#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 2.89 0.17 1.61 1.01 -1.26 -5.03 120.40 119.79 1qkh s VAL 9 Ca 0.00 -0.71 0.10 0.00 0.00 0.00 0.00 61.98 61.36 1qkh s VAL 9 Cb 0.00 -2.21 -0.04 0.00 0.00 0.00 0.00 36.38 34.13 1qkh s VAL 9 CO 0.00 0.52 -0.22 0.12 0.00 0.00 0.00 175.10 175.53 1qkh s PHE 10 N 0.44 2.04 -0.25 5.22 2.19 -1.25 -5.06 117.98 121.31 1qkh s PHE 10 Ca -0.11 -0.41 -0.04 0.00 0.33 0.00 0.00 56.93 56.70 1qkh s PHE 10 Cb -0.16 -1.03 0.01 0.00 -1.31 0.00 0.00 43.02 40.52 1qkh s PHE 10 CO 0.05 0.38 -0.01 0.54 1.83 0.00 0.00 175.22 178.01 1qkh s VAL 11 N -1.71 3.42 -0.61 3.12 0.11 -1.26 -1.61 120.40 121.85 1qkh s VAL 11 Ca 0.16 -0.69 -0.34 0.00 -2.93 0.00 0.00 61.98 58.18 1qkh s VAL 11 Cb -0.07 -2.67 -0.16 0.00 -1.53 0.00 0.00 36.38 31.95 1qkh s VAL 11 CO 0.08 0.26 2.38 -0.67 -3.33 0.00 0.00 175.10 173.81 1qkh n ASP 12 N 4.78 1.26 0.26 3.54 2.03 -1.26 -4.74 116.55 122.43 1qkh n ASP 12 Ca -0.17 0.25 0.14 0.00 0.52 0.00 0.00 54.79 55.53 1qkh n ASP 12 Cb 0.49 -1.12 0.69 0.00 -0.72 0.00 0.00 41.12 40.46 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 12.66 0.00 0.43 1.67 3.58 -1.95 -1.81 116.42 131.00 1qkh h ASP 13 Ca -0.16 0.00 -0.05 0.00 0.42 0.00 0.00 57.03 57.25 1qkh h ASP 13 Cb 1.33 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.37 1qkh h ASP 13 CO 1.18 0.12 -0.22 -0.74 -2.88 0.00 0.00 179.24 176.70 1qkh h HIS 14 N 0.00 0.00 0.22 0.28 2.76 -1.94 -0.31 115.15 116.16 1qkh h HIS 14 Ca -0.00 0.00 -0.33 0.00 -2.20 0.00 0.00 60.37 57.84 1qkh h HIS 14 Cb 0.44 0.00 0.03 0.00 1.55 0.00 0.00 27.41 29.43 1qkh h HIS 14 CO 0.00 0.22 -1.52 1.37 -1.30 0.00 0.00 177.93 176.69 1qkh h LEU 15 N 0.00 0.74 -0.73 0.26 8.10 -1.55 -3.29 115.31 118.84 1qkh h LEU 15 Ca -0.00 -0.85 -0.02 0.00 0.11 0.00 0.00 57.88 57.11 1qkh h LEU 15 Cb 0.49 -0.24 -0.03 0.00 -0.44 0.00 0.00 40.66 40.44 1qkh h LEU 15 CO 0.03 1.68 0.36 -0.07 -4.11 0.00 0.00 178.44 176.33 1qkh h LEU 16 N 0.13 0.95 -1.91 0.17 4.07 -1.29 -1.61 115.31 115.82 1qkh h LEU 16 Ca -0.26 -0.13 0.32 0.00 0.08 0.00 0.00 57.88 57.89 1qkh h LEU 16 Cb 2.13 -0.24 -0.05 0.00 1.08 0.00 0.00 40.66 43.58 1qkh h LEU 16 CO 0.24 0.81 0.79 1.05 -1.08 0.00 0.00 178.44 180.25 1qkh h GLU 17 N 1.02 0.05 0.01 1.13 4.11 -1.13 0.32 114.58 120.09 1qkh h GLU 17 Ca 0.25 -0.00 -0.30 0.00 0.07 0.00 0.00 59.36 59.38 1qkh h GLU 17 Cb 0.10 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.29 1qkh h GLU 17 CO -0.03 0.03 -1.74 1.63 0.07 0.00 0.00 179.01 178.97 1qkh n LYS 18 N -4.26 0.64 0.03 1.06 5.02 -0.69 -3.97 118.16 115.99 1qkh n LYS 18 Ca 0.24 0.29 -0.11 0.00 -2.02 0.00 0.00 58.31 56.72 1qkh n LYS 18 Cb 1.14 -1.78 0.03 0.00 -0.02 0.00 0.00 35.03 34.40 1qkh n LYS 18 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1qkh h VAL 19 N 0.01 1.34 -0.71 -0.18 2.07 0.36 -2.33 116.25 116.81 1qkh h VAL 19 Ca -0.30 -1.99 -0.01 0.00 0.82 0.00 0.00 66.70 65.21 1qkh h VAL 19 Cb 2.02 1.97 -0.03 0.00 -1.52 0.00 0.00 31.29 33.73 1qkh h VAL 19 CO 0.08 0.61 0.39 -0.07 0.02 0.00 0.00 177.57 178.60 1qkh h LEU 20 N 0.36 0.87 -0.83 2.57 3.38 -1.07 0.14 115.31 120.73 1qkh h LEU 20 Ca -0.02 -0.07 -0.05 0.00 0.09 0.00 0.00 57.88 57.84 1qkh h LEU 20 Cb 1.24 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.73 1qkh h LEU 20 CO 0.12 0.70 0.31 -0.08 0.09 0.00 0.00 178.44 179.59 1qkh h GLU 21 N 0.99 1.17 0.00 1.13 4.22 -1.64 -1.58 114.58 118.87 1qkh h GLU 21 Ca 0.25 -0.21 -0.03 0.00 0.08 0.00 0.00 59.36 59.45 1qkh h GLU 21 Cb 0.02 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.07 1qkh h GLU 21 CO -0.04 0.95 -0.15 -0.07 -2.18 0.00 0.00 179.01 177.52 1qkh h LEU 22 N 1.14 0.00 0.00 1.64 3.38 -0.52 -2.64 115.31 118.32 1qkh h LEU 22 Ca 0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.23 1qkh h LEU 22 Cb 0.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1qkh h LEU 22 CO -0.02 0.15 -0.21 0.59 0.09 0.00 0.00 178.44 179.03 1qkh n ASN 23 N -3.22 0.46 0.05 -0.43 3.02 0.31 -0.12 115.26 115.33 1qkh n ASN 23 Ca 0.01 0.31 -0.22 0.00 -0.03 0.00 0.00 54.58 54.66 1qkh n ASN 23 Cb 0.46 -0.32 -0.15 0.00 -0.61 0.00 0.00 39.78 39.16 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 2.77 0.25 0.01 5.41 0.00 -0.95 -3.38 119.26 123.36 1qkh h ALA 24 Ca 0.00 -1.20 -0.36 0.00 0.00 0.00 0.00 54.91 53.35 1qkh h ALA 24 Cb 0.62 0.49 -0.06 0.00 0.00 0.00 0.00 17.79 18.84 1qkh h ALA 24 CO 0.00 1.12 -2.26 1.63 0.00 0.00 0.00 179.25 179.74 1qkh n LYS 25 N -3.54 0.68 -0.01 0.00 5.02 -1.15 -4.99 118.16 114.16 1qkh n LYS 25 Ca -0.25 0.10 0.00 0.00 -2.02 0.00 0.00 58.31 56.14 1qkh n LYS 25 Cb 1.07 -1.58 0.00 0.00 -0.02 0.00 0.00 35.03 34.49 1qkh n LYS 25 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1qkh n GLY 26 N 1.85 0.99 3.76 0.72 0.00 0.82 -5.07 105.19 108.27 1qkh n GLY 26 Ca -0.33 -0.01 -0.40 0.00 0.00 0.00 0.00 46.02 45.27 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 -0.07 4.48 -0.88 1.61 2.02 -0.91 -4.98 118.70 119.97 1qkh s GLU 27 Ca 0.00 1.96 -0.01 0.00 0.02 0.00 0.00 54.97 56.95 1qkh s GLU 27 Cb 0.00 -3.10 0.24 0.00 0.10 0.00 0.00 34.13 31.37 1qkh s GLU 27 CO 0.00 0.02 0.88 1.63 0.02 0.00 0.00 175.26 177.81 1qkh n LYS 28 N 0.94 2.89 0.00 1.61 5.02 -1.26 -4.77 118.16 122.59 1qkh n LYS 28 Ca -0.00 -4.53 0.00 0.00 -2.02 0.00 0.00 58.31 51.76 1qkh n LYS 28 Cb 0.44 -2.40 0.00 0.00 -0.02 0.00 0.00 35.03 33.05 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 1.89 3.85 -4.28 1.97 0.63 -1.26 -4.92 116.66 114.54 1qkh n ARG 29 Ca 0.24 0.00 -0.25 0.00 -0.92 0.00 0.00 57.85 56.92 1qkh n ARG 29 Cb 0.37 0.00 -0.08 0.00 0.45 0.00 0.00 32.46 33.20 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 3.04 0.18 6.15 0.05 -1.26 -1.37 118.68 125.47 1qkh s LEU 30 Ca 0.00 -1.08 0.08 0.00 0.05 0.00 0.00 54.13 53.17 1qkh s LEU 30 Cb 0.00 -1.34 -0.04 0.00 -2.05 0.00 0.00 46.19 42.76 1qkh s LEU 30 CO 0.00 -0.41 -0.15 -0.63 -0.55 0.00 0.00 176.35 174.61 1qkh s ILE 31 N -2.58 1.68 -0.09 1.48 -1.09 -0.36 -4.86 121.20 115.39 1qkh s ILE 31 Ca 0.38 -2.06 0.04 0.00 -2.23 0.00 0.00 60.65 56.78 1qkh s ILE 31 Cb 0.03 -1.91 -0.00 0.00 -1.58 0.00 0.00 42.46 39.00 1qkh s ILE 31 CO 0.21 -0.50 -0.23 -0.54 -1.23 0.00 0.00 174.94 172.64 1qkh s LYS 32 N -3.29 2.88 0.28 2.79 3.01 -1.26 0.16 119.74 124.30 1qkh s LYS 32 Ca 0.19 -0.84 0.12 0.00 -1.01 0.00 0.00 55.97 54.42 1qkh s LYS 32 Cb -0.03 -2.21 -0.05 0.00 -1.01 0.00 0.00 37.83 34.54 1qkh s LYS 32 CO 0.06 0.19 -0.19 0.99 0.51 0.00 0.00 175.35 176.91 1qkh s THR 33 N 0.30 2.54 0.00 2.17 2.01 -1.01 -4.44 115.64 117.22 1qkh s THR 33 Ca -0.17 -2.37 0.00 0.00 0.31 0.00 0.00 61.69 59.47 1qkh s THR 33 Cb -0.17 -2.33 0.00 0.00 0.01 0.00 0.00 72.50 70.01 1qkh s THR 33 CO 0.08 -0.39 0.70 0.79 -0.69 0.00 0.00 174.62 175.11 1qkh n TRP 34 N -0.61 0.00 0.00 4.92 8.01 -1.26 -4.11 117.44 124.39 1qkh n TRP 34 Ca -0.05 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.14 1qkh n TRP 34 Cb 0.60 0.03 0.00 0.00 -2.01 0.00 0.00 31.31 29.93 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 0.00 0.00 -0.01 -0.99 2.88 -1.26 -5.00 113.62 109.25 1qkh n SER 35 Ca 0.00 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.51 1qkh n SER 35 Cb 0.60 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 64.05 1qkh n SER 35 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1qkh n ARG 36 N 0.00 0.18 -1.57 -1.46 3.00 -1.26 -4.28 116.66 111.26 1qkh n ARG 36 Ca 0.00 0.07 -0.37 0.00 -0.01 0.00 0.00 57.85 57.54 1qkh n ARG 36 Cb 0.00 -0.76 0.06 0.00 0.00 0.00 0.00 32.46 31.76 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 -3.65 2.73 -1.61 5.56 0.00 -1.26 -3.84 116.66 114.60 1qkh n ARG 37 Ca -0.05 -3.40 -0.47 0.00 -0.00 0.00 0.00 57.85 53.93 1qkh n ARG 37 Cb 0.18 -2.28 -0.04 0.00 -0.00 0.00 0.00 32.46 30.32 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 -0.77 1.79 -4.30 2.89 7.64 -1.26 -3.75 113.62 115.86 1qkh n SER 38 Ca 0.59 1.14 -0.16 0.00 1.01 0.00 0.00 58.87 61.45 1qkh n SER 38 Cb 0.50 -1.29 -0.10 0.00 -1.01 0.00 0.00 64.21 62.32 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 -0.17 1.26 0.70 0.44 2.01 -0.64 -4.62 115.64 114.62 1qkh s THR 39 Ca 0.71 -2.08 -0.06 0.00 0.31 0.00 0.00 61.69 60.57 1qkh s THR 39 Cb -0.78 -2.07 0.06 0.00 0.01 0.00 0.00 72.50 69.72 1qkh s THR 39 CO 0.52 -0.57 1.00 -0.63 -0.69 0.00 0.00 174.62 174.25 1qkh s ILE 40 N -3.27 2.29 0.32 1.82 1.09 -1.26 -4.00 121.20 118.19 1qkh s ILE 40 Ca 0.22 -0.30 0.04 0.00 -1.10 0.00 0.00 60.65 59.51 1qkh s ILE 40 Cb 0.03 -2.99 -0.03 0.00 -1.06 0.00 0.00 42.46 38.40 1qkh s ILE 40 CO 0.05 0.00 0.17 0.68 -0.10 0.00 0.00 174.94 175.74 1qkh s VAL 41 N -3.22 0.30 0.25 2.92 -7.23 -1.26 -4.37 120.40 107.79 1qkh s VAL 41 Ca 0.60 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.79 1qkh s VAL 41 Cb -0.10 -2.49 0.01 0.00 0.56 0.00 0.00 36.38 34.35 1qkh s VAL 41 CO 0.44 0.00 1.63 1.55 -0.31 0.00 0.00 175.10 178.41 1qkh h PRO 42 N 2.16 0.44 0.00 4.82 0.13 -1.97 -2.76 132.00 134.83 1qkh h PRO 42 Ca -0.32 -0.22 0.00 0.00 -0.87 0.00 0.00 66.00 64.58 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 0.50 0.78 0.00 -0.85 -0.23 0.00 0.00 178.00 178.21 1qkh n GLU 43 N -4.02 0.59 0.00 0.86 0.28 -1.26 -2.60 120.64 114.50 1qkh n GLU 43 Ca -0.02 0.00 0.13 0.00 -0.16 0.00 0.00 57.16 57.12 1qkh n GLU 43 Cb 0.51 -1.47 0.41 0.00 1.43 0.00 0.00 31.44 32.32 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 -0.97 1.03 0.00 3.44 2.81 -1.04 -4.48 117.12 117.90 1qkh n MET 44 Ca 0.13 -0.60 0.00 0.00 -1.81 0.00 0.00 57.70 55.42 1qkh n MET 44 Cb 0.06 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 31.08 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 -0.46 0.00 -2.35 2.03 3.14 -1.07 -1.48 118.33 118.14 1qkh n VAL 45 Ca 0.14 0.00 0.01 0.00 -2.96 0.00 0.00 64.34 61.52 1qkh n VAL 45 Cb 0.35 -0.87 -0.01 0.00 -1.06 0.00 0.00 33.84 32.26 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 -0.59 0.85 3.20 7.55 0.00 -1.26 -3.15 105.19 111.78 1qkh n GLY 46 Ca 0.00 -0.59 -0.10 0.00 0.00 0.00 0.00 46.02 45.33 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 -0.00 0.04 -0.85 1.61 4.02 -0.55 -4.36 115.29 115.20 1qkh s HIS 47 Ca 0.24 -0.28 -0.14 0.00 1.02 0.00 0.00 55.06 55.90 1qkh s HIS 47 Cb 0.27 -0.01 0.22 0.00 -1.02 0.00 0.00 32.58 32.05 1qkh s HIS 47 CO -0.12 -0.47 0.79 0.99 1.02 0.00 0.00 174.74 176.96 1qkh s THR 48 N -2.79 5.64 -0.29 1.30 2.01 -0.47 -1.48 115.64 119.56 1qkh s THR 48 Ca -0.03 -2.54 -0.23 0.00 0.31 0.00 0.00 61.69 59.19 1qkh s THR 48 Cb 0.00 -4.48 -0.00 0.00 0.01 0.00 0.00 72.50 68.03 1qkh s THR 48 CO -0.05 -1.04 0.78 -0.63 -0.69 0.00 0.00 174.62 172.98 1qkh s ILE 49 N 0.06 4.83 -1.15 1.82 1.09 -0.64 -1.22 121.20 125.98 1qkh s ILE 49 Ca 0.19 1.26 -0.21 0.00 -1.10 0.00 0.00 60.65 60.79 1qkh s ILE 49 Cb -0.10 -4.11 0.05 0.00 -1.06 0.00 0.00 42.46 37.23 1qkh s ILE 49 CO -0.09 -0.17 1.64 0.00 -0.10 0.00 0.00 174.94 176.21 1qkh s ALA 50 N 2.87 2.89 0.17 9.38 0.00 0.12 -1.84 121.76 135.36 1qkh s ALA 50 Ca 0.32 -2.52 -0.32 0.00 0.00 0.00 0.00 51.96 49.44 1qkh s ALA 50 Cb -0.15 -4.59 -0.11 0.00 0.00 0.00 0.00 23.12 18.27 1qkh s ALA 50 CO 0.11 -3.62 1.68 0.14 0.00 0.00 0.00 175.76 174.06 1qkh s VAL 51 N 5.23 2.36 -0.55 0.00 -7.23 -0.97 -2.41 120.40 116.84 1qkh s VAL 51 Ca 0.52 0.20 -0.28 0.00 -1.81 0.00 0.00 61.98 60.61 1qkh s VAL 51 Cb 0.01 -3.13 0.02 0.00 0.56 0.00 0.00 36.38 33.85 1qkh s VAL 51 CO 0.00 0.01 1.30 -0.47 -0.31 0.00 0.00 175.10 175.63 1qkh s TYR 52 N 1.45 2.47 -1.62 2.82 5.04 -1.26 -1.68 117.35 124.58 1qkh s TYR 52 Ca 0.74 0.49 0.00 0.00 -2.44 0.00 0.00 57.07 55.86 1qkh s TYR 52 Cb -0.47 -4.44 0.00 0.00 0.35 0.00 0.00 41.96 37.40 1qkh s TYR 52 CO 0.32 -1.76 0.61 -1.71 -1.34 0.00 0.00 175.55 171.67 1qkh n ASN 53 N 8.89 0.28 0.00 4.32 5.15 -0.23 -4.08 115.26 129.58 1qkh n ASN 53 Ca 0.11 -1.50 0.00 0.00 -0.60 0.00 0.00 54.58 52.59 1qkh n ASN 53 Cb 0.49 -0.14 0.00 0.00 -0.53 0.00 0.00 39.78 39.60 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 0.20 2.44 0.00 8.20 0.00 -1.25 -4.72 105.19 110.07 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 -0.53 2.39 -4.16 1.61 2.85 -1.26 -5.04 118.16 114.02 1qkh n LYS 55 Ca 0.00 0.00 -0.16 0.00 -1.05 0.00 0.00 58.31 57.10 1qkh n LYS 55 Cb 0.00 -0.49 -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 -0.65 -0.05 0.00 0.00 177.40 176.70 1qkh s GLN 56 N -0.59 0.80 -0.31 -1.58 -1.52 -1.26 -5.12 119.66 110.09 1qkh s GLN 56 Ca 0.00 -1.01 -0.18 0.00 -1.95 0.00 0.00 55.36 52.22 1qkh s GLN 56 Cb 0.00 -0.68 -0.02 0.00 -0.22 0.00 0.00 33.01 32.10 1qkh s GLN 56 CO 0.00 0.14 0.51 -1.01 -0.25 0.00 0.00 175.29 174.67 1qkh s HIS 57 N -1.69 3.22 -0.79 0.91 3.76 -1.26 -1.07 115.29 118.37 1qkh s HIS 57 Ca -0.00 0.40 -0.07 0.00 -0.15 0.00 0.00 55.06 55.24 1qkh s HIS 57 Cb -0.08 -2.82 0.20 0.00 1.11 0.00 0.00 32.58 30.99 1qkh s HIS 57 CO 0.01 -0.41 0.67 0.08 -0.85 0.00 0.00 174.74 174.25 1qkh s VAL 58 N 2.35 4.67 -0.77 -0.90 1.01 -0.67 -4.79 120.40 121.29 1qkh s VAL 58 Ca 0.20 -3.02 -0.25 0.00 0.00 0.00 0.00 61.98 58.90 1qkh s VAL 58 Cb -0.15 -3.93 -0.07 0.00 0.00 0.00 0.00 36.38 32.23 1qkh s VAL 58 CO 0.11 -1.00 2.13 -2.16 0.00 0.00 0.00 175.10 174.19 1qkh s PRO 59 N -0.35 2.22 -0.20 2.72 0.04 -1.25 -2.29 135.00 135.89 1qkh s PRO 59 Ca 0.21 0.32 -0.06 0.00 0.04 0.00 0.00 61.00 61.50 1qkh s PRO 59 Cb -0.14 -4.80 -0.03 0.00 0.04 0.00 0.00 34.50 29.57 1qkh s PRO 59 CO -0.07 -3.58 0.02 0.14 0.04 0.00 0.00 177.00 173.55 1qkh s VAL 60 N 11.60 4.20 -0.54 -0.36 -7.23 -0.76 -4.70 120.40 122.61 1qkh s VAL 60 Ca 0.80 -0.23 -0.27 0.00 -1.81 0.00 0.00 61.98 60.46 1qkh s VAL 60 Cb -0.11 -2.90 -0.01 0.00 0.56 0.00 0.00 36.38 33.92 1qkh s VAL 60 CO 0.09 0.43 1.70 -0.47 -0.31 0.00 0.00 175.10 176.54 1qkh s TYR 61 N 0.85 1.89 0.09 2.82 6.14 -1.26 -1.63 117.35 126.26 1qkh s TYR 61 Ca 0.02 0.64 -0.31 0.00 0.64 0.00 0.00 57.07 58.05 1qkh s TYR 61 Cb -0.14 -4.20 -0.14 0.00 0.42 0.00 0.00 41.96 37.90 1qkh s TYR 61 CO 0.02 -2.33 1.61 0.82 0.64 0.00 0.00 175.55 176.31 1qkh h ILE 62 N 6.70 0.27 -2.54 3.14 5.03 -1.38 -3.46 117.51 125.27 1qkh h ILE 62 Ca -0.28 0.00 0.31 0.00 -0.12 0.00 0.00 64.86 64.77 1qkh h ILE 62 Cb 1.14 0.27 -0.08 0.00 -3.03 0.00 0.00 36.82 35.12 1qkh h ILE 62 CO 1.17 0.00 -0.45 0.41 -0.68 0.00 0.00 178.15 178.59 1qkh n THR 63 N -5.47 0.00 -1.24 -0.27 -1.04 -1.19 -2.19 114.28 102.89 1qkh n THR 63 Ca -0.10 0.06 -0.20 0.00 -2.04 0.00 0.00 64.05 61.77 1qkh n THR 63 Cb 0.37 -0.44 -0.09 0.00 -1.82 0.00 0.00 70.33 68.35 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 -3.60 2.16 0.00 -2.82 0.00 -1.26 -4.03 120.64 111.10 1qkh n GLU 64 Ca 0.00 -1.73 0.00 0.00 0.00 0.00 0.00 57.16 55.43 1qkh n GLU 64 Cb 0.52 -2.01 0.00 0.00 0.00 0.00 0.00 31.44 29.94 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 1.44 0.00 -0.04 -1.84 6.94 -1.25 -4.99 115.26 115.52 1qkh n ASN 65 Ca 0.44 -0.04 0.04 0.00 -0.02 0.00 0.00 54.58 55.00 1qkh n ASN 65 Cb 0.68 0.00 -0.16 0.00 -2.36 0.00 0.00 39.78 37.94 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 0.00 0.67 -1.09 -3.83 2.81 -0.93 -4.99 117.12 109.76 1qkh n MET 66 Ca 0.00 -0.12 -0.30 0.00 -1.81 0.00 0.00 57.70 55.47 1qkh n MET 66 Cb 0.01 -1.53 0.14 0.00 -0.71 0.00 0.00 33.22 31.13 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 -3.16 2.69 0.00 2.03 0.11 -1.26 -4.54 120.40 116.27 1qkh s VAL 67 Ca -0.08 0.22 0.00 0.00 -2.93 0.00 0.00 61.98 59.19 1qkh s VAL 67 Cb 0.11 -2.61 0.00 0.00 -1.53 0.00 0.00 36.38 32.35 1qkh s VAL 67 CO 0.88 -0.29 0.00 0.61 -3.33 0.00 0.00 175.10 172.97 1qkh n GLY 68 N -0.80 1.45 0.00 6.54 0.00 -1.26 -5.02 105.19 106.10 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 -4.98 115.22 118.84 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 -0.70 0.00 0.00 -0.41 -0.00 -1.26 -4.36 118.16 111.43 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 0.22 -5.58 -0.00 -1.26 -4.54 117.00 105.85 1qkh n LEU 71 Ca 0.00 0.00 0.15 0.00 -0.00 0.00 0.00 56.01 56.16 1qkh n LEU 71 Cb 0.00 0.00 0.59 0.00 -0.00 0.00 0.00 43.42 44.01 1qkh n LEU 71 CO 0.00 0.00 0.94 1.23 -0.00 0.00 0.00 177.39 179.56 1qkh h GLY 72 N 0.00 0.00 1.53 1.47 0.00 -1.93 -0.64 103.07 103.49 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 -0.46 0.83 0.00 0.00 0.00 176.54 176.91 1qkh h GLU 73 N 0.00 0.00 0.00 4.80 4.39 -1.94 -2.34 114.58 119.49 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 0.50 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.15 1qkh h GLU 73 CO 0.00 0.00 -1.65 1.19 -1.16 0.00 0.00 179.01 177.39 1qkh n PHE 74 N -2.84 0.15 -2.72 4.33 3.01 -0.89 -4.47 117.46 114.03 1qkh n PHE 74 Ca 0.02 0.05 -0.16 0.00 1.01 0.00 0.00 57.45 58.37 1qkh n PHE 74 Cb 0.53 -0.49 0.01 0.00 -0.01 0.00 0.00 39.48 39.52 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 -2.11 3.63 -1.28 4.37 0.00 -0.30 -4.94 120.51 119.88 1qkh n ALA 75 Ca -0.02 -3.53 -0.22 0.00 0.00 0.00 0.00 53.44 49.67 1qkh n ALA 75 Cb 0.52 -0.84 -0.11 0.00 0.00 0.00 0.00 19.45 19.03 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 2.48 0.01 0.00 -0.04 -0.88 -4.63 135.00 131.83 1qkh n PRO 76 Ca 0.20 -1.77 -0.11 0.00 -0.04 0.00 0.00 63.50 61.77 1qkh n PRO 76 Cb 0.73 -2.17 -0.06 0.00 -0.04 0.00 0.00 33.50 31.97 1qkh n PRO 76 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 1qkh h THR 77 N 2.13 1.02 -3.36 0.52 2.02 -1.92 -3.40 112.91 109.92 1qkh h THR 77 Ca 0.36 -0.04 -0.57 0.00 0.77 0.00 0.00 66.41 66.93 1qkh h THR 77 Cb 1.03 0.92 -0.06 0.00 -1.74 0.00 0.00 68.15 68.30 1qkh h THR 77 CO 0.69 0.02 0.04 0.00 0.37 0.00 0.00 175.52 176.64 1qkh s ARG 78 N -6.17 4.39 0.16 6.66 1.70 -1.26 -4.87 118.95 119.55 1qkh s ARG 78 Ca -0.13 0.76 0.00 0.00 -0.47 0.00 0.00 55.73 55.89 1qkh s ARG 78 Cb 0.07 -3.46 0.00 0.00 -0.57 0.00 0.00 34.95 30.99 1qkh s ARG 78 CO 0.67 0.05 0.00 2.41 -1.08 0.00 0.00 175.30 177.35 1qkh n THR 79 N 3.85 0.00 0.05 4.99 -1.04 -1.26 -5.19 114.28 115.68 1qkh n THR 79 Ca -0.02 0.00 0.01 0.00 -2.04 0.00 0.00 64.05 61.99 1qkh n THR 79 Cb 0.51 -0.38 0.01 0.00 -1.82 0.00 0.00 70.33 68.65 1qkh n THR 79 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21