.20 0.00 0.31 0.00 0.00 61.69 60.98 1qkh s THR 33 Cb -0.11 -1.44 0.43 0.00 0.01 0.00 0.00 72.50 71.39 1qkh s THR 33 CO 0.52 -0.84 1.20 0.79 -0.69 0.00 0.00 174.62 175.61 1qkh n TRP 34 N 0.25 0.21 -1.56 4.92 8.01 -1.26 -3.93 117.44 124.09 1qkh n TRP 34 Ca -0.14 -1.56 0.00 0.00 -1.31 0.00 0.00 57.50 54.48 1qkh n TRP 34 Cb 0.60 0.21 0.00 0.00 -2.01 0.00 0.00 31.31 30.11 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 -0.51 0.01 -0.03 -0.99 7.64 -1.26 -5.05 113.62 113.44 1qkh n SER 35 Ca -0.01 0.00 -0.07 0.00 1.01 0.00 0.00 58.87 59.80 1qkh n SER 35 Cb 0.88 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 64.06 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 0.28 -1.25 1.43 5.12 -1.26 -4.54 116.66 116.43 1qkh n ARG 36 Ca 0.00 0.11 -0.29 0.00 -1.93 0.00 0.00 57.85 55.74 1qkh n ARG 36 Cb 0.00 -0.98 0.12 0.00 -1.16 0.00 0.00 32.46 30.44 1qkh n ARG 36 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1qkh n ARG 37 N -3.93 2.44 -1.56 5.56 3.00 -1.26 -4.36 116.66 116.55 1qkh n ARG 37 Ca -0.11 -3.06 -0.59 0.00 -0.01 0.00 0.00 57.85 54.08 1qkh n ARG 37 Cb 0.35 -2.20 -0.08 0.00 0.00 0.00 0.00 32.46 30.53 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 -0.97 0.63 -4.19 0.55 7.64 -1.26 -3.87 113.62 112.16 1qkh n SER 38 Ca 0.60 1.15 -0.11 0.00 1.01 0.00 0.00 58.87 61.51 1qkh n SER 38 Cb 1.12 -0.98 -0.10 0.00 -1.01 0.00 0.00 64.21 63.24 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 0.67 0.48 0.70 0.44 2.01 -0.98 -4.63 115.64 114.33 1qkh s THR 39 Ca 0.92 -1.94 -0.07 0.00 0.31 0.00 0.00 61.69 60.92 1qkh s THR 39 Cb -1.22 -1.96 0.06 0.00 0.01 0.00 0.00 72.50 69.38 1qkh s THR 39 CO 0.58 -0.59 1.01 -0.63 -0.69 0.00 0.00 174.62 174.30 1qkh s ILE 40 N -3.79 2.34 0.31 1.82 1.09 -1.26 -4.07 121.20 117.65 1qkh s ILE 40 Ca 0.20 -0.25 0.04 0.00 -1.10 0.00 0.00 60.65 59.54 1qkh s ILE 40 Cb 0.07 -3.02 -0.03 0.00 -1.06 0.00 0.00 42.46 38.41 1qkh s ILE 40 CO 0.00 -0.02 0.20 0.68 -0.10 0.00 0.00 174.94 175.70 1qkh s VAL 41 N -3.24 0.19 0.38 2.92 -7.23 -1.26 -4.38 120.40 107.78 1qkh s VAL 41 Ca 0.60 -2.00 0.14 0.00 -1.81 0.00 0.00 61.98 58.91 1qkh s VAL 41 Cb -0.11 -2.48 0.13 0.00 0.56 0.00 0.00 36.38 34.48 1qkh s VAL 41 CO 0.45 0.00 1.88 1.55 -0.31 0.00 0.00 175.10 178.67 1qkh h PRO 42 N 2.18 0.00 0.00 4.82 0.13 -1.98 -2.43 132.00 134.73 1qkh h PRO 42 Ca -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 1qkh h PRO 42 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1qkh h PRO 42 CO 0.46 0.31 0.00 -0.85 -0.23 0.00 0.00 178.00 177.69 1qkh n GLU 43 N -4.09 0.89 -0.47 0.86 0.28 -1.26 -3.38 120.64 113.47 1qkh n GLU 43 Ca -0.02 0.00 0.08 0.00 -0.16 0.00 0.00 57.16 57.06 1qkh n GLU 43 Cb 0.36 -1.10 0.27 0.00 1.43 0.00 0.00 31.44 32.40 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 -0.60 3.10 0.00 3.44 2.81 -0.91 -4.70 117.12 120.26 1qkh n MET 44 Ca 0.04 -2.82 0.01 0.00 -1.81 0.00 0.00 57.70 53.12 1qkh n MET 44 Cb 0.02 -1.85 0.08 0.00 -0.71 0.00 0.00 33.22 30.77 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 -0.33 0.00 -2.35 2.03 0.31 -1.22 -2.71 118.33 114.06 1qkh n VAL 45 Ca 0.21 0.00 -0.02 0.00 -0.01 0.00 0.00 64.34 64.52 1qkh n VAL 45 Cb 0.89 -0.47 0.00 0.00 -0.91 0.00 0.00 33.84 33.36 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 -0.21 1.02 2.98 2.92 0.00 -0.82 -4.09 105.19 106.98 1qkh n GLY 46 Ca 0.02 -0.42 -0.11 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.39 0.32 -1.07 1.61 4.02 -1.10 -4.16 115.29 114.53 1qkh s HIS 47 Ca 0.15 -0.39 -0.10 0.00 1.02 0.00 0.00 55.06 55.74 1qkh s HIS 47 Cb 0.23 -0.21 0.26 0.00 -1.02 0.00 0.00 32.58 31.84 1qkh s HIS 47 CO -0.08 -0.12 1.06 0.99 1.02 0.00 0.00 174.74 177.62 1qkh s THR 48 N -1.07 5.91 -0.30 1.30 2.01 -0.68 -1.00 115.64 121.81 1qkh s THR 48 Ca -0.10 -3.23 -0.28 0.00 0.31 0.00 0.00 61.69 58.39 1qkh s THR 48 Cb -0.08 -4.59 0.01 0.00 0.01 0.00 0.00 72.50 67.85 1qkh s THR 48 CO -0.00 -1.17 1.00 -0.63 -0.69 0.00 0.00 174.62 173.12 1qkh s ILE 49 N -0.91 4.61 -1.26 1.82 1.09 -0.89 -2.37 121.20 123.29 1qkh s ILE 49 Ca 0.29 1.67 -0.19 0.00 -1.10 0.00 0.00 60.65 61.32 1qkh s ILE 49 Cb -0.10 -4.33 0.01 0.00 -1.06 0.00 0.00 42.46 36.98 1qkh s ILE 49 CO -0.08 -0.36 1.87 0.00 -0.10 0.00 0.00 174.94 176.27 1qkh n ALA 50 N 6.59 3.34 -1.75 9.38 0.00 0.12 -1.21 120.51 136.99 1qkh n ALA 50 Ca 0.10 -3.60 -0.42 0.00 0.00 0.00 0.00 53.44 49.52 1qkh n ALA 50 Cb 0.47 -3.57 -0.03 0.00 0.00 0.00 0.00 19.45 16.33 1qkh n ALA 50 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1qkh s VAL 51 N 5.93 2.06 -0.62 0.00 -7.23 -0.68 -1.94 120.40 117.92 1qkh s VAL 51 Ca 0.57 0.04 -0.28 0.00 -1.81 0.00 0.00 61.98 60.51 1qkh s VAL 51 Cb 0.05 -3.03 0.02 0.00 0.56 0.00 0.00 36.38 33.98 1qkh s VAL 51 CO 0.08 0.00 1.32 -0.47 -0.31 0.00 0.00 175.10 175.72 1qkh s TYR 52 N 0.92 2.37 -2.00 2.82 5.04 -1.25 -1.13 117.35 124.12 1qkh s TYR 52 Ca 0.72 0.33 0.05 0.00 -2.44 0.00 0.00 57.07 55.73 1qkh s TYR 52 Cb -0.49 -4.49 0.29 0.00 0.35 0.00 0.00 41.96 37.63 1qkh s TYR 52 CO 0.35 -1.88 0.94 0.27 -1.34 0.00 0.00 175.55 173.89 1qkh n ASN 53 N 9.26 0.00 0.00 4.32 6.94 -0.03 -4.26 115.26 131.48 1qkh n ASN 53 Ca 0.09 -1.28 0.00 0.00 -0.02 0.00 0.00 54.58 53.37 1qkh n ASN 53 Cb 0.49 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.91 1qkh n ASN 53 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1qkh n GLY 54 N 0.26 0.97 0.00 4.83 0.00 -1.26 -4.82 105.19 105.17 1qkh n GLY 54 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 2.91 -4.15 1.61 2.85 -1.26 -5.08 118.16 115.04 1qkh n LYS 55 Ca 0.00 0.00 -0.14 0.00 -1.05 0.00 0.00 58.31 57.12 1qkh n LYS 55 Cb 0.00 -0.48 -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 1.14 -0.05 0.00 0.00 177.40 178.49 1qkh s GLN 56 N -0.50 0.78 -0.54 -1.58 1.03 -1.26 -5.11 119.66 112.48 1qkh s GLN 56 Ca 0.00 -1.07 -0.17 0.00 0.04 0.00 0.00 55.36 54.16 1qkh s GLN 56 Cb 0.00 -0.48 0.12 0.00 0.03 0.00 0.00 33.01 32.67 1qkh s GLN 56 CO 0.00 0.08 0.53 -1.01 -2.54 0.00 0.00 175.29 172.35 1qkh s HIS 57 N -2.21 3.20 -0.57 9.60 3.76 -1.26 -0.85 115.29 126.97 1qkh s HIS 57 Ca 0.02 -1.18 -0.22 0.00 -0.15 0.00 0.00 55.06 53.53 1qkh s HIS 57 Cb -0.04 -3.78 0.05 0.00 1.11 0.00 0.00 32.58 29.92 1qkh s HIS 57 CO -0.00 -1.05 0.87 0.08 -0.85 0.00 0.00 174.74 173.78 1qkh s VAL 58 N 1.84 4.50 -0.90 -0.90 1.01 -0.28 -4.63 120.40 121.03 1qkh s VAL 58 Ca 0.05 -0.07 -0.25 0.00 0.00 0.00 0.00 61.98 61.71 1qkh s VAL 58 Cb -0.28 -4.51 -0.08 0.00 0.00 0.00 0.00 36.38 31.50 1qkh s VAL 58 CO 0.04 -1.12 2.08 -2.16 0.00 0.00 0.00 175.10 173.95 1qkh s PRO 59 N 3.64 2.22 -0.39 2.72 0.04 -1.25 -1.69 135.00 140.28 1qkh s PRO 59 Ca 0.25 -0.15 -0.18 0.00 0.04 0.00 0.00 61.00 60.95 1qkh s PRO 59 Cb -0.15 -5.00 0.01 0.00 0.04 0.00 0.00 34.50 29.40 1qkh s PRO 59 CO 0.15 -3.83 0.51 0.14 0.04 0.00 0.00 177.00 174.01 1qkh s VAL 60 N 11.82 5.00 -0.65 -0.36 -7.23 -0.35 -4.67 120.40 123.96 1qkh s VAL 60 Ca 0.77 0.08 -0.27 0.00 -1.81 0.00 0.00 61.98 60.75 1qkh s VAL 60 Cb -0.08 -4.03 -0.01 0.00 0.56 0.00 0.00 36.38 32.82 1qkh s VAL 60 CO 0.04 -0.36 1.68 -0.47 -0.31 0.00 0.00 175.10 175.69 1qkh s TYR 61 N 2.40 1.85 0.10 2.82 6.14 -1.25 -2.10 117.35 127.30 1qkh s TYR 61 Ca 0.17 0.53 -0.29 0.00 0.64 0.00 0.00 57.07 58.12 1qkh s TYR 61 Cb -0.16 -4.25 -0.06 0.00 0.42 0.00 0.00 41.96 37.91 1qkh s TYR 61 CO 0.15 -2.24 0.93 0.42 0.64 0.00 0.00 175.55 175.44 1qkh s ILE 62 N 8.07 4.55 0.00 3.14 1.09 -0.17 -4.90 121.20 132.98 1qkh s ILE 62 Ca 0.57 2.00 0.00 0.00 -1.10 0.00 0.00 60.65 62.12 1qkh s ILE 62 Cb -0.11 -4.29 0.00 0.00 -1.06 0.00 0.00 42.46 37.00 1qkh s ILE 62 CO 0.19 0.32 0.00 0.41 -0.10 0.00 0.00 174.94 175.76 1qkh n THR 63 N 2.82 0.00 1.32 2.92 -1.04 -1.26 -1.95 114.28 117.09 1qkh n THR 63 Ca 0.02 0.00 0.13 0.00 -2.04 0.00 0.00 64.05 62.16 1qkh n THR 63 Cb 0.49 -0.02 0.42 0.00 -1.82 0.00 0.00 70.33 69.41 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 0.00 1.06 -0.70 -2.82 4.07 -1.26 -4.02 120.64 116.96 1qkh n GLU 64 Ca 0.00 -0.61 0.04 0.00 -0.06 0.00 0.00 57.16 56.53 1qkh n GLU 64 Cb 0.00 -1.49 0.07 0.00 -0.06 0.00 0.00 31.44 29.96 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 -0.44 1.06 -0.03 4.31 4.05 -1.26 -4.80 115.26 118.16 1qkh n ASN 65 Ca 0.14 -2.55 -0.03 0.00 0.45 0.00 0.00 54.58 52.59 1qkh n ASN 65 Cb 0.35 -0.33 -0.04 0.00 1.23 0.00 0.00 39.78 40.99 1qkh n ASN 65 CO 0.00 0.00 0.00 0.23 -3.05 0.00 0.00 177.26 174.44 1qkh n MET 66 N -0.36 2.66 -0.73 1.20 2.81 -1.26 -5.05 117.12 116.40 1qkh n MET 66 Ca 0.08 0.00 -0.30 0.00 -1.81 0.00 0.00 57.70 55.68 1qkh n MET 66 Cb 0.81 -1.13 0.19 0.00 -0.71 0.00 0.00 33.22 32.37 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 -2.13 2.19 0.00 2.03 0.11 -1.26 -4.47 120.40 116.87 1qkh s VAL 67 Ca -0.04 0.06 0.00 0.00 -2.93 0.00 0.00 61.98 59.07 1qkh s VAL 67 Cb 0.02 -2.16 0.00 0.00 -1.53 0.00 0.00 36.38 32.70 1qkh s VAL 67 CO 0.21 -0.08 0.00 0.61 -3.33 0.00 0.00 175.10 172.51 1qkh n GLY 68 N 0.18 1.43 0.00 6.54 0.00 -1.26 -5.02 105.19 107.06 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 0.00 0.00 0.00 1.61 8.25 -1.26 -4.99 115.22 118.83 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 -0.37 0.00 0.00 -0.41 -0.00 -1.26 -4.39 118.16 111.73 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 -4.51 117.00 105.85 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 0.50 0.00 -0.00 0.00 0.00 43.42 43.92 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 1.53 1.47 0.00 -1.93 0.18 103.07 104.32 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 -0.37 0.83 0.00 0.00 0.00 176.54 177.00 1qkh h GLU 73 N 0.00 0.00 0.00 4.80 4.39 -1.94 -2.61 114.58 119.22 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 0.60 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.25 1qkh h GLU 73 CO 0.00 0.00 -1.41 1.19 -1.16 0.00 0.00 179.01 177.63 1qkh n PHE 74 N -2.34 0.00 -2.76 4.33 3.01 -1.00 -4.65 117.46 114.05 1qkh n PHE 74 Ca 0.04 0.00 -0.17 0.00 1.01 0.00 0.00 57.45 58.33 1qkh n PHE 74 Cb 0.46 -0.23 0.00 0.00 -0.01 0.00 0.00 39.48 39.70 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 -1.82 3.64 -1.25 4.37 0.00 0.60 -4.95 120.51 121.10 1qkh n ALA 75 Ca -0.02 -3.62 -0.26 0.00 0.00 0.00 0.00 53.44 49.53 1qkh n ALA 75 Cb 0.29 -0.82 -0.09 0.00 0.00 0.00 0.00 19.45 18.82 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 -0.11 2.94 0.00 0.00 -0.04 -0.98 -4.73 135.00 132.09 1qkh n PRO 76 Ca 0.21 -1.80 0.00 0.00 -0.04 0.00 0.00 63.50 61.87 1qkh n PRO 76 Cb 0.71 -2.39 0.00 0.00 -0.04 0.00 0.00 33.50 31.78 1qkh n PRO 76 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 1qkh n THR 77 N 2.73 0.00 -1.68 0.52 5.66 -1.26 -4.82 114.28 115.43 1qkh n THR 77 Ca 0.60 0.00 -0.50 0.00 -3.05 0.00 0.00 64.05 61.09 1qkh n THR 77 Cb 0.55 -0.87 -0.05 0.00 -1.55 0.00 0.00 70.33 68.41 1qkh n THR 77 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 1qkh n ARG 78 N -0.33 1.92 -4.03 1.09 3.00 -1.26 -4.94 116.66 112.11 1qkh n ARG 78 Ca 0.00 0.70 -0.11 0.00 -0.01 0.00 0.00 57.85 58.43 1qkh n ARG 78 Cb 0.00 -2.53 -0.05 0.00 0.00 0.00 0.00 32.46 29.88 1qkh n ARG 78 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.63 177.55 1qkh s THR 79 N 4.18 0.00 0.00 0.55 -1.32 -1.26 -5.28 115.64 112.51 1qkh s THR 79 Ca 0.95 -1.49 0.00 0.00 -1.21 0.00 0.00 61.69 59.94 1qkh s THR 79 Cb -0.78 -2.38 0.00 0.00 -1.51 0.00 0.00 72.50 67.84 1qkh s THR 79 CO 0.55 0.00 0.00 -1.22 -2.21 0.00 0.00 174.62 171.74