#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 3.61 0.06 1.61 -7.23 -1.26 -4.96 120.40 112.23 1qkh s VAL 9 Ca 0.00 1.43 -0.22 0.00 -1.81 0.00 0.00 61.98 61.38 1qkh s VAL 9 Cb 0.00 -3.91 0.05 0.00 0.56 0.00 0.00 36.38 33.08 1qkh s VAL 9 CO 0.00 0.26 0.52 0.12 -0.31 0.00 0.00 175.10 175.70 1qkh s PHE 10 N -0.40 -0.43 -0.07 2.82 2.19 -1.26 -5.12 117.98 115.71 1qkh s PHE 10 Ca 0.50 0.45 -0.00 0.00 0.33 0.00 0.00 56.93 58.21 1qkh s PHE 10 Cb -0.32 0.36 0.02 0.00 -1.31 0.00 0.00 43.02 41.77 1qkh s PHE 10 CO 0.38 -0.66 -0.03 0.54 1.83 0.00 0.00 175.22 177.28 1qkh s VAL 11 N -2.57 0.54 -0.46 3.12 0.11 -1.26 -4.03 120.40 115.85 1qkh s VAL 11 Ca -0.05 -0.03 -0.14 0.00 -2.93 0.00 0.00 61.98 58.83 1qkh s VAL 11 Cb -0.01 -0.63 -0.10 0.00 -1.53 0.00 0.00 36.38 34.12 1qkh s VAL 11 CO -0.03 0.26 1.22 0.47 -3.33 0.00 0.00 175.10 173.70 1qkh n ASP 12 N 4.70 0.09 0.23 3.54 8.00 -1.25 -4.71 116.55 127.15 1qkh n ASP 12 Ca -0.14 0.07 0.10 0.00 0.71 0.00 0.00 54.79 55.52 1qkh n ASP 12 Cb 0.50 -0.41 0.52 0.00 -0.02 0.00 0.00 41.12 41.71 1qkh n ASP 12 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 1qkh h ASP 13 N 5.45 0.00 1.57 -2.24 5.19 -1.96 -1.91 116.42 122.52 1qkh h ASP 13 Ca -0.02 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.37 1qkh h ASP 13 Cb 0.59 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.10 1qkh h ASP 13 CO 0.64 0.23 -0.10 -0.74 -3.12 0.00 0.00 179.24 176.15 1qkh h HIS 14 N 0.00 0.00 0.19 4.55 2.76 -1.95 -2.84 115.15 117.86 1qkh h HIS 14 Ca -0.00 0.00 -0.31 0.00 -2.20 0.00 0.00 60.37 57.85 1qkh h HIS 14 Cb 0.63 0.00 0.02 0.00 1.55 0.00 0.00 27.41 29.61 1qkh h HIS 14 CO 0.00 0.10 -1.42 1.25 -1.30 0.00 0.00 177.93 176.56 1qkh h LEU 15 N 0.00 0.63 -0.55 0.26 5.85 -1.62 -3.30 115.31 116.57 1qkh h LEU 15 Ca -0.00 -0.71 -0.05 0.00 0.84 0.00 0.00 57.88 57.96 1qkh h LEU 15 Cb 0.92 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.72 1qkh h LEU 15 CO 0.01 1.56 0.14 -0.07 -0.34 0.00 0.00 178.44 179.75 1qkh h LEU 16 N 0.11 0.83 -2.39 2.25 4.07 -1.46 0.89 115.31 119.61 1qkh h LEU 16 Ca -0.22 -0.23 0.01 0.00 0.08 0.00 0.00 57.88 57.53 1qkh h LEU 16 Cb 2.08 -0.22 -0.00 0.00 1.08 0.00 0.00 40.66 43.60 1qkh h LEU 16 CO 0.23 0.84 0.20 1.05 -1.08 0.00 0.00 178.44 179.68 1qkh h GLU 17 N 0.79 0.00 0.00 1.13 4.11 -1.58 -0.60 114.58 118.43 1qkh h GLU 17 Ca 0.17 0.00 -0.16 0.00 0.07 0.00 0.00 59.36 59.44 1qkh h GLU 17 Cb 0.33 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.55 1qkh h GLU 17 CO 0.00 0.00 -1.88 1.63 0.07 0.00 0.00 179.01 178.83 1qkh n LYS 18 N -3.14 1.18 0.07 1.06 4.76 -0.83 -4.37 118.16 116.89 1qkh n LYS 18 Ca -0.01 -0.06 -0.16 0.00 -2.87 0.00 0.00 58.31 55.21 1qkh n LYS 18 Cb 0.27 -1.37 -0.07 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 1.37 0.00 -0.18 3.04 0.12 -2.86 116.25 117.75 1qkh h VAL 19 Ca -0.24 -2.47 -0.03 0.00 -1.01 0.00 0.00 66.70 62.95 1qkh h VAL 19 Cb 1.43 2.49 -0.00 0.00 -2.01 0.00 0.00 31.29 33.20 1qkh h VAL 19 CO 0.01 0.74 -0.16 0.17 -1.01 0.00 0.00 177.57 177.32 1qkh h LEU 20 N 0.25 0.00 -0.61 3.16 8.10 -1.38 0.33 115.31 125.16 1qkh h LEU 20 Ca -0.11 0.00 -0.15 0.00 0.11 0.00 0.00 57.88 57.73 1qkh h LEU 20 Cb 1.67 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 41.88 1qkh h LEU 20 CO 0.18 0.16 -0.60 -0.33 -4.11 0.00 0.00 178.44 173.74 1qkh h GLU 21 N 0.00 0.32 0.00 0.17 5.08 -1.74 -1.27 114.58 117.14 1qkh h GLU 21 Ca -0.00 -0.22 -0.16 0.00 -1.00 0.00 0.00 59.36 57.98 1qkh h GLU 21 Cb 0.31 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 1qkh h GLU 21 CO 0.02 0.82 -0.76 -0.07 -1.00 0.00 0.00 179.01 178.02 1qkh h LEU 22 N 0.24 0.00 0.00 1.33 3.38 -0.81 -3.05 115.31 116.39 1qkh h LEU 22 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1qkh h LEU 22 Cb 1.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.87 1qkh h LEU 22 CO 0.10 0.76 -0.14 0.59 0.09 0.00 0.00 178.44 179.84 1qkh n ASN 23 N -3.31 0.30 0.11 -0.43 3.02 0.98 -0.49 115.26 115.44 1qkh n ASN 23 Ca 0.01 0.35 -0.24 0.00 -0.03 0.00 0.00 54.58 54.67 1qkh n ASN 23 Cb 0.83 -0.37 -0.15 0.00 -0.61 0.00 0.00 39.78 39.48 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 2.87 -0.02 0.00 5.41 0.00 -1.13 -3.38 119.26 123.02 1qkh h ALA 24 Ca 0.00 -0.99 -0.17 0.00 0.00 0.00 0.00 54.91 53.75 1qkh h ALA 24 Cb 0.56 0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.63 1qkh h ALA 24 CO 0.00 0.84 -1.98 0.36 0.00 0.00 0.00 179.25 178.47 1qkh n LYS 25 N -3.66 1.00 0.00 0.00 2.85 -1.20 -5.01 118.16 112.14 1qkh n LYS 25 Ca -0.21 -0.07 0.00 0.00 -1.05 0.00 0.00 58.31 56.98 1qkh n LYS 25 Cb 1.09 -1.42 0.00 0.00 -0.65 0.00 0.00 35.03 34.06 1qkh n LYS 25 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1qkh n GLY 26 N 1.79 1.72 3.71 2.58 0.00 0.36 -5.09 105.19 110.26 1qkh n GLY 26 Ca -0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.32 4.55 -0.89 1.61 2.02 0.15 -4.97 118.70 120.85 1qkh s GLU 27 Ca 0.00 1.46 0.00 0.00 0.02 0.00 0.00 54.97 56.46 1qkh s GLU 27 Cb 0.00 -3.44 0.30 0.00 0.10 0.00 0.00 34.13 31.09 1qkh s GLU 27 CO 0.00 -0.07 1.33 1.63 0.02 0.00 0.00 175.26 178.17 1qkh n LYS 28 N 3.87 4.12 0.00 1.61 5.02 -1.26 -4.63 118.16 126.89 1qkh n LYS 28 Ca 0.06 -4.67 0.00 0.00 -2.02 0.00 0.00 58.31 51.69 1qkh n LYS 28 Cb 0.50 -2.40 0.00 0.00 -0.02 0.00 0.00 35.03 33.11 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 0.59 3.92 -4.79 1.97 3.00 -1.26 -4.86 116.66 115.24 1qkh n ARG 29 Ca 0.33 0.00 -0.29 0.00 -0.00 0.00 0.00 57.85 57.89 1qkh n ARG 29 Cb 0.34 0.00 -0.14 0.00 0.00 0.00 0.00 32.46 32.66 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 2.19 -0.23 6.15 2.34 -1.26 -1.75 118.68 126.12 1qkh s LEU 30 Ca 0.00 -0.60 0.02 0.00 0.06 0.00 0.00 54.13 53.61 1qkh s LEU 30 Cb 0.00 -1.21 0.05 0.00 -0.56 0.00 0.00 46.19 44.46 1qkh s LEU 30 CO 0.00 0.23 -0.13 -0.63 -1.06 0.00 0.00 176.35 174.75 1qkh s ILE 31 N -0.84 2.09 0.15 1.48 1.09 -0.89 -4.92 121.20 119.37 1qkh s ILE 31 Ca 0.11 -1.39 -0.09 0.00 -1.10 0.00 0.00 60.65 58.18 1qkh s ILE 31 Cb -0.10 -2.11 -0.06 0.00 -1.06 0.00 0.00 42.46 39.13 1qkh s ILE 31 CO 0.02 0.14 0.47 -0.54 -0.10 0.00 0.00 174.94 174.94 1qkh s LYS 32 N 1.18 3.78 0.16 2.79 3.01 -1.26 -0.38 119.74 129.02 1qkh s LYS 32 Ca -0.04 0.20 -0.00 0.00 -1.01 0.00 0.00 55.97 55.11 1qkh s LYS 32 Cb -0.18 -2.84 -0.04 0.00 -1.01 0.00 0.00 37.83 33.76 1qkh s LYS 32 CO -0.08 0.45 0.07 0.99 0.51 0.00 0.00 175.35 177.29 1qkh s THR 33 N -1.60 0.21 -0.26 2.17 2.01 -1.05 -4.64 115.64 112.48 1qkh s THR 33 Ca 0.40 -1.95 0.22 0.00 0.31 0.00 0.00 61.69 60.67 1qkh s THR 33 Cb -0.13 -2.22 0.51 0.00 0.01 0.00 0.00 72.50 70.67 1qkh s THR 33 CO 0.21 -0.32 1.11 0.79 -0.69 0.00 0.00 174.62 175.72 1qkh n TRP 34 N -0.19 1.32 0.00 4.92 8.01 -1.26 -3.81 117.44 126.43 1qkh n TRP 34 Ca -0.03 -2.13 0.00 0.00 -1.31 0.00 0.00 57.50 54.03 1qkh n TRP 34 Cb 0.64 -0.23 0.00 0.00 -2.01 0.00 0.00 31.31 29.71 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 -0.59 0.00 0.06 -0.99 7.64 -1.26 -5.04 113.62 113.43 1qkh n SER 35 Ca 0.09 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.97 1qkh n SER 35 Cb 0.81 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.01 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 -1.08 1.43 1.74 -1.26 -4.79 116.66 112.69 1qkh n ARG 36 Ca 0.00 0.00 -0.25 0.00 -0.77 0.00 0.00 57.85 56.83 1qkh n ARG 36 Cb 0.00 -0.36 0.06 0.00 -1.02 0.00 0.00 32.46 31.14 1qkh n ARG 36 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 1qkh n ARG 37 N -3.36 2.20 -1.15 5.56 0.00 -1.26 -4.63 116.66 114.01 1qkh n ARG 37 Ca 0.00 -2.35 -0.45 0.00 -0.00 0.00 0.00 57.85 55.06 1qkh n ARG 37 Cb 0.00 -1.92 -0.06 0.00 0.00 0.00 0.00 32.46 30.48 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 -0.26 -0.16 -3.82 6.15 7.64 -1.26 -4.50 113.62 117.42 1qkh n SER 38 Ca 0.45 0.90 -0.10 0.00 1.01 0.00 0.00 58.87 61.13 1qkh n SER 38 Cb 0.65 -0.72 -0.06 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 -0.12 0.08 0.72 0.44 2.01 -1.26 -4.67 115.64 112.85 1qkh s THR 39 Ca 0.67 -1.04 -0.11 0.00 0.31 0.00 0.00 61.69 61.52 1qkh s THR 39 Cb -0.95 -1.48 0.03 0.00 0.01 0.00 0.00 72.50 70.11 1qkh s THR 39 CO 0.44 -0.39 1.11 -0.63 -0.69 0.00 0.00 174.62 174.46 1qkh s ILE 40 N -3.88 3.12 0.34 1.82 1.09 -1.26 -3.92 121.20 118.51 1qkh s ILE 40 Ca 0.09 0.33 0.07 0.00 -1.10 0.00 0.00 60.65 60.04 1qkh s ILE 40 Cb 0.03 -3.36 -0.03 0.00 -1.06 0.00 0.00 42.46 38.04 1qkh s ILE 40 CO -0.07 -0.46 0.29 -0.69 -0.10 0.00 0.00 174.94 173.91 1qkh s VAL 41 N -3.39 0.00 0.25 2.92 1.01 -1.26 -4.32 120.40 115.61 1qkh s VAL 41 Ca 0.59 -1.98 0.04 0.00 0.00 0.00 0.00 61.98 60.63 1qkh s VAL 41 Cb -0.11 -2.51 -0.02 0.00 0.00 0.00 0.00 36.38 33.74 1qkh s VAL 41 CO 0.51 0.00 1.60 1.55 0.00 0.00 0.00 175.10 178.75 1qkh h PRO 42 N 2.12 0.27 0.00 2.72 0.13 -1.99 -2.80 132.00 132.45 1qkh h PRO 42 Ca -0.25 -0.17 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 1qkh h PRO 42 Cb 1.23 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1qkh h PRO 42 CO 0.36 0.74 0.00 0.39 -0.23 0.00 0.00 178.00 179.26 1qkh n GLU 43 N -3.93 0.65 -0.11 0.86 1.02 -1.26 -2.73 120.64 115.14 1qkh n GLU 43 Ca -0.02 0.00 0.12 0.00 -0.02 0.00 0.00 57.16 57.24 1qkh n GLU 43 Cb 0.57 -1.50 0.16 0.00 -0.02 0.00 0.00 31.44 30.65 1qkh n GLU 43 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 1qkh n MET 44 N -1.01 2.36 0.00 3.49 2.81 -1.06 -4.52 117.12 119.19 1qkh n MET 44 Ca 0.16 -2.10 0.00 0.00 -1.81 0.00 0.00 57.70 53.94 1qkh n MET 44 Cb 0.07 -1.48 0.00 0.00 -0.71 0.00 0.00 33.22 31.11 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 1.39 0.10 -2.51 2.03 3.14 -1.11 -2.10 118.33 119.27 1qkh n VAL 45 Ca 0.17 0.03 -0.01 0.00 -2.96 0.00 0.00 64.34 61.56 1qkh n VAL 45 Cb 0.59 -1.03 0.03 0.00 -1.06 0.00 0.00 33.84 32.37 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 -0.96 1.35 3.13 7.55 0.00 -0.94 -4.04 105.19 111.27 1qkh n GLY 46 Ca 0.00 -0.54 -0.10 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.97 0.17 -1.01 1.61 4.02 -0.89 -4.55 115.29 113.66 1qkh s HIS 47 Ca 0.18 -0.46 -0.11 0.00 1.02 0.00 0.00 55.06 55.69 1qkh s HIS 47 Cb 0.29 -0.12 0.25 0.00 -1.02 0.00 0.00 32.58 31.99 1qkh s HIS 47 CO -0.09 -0.38 0.99 0.99 1.02 0.00 0.00 174.74 177.28 1qkh s THR 48 N -2.63 5.84 -0.20 1.30 2.01 -0.71 -1.15 115.64 120.10 1qkh s THR 48 Ca -0.05 -3.06 -0.23 0.00 0.31 0.00 0.00 61.69 58.66 1qkh s THR 48 Cb -0.01 -4.56 -0.02 0.00 0.01 0.00 0.00 72.50 67.92 1qkh s THR 48 CO -0.05 -1.14 0.76 -0.63 -0.69 0.00 0.00 174.62 172.87 1qkh s ILE 49 N -0.68 4.92 -1.09 1.82 1.09 -0.88 -2.09 121.20 124.30 1qkh s ILE 49 Ca 0.26 1.46 -0.22 0.00 -1.10 0.00 0.00 60.65 61.05 1qkh s ILE 49 Cb -0.10 -4.06 0.05 0.00 -1.06 0.00 0.00 42.46 37.28 1qkh s ILE 49 CO -0.08 0.03 1.57 0.00 -0.10 0.00 0.00 174.94 176.36 1qkh s ALA 50 N 2.24 2.78 0.02 9.38 0.00 0.49 -1.34 121.76 135.32 1qkh s ALA 50 Ca 0.34 -2.38 -0.30 0.00 0.00 0.00 0.00 51.96 49.62 1qkh s ALA 50 Cb -0.16 -4.57 -0.08 0.00 0.00 0.00 0.00 23.12 18.31 1qkh s ALA 50 CO 0.10 -3.65 1.86 0.54 0.00 0.00 0.00 175.76 174.61 1qkh s VAL 51 N 5.26 3.15 -0.33 0.00 0.11 -0.75 -2.53 120.40 125.32 1qkh s VAL 51 Ca 0.50 0.24 -0.28 0.00 -2.93 0.00 0.00 61.98 59.51 1qkh s VAL 51 Cb 0.01 -3.15 -0.02 0.00 -1.53 0.00 0.00 36.38 31.68 1qkh s VAL 51 CO -0.04 -0.02 1.86 -0.47 -3.33 0.00 0.00 175.10 173.10 1qkh s TYR 52 N 4.15 1.72 -1.93 1.54 5.04 -1.25 -2.28 117.35 124.34 1qkh s TYR 52 Ca 0.83 0.64 0.00 0.00 -2.44 0.00 0.00 57.07 56.10 1qkh s TYR 52 Cb -0.40 -4.09 0.00 0.00 0.35 0.00 0.00 41.96 37.81 1qkh s TYR 52 CO 0.37 -3.03 0.88 -1.71 -1.34 0.00 0.00 175.55 170.72 1qkh n ASN 53 N 10.65 0.06 0.00 4.32 5.15 0.33 -4.25 115.26 131.52 1qkh n ASN 53 Ca 0.24 -1.82 0.00 0.00 -0.60 0.00 0.00 54.58 52.40 1qkh n ASN 53 Cb 0.47 -0.03 0.00 0.00 -0.53 0.00 0.00 39.78 39.69 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 0.39 2.13 0.00 8.20 0.00 -1.26 -4.72 105.19 109.92 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 -0.34 1.12 -4.21 1.61 2.85 -1.26 -5.12 118.16 112.80 1qkh n LYS 55 Ca 0.00 0.00 -0.17 0.00 -1.05 0.00 0.00 58.31 57.09 1qkh n LYS 55 Cb 0.00 -0.50 -0.11 0.00 -0.65 0.00 0.00 35.03 33.76 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 -0.83 0.94 -0.36 -1.58 -1.52 -1.26 -5.12 119.66 109.94 1qkh s GLN 56 Ca 0.00 -1.16 -0.17 0.00 -1.95 0.00 0.00 55.36 52.08 1qkh s GLN 56 Cb 0.00 -0.82 -0.00 0.00 -0.22 0.00 0.00 33.01 31.97 1qkh s GLN 56 CO 0.00 0.16 0.42 -1.01 -0.25 0.00 0.00 175.29 174.61 1qkh s HIS 57 N -2.00 3.19 -0.65 0.91 3.76 -1.26 -0.51 115.29 118.73 1qkh s HIS 57 Ca 0.06 -0.04 -0.12 0.00 -0.15 0.00 0.00 55.06 54.81 1qkh s HIS 57 Cb -0.06 -2.80 0.17 0.00 1.11 0.00 0.00 32.58 31.00 1qkh s HIS 57 CO 0.02 -0.53 0.56 0.08 -0.85 0.00 0.00 174.74 174.02 1qkh s VAL 58 N 2.16 4.91 -0.88 -0.90 1.01 -0.97 -4.79 120.40 120.95 1qkh s VAL 58 Ca 0.14 -2.16 -0.25 0.00 0.00 0.00 0.00 61.98 59.71 1qkh s VAL 58 Cb -0.16 -4.12 -0.08 0.00 0.00 0.00 0.00 36.38 32.01 1qkh s VAL 58 CO 0.13 -0.91 2.11 -2.16 0.00 0.00 0.00 175.10 174.27 1qkh s PRO 59 N 0.74 2.19 -0.27 2.72 0.04 -1.25 -1.81 135.00 137.37 1qkh s PRO 59 Ca 0.11 -0.05 -0.12 0.00 0.04 0.00 0.00 61.00 60.98 1qkh s PRO 59 Cb -0.20 -4.97 -0.05 0.00 0.04 0.00 0.00 34.50 29.32 1qkh s PRO 59 CO -0.03 -3.81 0.26 0.08 0.04 0.00 0.00 177.00 173.53 1qkh s VAL 60 N 11.88 5.26 -0.53 -0.36 1.01 -0.45 -4.66 120.40 132.56 1qkh s VAL 60 Ca 0.78 0.33 -0.28 0.00 0.00 0.00 0.00 61.98 62.81 1qkh s VAL 60 Cb -0.09 -3.59 0.00 0.00 0.00 0.00 0.00 36.38 32.70 1qkh s VAL 60 CO 0.03 0.23 1.56 -0.47 0.00 0.00 0.00 175.10 176.45 1qkh s TYR 61 N 1.79 2.09 0.05 5.22 6.14 -1.25 -2.06 117.35 129.32 1qkh s TYR 61 Ca 0.10 0.57 -0.24 0.00 0.64 0.00 0.00 57.07 58.14 1qkh s TYR 61 Cb -0.16 -4.29 -0.06 0.00 0.42 0.00 0.00 41.96 37.88 1qkh s TYR 61 CO 0.10 -2.20 0.74 0.42 0.64 0.00 0.00 175.55 175.25 1qkh s ILE 62 N 6.75 4.73 0.00 3.14 1.09 -0.30 -4.92 121.20 131.69 1qkh s ILE 62 Ca 0.60 1.57 0.00 0.00 -1.10 0.00 0.00 60.65 61.72 1qkh s ILE 62 Cb -0.13 -4.09 0.00 0.00 -1.06 0.00 0.00 42.46 37.18 1qkh s ILE 62 CO 0.26 0.39 0.00 0.35 -0.10 0.00 0.00 174.94 175.83 1qkh n THR 63 N 2.70 0.00 1.04 2.92 -2.24 -1.26 -2.22 114.28 115.21 1qkh n THR 63 Ca -0.03 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 61.79 1qkh n THR 63 Cb 0.50 -0.96 0.13 0.00 -2.10 0.00 0.00 70.33 67.91 1qkh n THR 63 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1qkh n GLU 64 N 0.00 1.71 -0.39 -0.78 -0.00 -1.26 -4.07 120.64 115.85 1qkh n GLU 64 Ca 0.00 -1.06 0.00 0.00 -0.00 0.00 0.00 57.16 56.10 1qkh n GLU 64 Cb 0.00 -1.24 0.00 0.00 -0.00 0.00 0.00 31.44 30.20 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 0.36 0.00 -0.21 -1.84 6.94 -1.26 -4.84 115.26 114.40 1qkh n ASN 65 Ca 0.10 -1.57 0.03 0.00 -0.02 0.00 0.00 54.58 53.11 1qkh n ASN 65 Cb 0.26 -0.11 0.02 0.00 -2.36 0.00 0.00 39.78 37.59 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 -0.23 -2.28 -3.83 2.81 -1.26 -5.04 117.12 107.30 1qkh n MET 66 Ca 0.00 -0.83 -0.26 0.00 -1.81 0.00 0.00 57.70 54.80 1qkh n MET 66 Cb 0.61 -1.10 0.05 0.00 -0.71 0.00 0.00 33.22 32.07 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 -0.45 2.91 0.00 2.03 0.11 -1.26 -4.50 120.40 119.24 1qkh s VAL 67 Ca 0.06 -0.13 0.00 0.00 -2.93 0.00 0.00 61.98 58.98 1qkh s VAL 67 Cb 0.04 -3.21 0.00 0.00 -1.53 0.00 0.00 36.38 31.68 1qkh s VAL 67 CO 0.07 -0.22 0.00 0.61 -3.33 0.00 0.00 175.10 172.22 1qkh n GLY 68 N -2.77 1.97 0.00 6.54 0.00 -1.26 -4.99 105.19 104.67 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 -0.43 0.00 0.00 1.61 8.25 -1.26 -4.95 115.22 118.45 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 -0.38 0.00 0.00 -0.41 -0.00 -1.26 -4.19 118.16 111.92 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 0.11 -5.58 -0.00 -1.26 -4.50 117.00 105.77 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 0.46 0.00 -0.00 0.00 0.00 43.42 43.88 1qkh n LEU 71 CO 0.00 0.00 0.86 0.61 -0.00 0.00 0.00 177.39 178.86 1qkh n GLY 72 N 0.00 -1.40 0.18 1.47 0.00 -1.26 -1.82 105.19 102.37 1qkh n GLY 72 Ca 0.00 0.04 0.07 0.00 0.00 0.00 0.00 46.02 46.13 1qkh n GLY 72 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1qkh h GLU 73 N 0.00 0.00 0.00 1.61 4.39 -1.94 -1.40 114.58 117.24 1qkh h GLU 73 Ca 0.00 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.67 1qkh h GLU 73 Cb 0.47 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.12 1qkh h GLU 73 CO 0.00 0.27 -1.75 1.19 -1.16 0.00 0.00 179.01 177.57 1qkh n PHE 74 N -3.19 0.29 -2.80 4.33 3.01 -0.96 -4.47 117.46 113.67 1qkh n PHE 74 Ca 0.03 0.08 -0.18 0.00 1.01 0.00 0.00 57.45 58.39 1qkh n PHE 74 Cb 0.62 -0.67 -0.00 0.00 -0.01 0.00 0.00 39.48 39.41 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 -2.27 3.65 -1.25 4.37 0.00 -0.75 -4.93 120.51 119.31 1qkh n ALA 75 Ca -0.05 -3.74 -0.20 0.00 0.00 0.00 0.00 53.44 49.46 1qkh n ALA 75 Cb 0.61 -0.81 -0.11 0.00 0.00 0.00 0.00 19.45 19.13 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 -0.10 2.28 -1.88 0.00 -0.04 -0.53 -4.78 135.00 129.94 1qkh n PRO 76 Ca 0.24 -1.70 -0.40 0.00 -0.04 0.00 0.00 63.50 61.59 1qkh n PRO 76 Cb 0.67 -2.10 -0.00 0.00 -0.04 0.00 0.00 33.50 32.03 1qkh n PRO 76 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1qkh s THR 77 N -0.52 2.23 -0.18 0.52 -1.32 -1.26 -5.02 115.64 110.09 1qkh s THR 77 Ca 0.63 0.22 -0.06 0.00 -1.21 0.00 0.00 61.69 61.27 1qkh s THR 77 Cb 0.34 -3.14 0.09 0.00 -1.51 0.00 0.00 72.50 68.28 1qkh s THR 77 CO -0.11 0.05 0.37 -0.60 -2.21 0.00 0.00 174.62 172.12 1qkh s ARG 78 N -2.14 0.28 0.45 7.08 6.06 -1.26 -5.12 118.95 124.28 1qkh s ARG 78 Ca 0.54 0.91 0.00 0.00 -2.50 0.00 0.00 55.73 54.68 1qkh s ARG 78 Cb -0.44 0.15 0.00 0.00 0.06 0.00 0.00 34.95 34.72 1qkh s ARG 78 CO 0.58 -0.30 0.00 2.41 -2.50 0.00 0.00 175.30 175.49 1qkh n THR 79 N 5.38 -0.26 1.31 4.11 -1.04 -1.26 -5.34 114.28 117.18 1qkh n THR 79 Ca -0.07 0.54 0.13 0.00 -2.04 0.00 0.00 64.05 62.61 1qkh n THR 79 Cb 0.50 -0.94 0.36 0.00 -1.82 0.00 0.00 70.33 68.42 1qkh n THR 79 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21