#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 0.87 -4.18 1.61 0.31 -1.26 -5.03 118.33 110.65 1qkh n VAL 9 Ca 0.00 -0.16 -0.18 0.00 -0.01 0.00 0.00 64.34 64.00 1qkh n VAL 9 Cb 0.00 -1.73 -0.15 0.00 -0.91 0.00 0.00 33.84 31.05 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 -2.29 0.60 -0.32 3.52 2.19 -1.26 -5.12 117.98 115.30 1qkh s PHE 10 Ca -0.20 -0.13 -0.09 0.00 0.33 0.00 0.00 56.93 56.84 1qkh s PHE 10 Cb 0.07 -0.46 0.00 0.00 -1.31 0.00 0.00 43.02 41.32 1qkh s PHE 10 CO 0.26 -0.08 0.15 0.08 1.83 0.00 0.00 175.22 177.46 1qkh s VAL 11 N 0.29 4.47 -0.60 3.12 1.01 -1.26 -2.70 120.40 124.73 1qkh s VAL 11 Ca -0.03 -0.55 -0.36 0.00 0.00 0.00 0.00 61.98 61.03 1qkh s VAL 11 Cb -0.07 -3.32 -0.17 0.00 0.00 0.00 0.00 36.38 32.81 1qkh s VAL 11 CO -0.00 0.01 2.34 -0.67 0.00 0.00 0.00 175.10 176.78 1qkh n ASP 12 N 4.96 1.11 0.26 3.32 -0.08 -1.26 -4.75 116.55 120.11 1qkh n ASP 12 Ca -0.14 0.36 0.13 0.00 -1.51 0.00 0.00 54.79 53.64 1qkh n ASP 12 Cb 0.48 -1.06 0.67 0.00 2.34 0.00 0.00 41.12 43.55 1qkh n ASP 12 CO 0.00 0.00 0.00 -0.78 0.12 0.00 0.00 177.20 176.54 1qkh h ASP 13 N 11.66 0.00 -0.15 1.67 1.82 -1.96 -2.34 116.42 127.11 1qkh h ASP 13 Ca -0.14 0.00 -0.10 0.00 -0.39 0.00 0.00 57.03 56.40 1qkh h ASP 13 Cb 1.35 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 41.35 1qkh h ASP 13 CO 1.16 0.13 -0.23 -0.74 -1.61 0.00 0.00 179.24 177.96 1qkh h HIS 14 N 0.00 0.67 -0.03 0.28 2.76 -1.99 -0.62 115.15 116.22 1qkh h HIS 14 Ca -0.00 -0.14 -0.24 0.00 -2.20 0.00 0.00 60.37 57.79 1qkh h HIS 14 Cb 0.48 -0.16 0.01 0.00 1.55 0.00 0.00 27.41 29.29 1qkh h HIS 14 CO 0.00 0.77 -0.95 1.37 -1.30 0.00 0.00 177.93 177.83 1qkh h LEU 15 N 0.53 0.77 -0.67 0.26 8.10 -1.73 -3.17 115.31 119.39 1qkh h LEU 15 Ca 0.08 -0.59 0.03 0.00 0.11 0.00 0.00 57.88 57.51 1qkh h LEU 15 Cb 0.68 -0.23 -0.04 0.00 -0.44 0.00 0.00 40.66 40.62 1qkh h LEU 15 CO 0.05 1.38 0.42 -0.07 -4.11 0.00 0.00 178.44 176.11 1qkh h LEU 16 N 0.36 0.69 -2.11 0.17 4.07 -1.16 0.14 115.31 117.47 1qkh h LEU 16 Ca -0.09 -0.00 0.08 0.00 0.08 0.00 0.00 57.88 57.95 1qkh h LEU 16 Cb 1.58 -0.15 -0.01 0.00 1.08 0.00 0.00 40.66 43.16 1qkh h LEU 16 CO 0.18 0.48 0.31 1.05 -1.08 0.00 0.00 178.44 179.38 1qkh h GLU 17 N 0.83 0.00 0.01 1.13 4.11 -1.09 -0.47 114.58 119.10 1qkh h GLU 17 Ca 0.27 0.00 -0.35 0.00 0.07 0.00 0.00 59.36 59.34 1qkh h GLU 17 Cb 0.01 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.20 1qkh h GLU 17 CO -0.10 0.00 -2.22 1.63 0.07 0.00 0.00 179.01 178.39 1qkh n LYS 18 N -3.77 0.67 0.02 1.06 4.76 -0.18 -4.18 118.16 116.54 1qkh n LYS 18 Ca 0.04 0.10 -0.15 0.00 -2.87 0.00 0.00 58.31 55.43 1qkh n LYS 18 Cb 0.46 -1.60 -0.04 0.00 -1.84 0.00 0.00 35.03 32.01 1qkh n LYS 18 CO 0.00 0.00 0.00 -0.24 -1.37 0.00 0.00 177.40 175.79 1qkh h VAL 19 N 0.00 1.32 0.00 -0.18 3.04 0.10 -2.91 116.25 117.63 1qkh h VAL 19 Ca -0.48 -2.11 -0.01 0.00 -1.01 0.00 0.00 66.70 63.08 1qkh h VAL 19 Cb 2.13 2.12 -0.00 0.00 -2.01 0.00 0.00 31.29 33.53 1qkh h VAL 19 CO 0.03 0.65 -0.07 0.17 -1.01 0.00 0.00 177.57 177.34 1qkh h LEU 20 N 0.41 0.00 -0.61 3.16 8.10 -1.33 0.22 115.31 125.26 1qkh h LEU 20 Ca -0.06 0.00 -0.15 0.00 0.11 0.00 0.00 57.88 57.78 1qkh h LEU 20 Cb 1.44 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 41.65 1qkh h LEU 20 CO 0.16 0.07 -0.51 -0.33 -4.11 0.00 0.00 178.44 173.71 1qkh h GLU 21 N 0.00 0.48 0.00 0.17 3.07 -1.68 -1.53 114.58 115.09 1qkh h GLU 21 Ca -0.00 -0.29 -0.10 0.00 -0.50 0.00 0.00 59.36 58.48 1qkh h GLU 21 Cb 0.19 0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.11 1qkh h GLU 21 CO 0.01 0.88 -0.46 -0.07 -1.40 0.00 0.00 179.01 177.97 1qkh h LEU 22 N 0.38 0.00 0.00 1.33 -0.00 -0.90 -2.54 115.31 113.57 1qkh h LEU 22 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.89 1qkh h LEU 22 Cb 1.03 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.69 1qkh h LEU 22 CO 0.09 0.46 -0.26 0.78 -0.00 0.00 0.00 178.44 179.52 1qkh h ASN 23 N 0.00 0.00 0.39 -0.43 2.35 -1.09 -1.07 115.58 115.73 1qkh h ASN 23 Ca -0.00 -0.06 -0.32 0.00 -0.55 0.00 0.00 56.30 55.37 1qkh h ASN 23 Cb 0.97 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.34 1qkh h ASN 23 CO 0.06 0.03 -1.55 0.00 -1.65 0.00 0.00 177.43 174.32 1qkh h ALA 24 N 2.39 0.19 0.00 -0.83 0.00 -0.92 -3.32 119.26 116.77 1qkh h ALA 24 Ca 0.00 -1.08 -0.03 0.00 0.00 0.00 0.00 54.91 53.80 1qkh h ALA 24 Cb 0.81 0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.88 1qkh h ALA 24 CO 0.00 1.06 -0.88 0.87 0.00 0.00 0.00 179.25 180.30 1qkh h LYS 25 N 0.08 0.00 0.00 0.00 1.57 -1.53 -3.48 116.57 113.21 1qkh h LYS 25 Ca -0.26 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.52 1qkh h LYS 25 Cb 2.05 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.36 1qkh h LYS 25 CO 0.18 0.06 0.00 0.41 -0.57 0.00 0.00 179.45 179.53 1qkh n GLY 26 N 1.20 0.62 3.88 3.86 0.00 -0.65 -5.05 105.19 109.05 1qkh n GLY 26 Ca -0.01 -0.52 -0.32 0.00 0.00 0.00 0.00 46.02 45.17 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 -1.04 3.72 -0.51 1.61 0.41 -0.50 -5.00 118.70 117.40 1qkh s GLU 27 Ca 0.00 0.11 -0.05 0.00 -0.41 0.00 0.00 54.97 54.62 1qkh s GLU 27 Cb 0.00 -2.79 0.13 0.00 -1.78 0.00 0.00 34.13 29.69 1qkh s GLU 27 CO 0.00 0.42 0.34 0.15 -0.49 0.00 0.00 175.26 175.68 1qkh s LYS 28 N -2.59 2.37 0.00 1.61 1.02 -1.26 -4.51 119.74 116.37 1qkh s LYS 28 Ca 0.42 -2.06 0.00 0.00 0.02 0.00 0.00 55.97 54.35 1qkh s LYS 28 Cb -0.12 -3.76 0.00 0.00 -0.52 0.00 0.00 37.83 33.43 1qkh s LYS 28 CO 0.22 -1.15 0.00 -2.13 -0.92 0.00 0.00 175.35 171.38 1qkh n ARG 29 N 4.30 2.65 -4.36 1.68 0.63 -1.26 -4.99 116.66 115.30 1qkh n ARG 29 Ca 0.00 0.00 -0.26 0.00 -0.92 0.00 0.00 57.85 56.67 1qkh n ARG 29 Cb 0.40 0.00 -0.10 0.00 0.45 0.00 0.00 32.46 33.21 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 2.76 -0.17 6.15 0.05 -1.26 -2.35 118.68 123.86 1qkh s LEU 30 Ca 0.00 -0.75 -0.02 0.00 0.05 0.00 0.00 54.13 53.41 1qkh s LEU 30 Cb 0.00 -1.41 0.05 0.00 -2.05 0.00 0.00 46.19 42.78 1qkh s LEU 30 CO 0.00 0.09 -0.01 -0.63 -0.55 0.00 0.00 176.35 175.25 1qkh s ILE 31 N -1.88 0.79 0.05 1.48 1.09 -0.87 -4.93 121.20 116.93 1qkh s ILE 31 Ca 0.25 -0.56 0.01 0.00 -1.10 0.00 0.00 60.65 59.25 1qkh s ILE 31 Cb -0.08 -1.12 -0.04 0.00 -1.06 0.00 0.00 42.46 40.16 1qkh s ILE 31 CO 0.14 -0.03 0.10 -1.59 -0.10 0.00 0.00 174.94 173.46 1qkh s LYS 32 N 1.75 3.04 0.27 2.79 0.00 -1.26 0.49 119.74 126.83 1qkh s LYS 32 Ca -0.00 -0.57 0.02 0.00 0.00 0.00 0.00 55.97 55.42 1qkh s LYS 32 Cb -0.16 -2.83 -0.03 0.00 0.00 0.00 0.00 37.83 34.81 1qkh s LYS 32 CO -0.07 0.60 0.24 -0.08 0.00 0.00 0.00 175.35 176.04 1qkh s THR 33 N -1.34 0.00 -0.32 3.79 -1.32 -1.04 -4.74 115.64 110.67 1qkh s THR 33 Ca 0.28 -1.95 0.18 0.00 -1.21 0.00 0.00 61.69 58.99 1qkh s THR 33 Cb -0.12 -2.50 0.46 0.00 -1.51 0.00 0.00 72.50 68.83 1qkh s THR 33 CO 0.20 0.00 1.08 0.79 -2.21 0.00 0.00 174.62 174.48 1qkh n TRP 34 N -0.46 0.51 0.00 9.09 8.01 -1.26 -3.88 117.44 129.45 1qkh n TRP 34 Ca 0.04 -2.46 0.00 0.00 -1.31 0.00 0.00 57.50 53.77 1qkh n TRP 34 Cb 0.64 0.03 0.00 0.00 -2.01 0.00 0.00 31.31 29.97 1qkh n TRP 34 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.69 177.13 1qkh n SER 35 N -0.34 0.00 0.00 -0.99 2.88 -1.26 -5.06 113.62 108.85 1qkh n SER 35 Ca 0.05 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.59 1qkh n SER 35 Cb 0.82 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.28 1qkh n SER 35 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 1qkh n ARG 36 N -0.55 0.00 -1.99 -1.46 1.85 -1.26 -4.93 116.66 108.32 1qkh n ARG 36 Ca 0.00 0.00 -0.38 0.00 -1.00 0.00 0.00 57.85 56.47 1qkh n ARG 36 Cb 0.00 0.00 0.01 0.00 -1.05 0.00 0.00 32.46 31.42 1qkh n ARG 36 CO 0.00 0.00 0.00 2.89 -0.01 0.00 0.00 177.63 180.51 1qkh n ARG 37 N -0.11 3.38 -1.36 2.89 1.85 -1.26 -2.91 116.66 119.14 1qkh n ARG 37 Ca 0.00 -3.52 -0.48 0.00 -1.00 0.00 0.00 57.85 52.85 1qkh n ARG 37 Cb 0.00 -2.31 -0.04 0.00 -1.05 0.00 0.00 32.46 29.06 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 0.01 -0.97 -4.29 2.89 7.64 -1.22 -4.53 113.62 113.16 1qkh n SER 38 Ca 0.52 1.08 -0.16 0.00 1.01 0.00 0.00 58.87 61.32 1qkh n SER 38 Cb 0.30 -0.90 -0.10 0.00 -1.01 0.00 0.00 64.21 62.50 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 1.43 0.63 0.44 2.01 -1.10 -4.68 115.64 113.59 1qkh s THR 39 Ca 0.66 -2.07 -0.11 0.00 0.31 0.00 0.00 61.69 60.47 1qkh s THR 39 Cb -0.95 -1.88 -0.03 0.00 0.01 0.00 0.00 72.50 69.64 1qkh s THR 39 CO 0.54 -0.64 1.03 -0.63 -0.69 0.00 0.00 174.62 174.23 1qkh s ILE 40 N -3.01 4.56 0.28 1.82 1.09 -1.26 -4.28 121.20 120.40 1qkh s ILE 40 Ca 0.18 0.86 0.02 0.00 -1.10 0.00 0.00 60.65 60.61 1qkh s ILE 40 Cb 0.00 -3.77 -0.05 0.00 -1.06 0.00 0.00 42.46 37.59 1qkh s ILE 40 CO 0.03 -1.06 0.10 0.68 -0.10 0.00 0.00 174.94 174.60 1qkh s VAL 41 N -3.11 0.60 0.34 2.92 -7.23 -1.26 -4.06 120.40 108.59 1qkh s VAL 41 Ca 0.56 -2.00 0.09 0.00 -1.81 0.00 0.00 61.98 58.82 1qkh s VAL 41 Cb -0.12 -2.62 0.09 0.00 0.56 0.00 0.00 36.38 34.29 1qkh s VAL 41 CO 0.52 0.00 1.80 1.55 -0.31 0.00 0.00 175.10 178.66 1qkh h PRO 42 N 2.29 0.19 0.00 4.82 0.13 -1.98 -2.14 132.00 135.31 1qkh h PRO 42 Ca -0.38 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1qkh h PRO 42 Cb 1.25 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1qkh h PRO 42 CO 0.60 0.49 0.00 -0.85 -0.23 0.00 0.00 178.00 178.01 1qkh n GLU 43 N -4.12 0.61 -0.22 0.86 0.28 -1.26 -2.92 120.64 113.87 1qkh n GLU 43 Ca -0.01 0.02 0.07 0.00 -0.16 0.00 0.00 57.16 57.08 1qkh n GLU 43 Cb 0.40 -1.50 0.17 0.00 1.43 0.00 0.00 31.44 31.93 1qkh n GLU 43 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1qkh n MET 44 N -1.10 2.44 0.00 3.44 0.00 -0.80 -4.69 117.12 116.41 1qkh n MET 44 Ca 0.16 -2.42 0.02 0.00 0.00 0.00 0.00 57.70 55.46 1qkh n MET 44 Cb 0.12 -1.51 0.14 0.00 0.00 0.00 0.00 33.22 31.96 1qkh n MET 44 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 1qkh n VAL 45 N -0.60 0.00 -2.53 3.17 0.31 -1.15 -2.81 118.33 114.73 1qkh n VAL 45 Ca 0.15 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.46 1qkh n VAL 45 Cb 0.64 -0.47 0.04 0.00 -0.91 0.00 0.00 33.84 33.14 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 -0.12 1.43 3.09 2.92 0.00 -0.81 -3.49 105.19 108.20 1qkh n GLY 46 Ca 0.03 -0.50 -0.07 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.98 0.49 -1.06 1.61 4.02 -1.12 -4.76 115.29 113.49 1qkh s HIS 47 Ca 0.17 -1.01 -0.11 0.00 1.02 0.00 0.00 55.06 55.13 1qkh s HIS 47 Cb 0.30 -0.36 0.26 0.00 -1.02 0.00 0.00 32.58 31.75 1qkh s HIS 47 CO -0.08 -0.37 1.06 0.99 1.02 0.00 0.00 174.74 177.36 1qkh s THR 48 N -3.72 5.84 -0.33 1.30 2.01 -0.99 -0.78 115.64 118.96 1qkh s THR 48 Ca 0.05 -3.14 -0.26 0.00 0.31 0.00 0.00 61.69 58.65 1qkh s THR 48 Cb 0.06 -4.60 0.01 0.00 0.01 0.00 0.00 72.50 67.98 1qkh s THR 48 CO -0.09 -1.19 0.93 -0.63 -0.69 0.00 0.00 174.62 172.95 1qkh s ILE 49 N -0.70 4.62 -1.23 1.82 1.01 -0.91 -2.04 121.20 123.77 1qkh s ILE 49 Ca 0.29 1.36 -0.20 0.00 0.00 0.00 0.00 60.65 62.11 1qkh s ILE 49 Cb -0.09 -4.31 0.04 0.00 0.01 0.00 0.00 42.46 38.11 1qkh s ILE 49 CO -0.08 -0.43 1.74 0.00 0.00 0.00 0.00 174.94 176.17 1qkh s ALA 50 N 3.38 2.94 0.20 9.38 0.00 0.18 -1.79 121.76 136.05 1qkh s ALA 50 Ca 0.39 -2.67 -0.31 0.00 0.00 0.00 0.00 51.96 49.37 1qkh s ALA 50 Cb -0.13 -4.64 -0.10 0.00 0.00 0.00 0.00 23.12 18.26 1qkh s ALA 50 CO 0.16 -3.71 1.45 0.14 0.00 0.00 0.00 175.76 173.80 1qkh s VAL 51 N 5.64 2.82 -0.53 0.00 -7.23 -0.91 -2.51 120.40 117.69 1qkh s VAL 51 Ca 0.56 0.64 -0.27 0.00 -1.81 0.00 0.00 61.98 61.09 1qkh s VAL 51 Cb 0.02 -3.41 -0.00 0.00 0.56 0.00 0.00 36.38 33.55 1qkh s VAL 51 CO 0.06 0.08 1.64 -0.47 -0.31 0.00 0.00 175.10 176.10 1qkh s TYR 52 N 0.53 1.98 -1.98 2.82 5.04 -1.25 -1.81 117.35 122.67 1qkh s TYR 52 Ca 0.63 0.60 0.17 0.00 -2.44 0.00 0.00 57.07 56.03 1qkh s TYR 52 Cb -0.41 -4.24 1.01 0.00 0.35 0.00 0.00 41.96 38.68 1qkh s TYR 52 CO 0.37 -2.29 1.43 -1.71 -1.34 0.00 0.00 175.55 172.01 1qkh n ASN 53 N 10.78 0.00 0.00 4.32 5.15 0.82 -3.41 115.26 132.92 1qkh n ASN 53 Ca 0.17 -0.51 0.00 0.00 -0.60 0.00 0.00 54.58 53.64 1qkh n ASN 53 Cb 0.50 -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 0.07 1.87 0.00 8.20 0.00 -1.15 -4.82 105.19 109.37 1qkh n GLY 54 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 0.00 -4.17 1.61 2.85 -1.26 -5.02 118.16 112.17 1qkh n LYS 55 Ca 0.00 0.00 -0.13 0.00 -1.05 0.00 0.00 58.31 57.13 1qkh n LYS 55 Cb 0.00 -0.50 -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 1.14 -0.05 0.00 0.00 177.40 178.49 1qkh s GLN 56 N -1.00 0.83 -0.49 -1.58 1.03 -1.26 -5.11 119.66 112.08 1qkh s GLN 56 Ca 0.00 -1.19 -0.13 0.00 0.04 0.00 0.00 55.36 54.07 1qkh s GLN 56 Cb 0.00 -0.43 0.11 0.00 0.03 0.00 0.00 33.01 32.72 1qkh s GLN 56 CO 0.00 0.05 0.41 -1.01 -2.54 0.00 0.00 175.29 172.20 1qkh s HIS 57 N -2.73 3.30 -0.52 9.60 3.76 -1.26 -0.12 115.29 127.31 1qkh s HIS 57 Ca 0.07 -1.38 -0.21 0.00 -0.15 0.00 0.00 55.06 53.39 1qkh s HIS 57 Cb -0.01 -3.49 0.05 0.00 1.11 0.00 0.00 32.58 30.24 1qkh s HIS 57 CO -0.01 -0.94 0.74 0.14 -0.85 0.00 0.00 174.74 173.81 1qkh s VAL 58 N 1.53 4.70 -0.92 -0.90 -7.23 -0.75 -4.65 120.40 112.17 1qkh s VAL 58 Ca 0.04 -0.22 -0.25 0.00 -1.81 0.00 0.00 61.98 59.75 1qkh s VAL 58 Cb -0.27 -4.39 -0.06 0.00 0.56 0.00 0.00 36.38 32.22 1qkh s VAL 58 CO 0.03 -0.92 1.99 -2.16 -0.31 0.00 0.00 175.10 173.73 1qkh s PRO 59 N 3.10 2.44 -0.29 4.82 0.04 -1.25 -2.13 135.00 141.73 1qkh s PRO 59 Ca 0.21 -0.31 -0.13 0.00 0.04 0.00 0.00 61.00 60.81 1qkh s PRO 59 Cb -0.17 -5.05 -0.04 0.00 0.04 0.00 0.00 34.50 29.28 1qkh s PRO 59 CO 0.14 -3.58 0.28 0.08 0.04 0.00 0.00 177.00 173.97 1qkh s VAL 60 N 10.74 5.25 -0.59 -0.36 1.01 -0.74 -4.66 120.40 131.05 1qkh s VAL 60 Ca 0.72 0.27 -0.27 0.00 0.00 0.00 0.00 61.98 62.70 1qkh s VAL 60 Cb -0.07 -3.63 -0.01 0.00 0.00 0.00 0.00 36.38 32.67 1qkh s VAL 60 CO 0.02 0.16 1.77 -0.47 0.00 0.00 0.00 175.10 176.58 1qkh s TYR 61 N 1.89 1.78 0.19 5.22 6.14 -1.25 -2.13 117.35 129.19 1qkh s TYR 61 Ca 0.10 0.68 -0.29 0.00 0.64 0.00 0.00 57.07 58.20 1qkh s TYR 61 Cb -0.16 -4.16 -0.08 0.00 0.42 0.00 0.00 41.96 37.98 1qkh s TYR 61 CO 0.11 -2.32 0.92 0.42 0.64 0.00 0.00 175.55 175.31 1qkh s ILE 62 N 8.32 4.25 0.00 3.14 1.09 0.04 -4.89 121.20 133.15 1qkh s ILE 62 Ca 0.65 2.01 0.00 0.00 -1.10 0.00 0.00 60.65 62.21 1qkh s ILE 62 Cb -0.13 -4.29 0.00 0.00 -1.06 0.00 0.00 42.46 36.98 1qkh s ILE 62 CO 0.22 0.45 0.00 0.35 -0.10 0.00 0.00 174.94 175.86 1qkh n THR 63 N 1.90 0.00 1.52 2.92 -2.24 -1.24 -1.92 114.28 115.23 1qkh n THR 63 Ca -0.01 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.85 1qkh n THR 63 Cb 0.48 -1.06 0.36 0.00 -2.10 0.00 0.00 70.33 68.00 1qkh n THR 63 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1qkh n GLU 64 N -0.12 1.41 0.00 -0.78 4.71 -1.23 -4.03 120.64 120.61 1qkh n GLU 64 Ca 0.00 -0.63 0.00 0.00 -0.01 0.00 0.00 57.16 56.52 1qkh n GLU 64 Cb 0.00 -1.29 0.00 0.00 -1.01 0.00 0.00 31.44 29.14 1qkh n GLU 64 CO 0.00 0.00 0.00 0.27 0.09 0.00 0.00 177.13 177.49 1qkh n ASN 65 N -0.11 0.44 -0.18 1.62 6.94 -1.26 -4.73 115.26 117.97 1qkh n ASN 65 Ca 0.13 -0.24 0.13 0.00 -0.02 0.00 0.00 54.58 54.58 1qkh n ASN 65 Cb 0.20 0.57 0.44 0.00 -2.36 0.00 0.00 39.78 38.62 1qkh n ASN 65 CO 0.00 0.00 0.00 0.23 -1.03 0.00 0.00 177.26 176.46 1qkh n MET 66 N -0.62 0.69 -2.03 -3.83 2.81 -1.26 -4.91 117.12 107.98 1qkh n MET 66 Ca 0.00 -0.36 -0.29 0.00 -1.81 0.00 0.00 57.70 55.24 1qkh n MET 66 Cb 0.00 -1.49 0.05 0.00 -0.71 0.00 0.00 33.22 31.06 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 -2.56 3.37 0.00 2.03 0.11 -1.26 -4.40 120.40 117.70 1qkh s VAL 67 Ca 0.24 0.30 0.00 0.00 -2.93 0.00 0.00 61.98 59.58 1qkh s VAL 67 Cb 0.19 -3.42 0.00 0.00 -1.53 0.00 0.00 36.38 31.62 1qkh s VAL 67 CO 0.53 -0.52 0.00 0.61 -3.33 0.00 0.00 175.10 172.39 1qkh n GLY 68 N -2.92 2.51 0.00 6.54 0.00 -1.26 -4.96 105.19 105.10 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 -1.10 0.00 0.00 1.61 8.25 -1.26 -1.30 115.22 121.42 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 -0.43 0.00 0.00 -0.41 -0.00 -1.26 -2.81 118.16 113.25 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 0.14 -5.58 -0.00 -1.26 -4.50 117.00 105.80 1qkh n LEU 71 Ca 0.00 0.00 0.12 0.00 -0.00 0.00 0.00 56.01 56.13 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 0.87 1.23 -0.00 0.00 0.00 177.39 179.49 1qkh h GLY 72 N 0.00 0.00 1.86 1.47 0.00 -1.91 -1.88 103.07 102.61 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 -0.13 0.83 0.00 0.00 0.00 176.54 177.24 1qkh h GLU 73 N 0.00 0.00 0.00 4.80 4.39 -1.94 -1.38 114.58 120.45 1qkh h GLU 73 Ca 0.00 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 1qkh h GLU 73 Cb 0.41 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.06 1qkh h GLU 73 CO 0.00 0.00 -1.71 1.19 -1.16 0.00 0.00 179.01 177.33 1qkh n PHE 74 N -2.70 0.29 -2.82 4.33 3.01 -0.76 -4.47 117.46 114.34 1qkh n PHE 74 Ca 0.04 0.09 -0.17 0.00 1.01 0.00 0.00 57.45 58.42 1qkh n PHE 74 Cb 0.49 -0.65 -0.00 0.00 -0.01 0.00 0.00 39.48 39.31 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 3.44 -1.24 4.37 0.00 -0.85 -4.94 120.51 119.03 1qkh n ALA 75 Ca -0.03 -3.60 -0.19 0.00 0.00 0.00 0.00 53.44 49.61 1qkh n ALA 75 Cb 0.58 -0.84 -0.11 0.00 0.00 0.00 0.00 19.45 19.07 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 2.22 -3.07 0.00 -0.04 -0.53 -4.37 135.00 129.16 1qkh n PRO 76 Ca 0.21 -1.66 -0.44 0.00 -0.04 0.00 0.00 63.50 61.57 1qkh n PRO 76 Cb 0.70 -2.08 -0.01 0.00 -0.04 0.00 0.00 33.50 32.07 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 -0.55 5.23 -0.65 0.52 2.01 -1.16 -4.67 115.64 116.37 1qkh s THR 77 Ca 0.63 -2.55 -0.10 0.00 0.31 0.00 0.00 61.69 59.98 1qkh s THR 77 Cb 0.35 -4.77 0.01 0.00 0.01 0.00 0.00 72.50 68.10 1qkh s THR 77 CO -0.11 -1.44 0.65 0.54 -0.69 0.00 0.00 174.62 173.57 1qkh n ARG 78 N 5.05 -1.71 -4.33 4.92 1.74 -1.26 -2.31 116.66 118.76 1qkh n ARG 78 Ca 0.29 1.39 -0.36 0.00 -0.77 0.00 0.00 57.85 58.39 1qkh n ARG 78 Cb 0.44 -4.04 -0.08 0.00 -1.02 0.00 0.00 32.46 27.76 1qkh n ARG 78 CO 0.00 0.00 0.00 -2.37 -1.52 0.00 0.00 177.63 173.74 1qkh n THR 79 N -1.45 -0.40 -1.54 0.55 5.66 -1.26 -5.27 114.28 110.57 1qkh n THR 79 Ca -0.09 -0.20 0.00 0.00 -3.05 0.00 0.00 64.05 60.71 1qkh n THR 79 Cb 0.58 -0.68 0.00 0.00 -1.55 0.00 0.00 70.33 68.69 1qkh n THR 79 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02