#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 0.21 -4.93 1.61 0.31 -1.26 -5.05 118.33 109.22 1qkh n VAL 9 Ca 0.00 0.13 -0.26 0.00 -0.01 0.00 0.00 64.34 64.20 1qkh n VAL 9 Cb 0.00 -1.18 -0.15 0.00 -0.91 0.00 0.00 33.84 31.59 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 -1.19 1.72 -0.39 3.52 2.19 -1.24 -5.06 117.98 117.54 1qkh s PHE 10 Ca -0.01 -0.33 -0.13 0.00 0.33 0.00 0.00 56.93 56.79 1qkh s PHE 10 Cb 0.00 -1.11 0.02 0.00 -1.31 0.00 0.00 43.02 40.63 1qkh s PHE 10 CO 0.01 -0.04 0.26 0.54 1.83 0.00 0.00 175.22 177.82 1qkh s VAL 11 N -0.43 4.93 -0.46 3.12 0.11 -1.26 -1.75 120.40 124.67 1qkh s VAL 11 Ca 0.07 -0.77 -0.39 0.00 -2.93 0.00 0.00 61.98 57.96 1qkh s VAL 11 Cb -0.08 -3.76 -0.15 0.00 -1.53 0.00 0.00 36.38 30.86 1qkh s VAL 11 CO -0.01 -0.28 2.20 -0.67 -3.33 0.00 0.00 175.10 173.01 1qkh n ASP 12 N 5.08 1.41 0.25 3.54 2.03 -1.26 -4.76 116.55 122.84 1qkh n ASP 12 Ca -0.11 0.50 0.13 0.00 0.52 0.00 0.00 54.79 55.82 1qkh n ASP 12 Cb 0.46 -1.09 0.65 0.00 -0.72 0.00 0.00 41.12 40.43 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 11.02 0.00 0.51 1.67 1.82 -1.97 -2.07 116.42 127.40 1qkh h ASP 13 Ca -0.18 0.00 -0.09 0.00 -0.39 0.00 0.00 57.03 56.37 1qkh h ASP 13 Cb 1.36 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 41.36 1qkh h ASP 13 CO 1.08 0.14 -0.44 -0.74 -1.61 0.00 0.00 179.24 177.67 1qkh h HIS 14 N 0.00 0.00 0.21 0.28 2.76 -1.99 -0.70 115.15 115.71 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 0.48 0.00 0.03 0.00 1.55 0.00 0.00 27.41 29.47 1qkh h HIS 14 CO 0.00 0.44 -1.39 1.37 -1.30 0.00 0.00 177.93 177.04 1qkh h LEU 15 N 0.00 0.70 -0.83 0.26 8.10 -1.68 -3.26 115.31 118.60 1qkh h LEU 15 Ca -0.00 -0.75 -0.05 0.00 0.11 0.00 0.00 57.88 57.19 1qkh h LEU 15 Cb 0.81 -0.23 -0.03 0.00 -0.44 0.00 0.00 40.66 40.77 1qkh h LEU 15 CO 0.06 1.58 0.29 -0.07 -4.11 0.00 0.00 178.44 176.19 1qkh h LEU 16 N 0.12 1.07 -2.21 0.17 4.07 -1.26 -0.95 115.31 116.33 1qkh h LEU 16 Ca -0.21 -0.17 0.05 0.00 0.08 0.00 0.00 57.88 57.62 1qkh h LEU 16 Cb 2.10 -0.28 -0.01 0.00 1.08 0.00 0.00 40.66 43.55 1qkh h LEU 16 CO 0.25 0.95 0.26 1.05 -1.08 0.00 0.00 178.44 179.88 1qkh h GLU 17 N 1.12 0.00 0.00 1.13 4.11 -1.17 -0.56 114.58 119.22 1qkh h GLU 17 Ca 0.25 0.00 -0.36 0.00 0.07 0.00 0.00 59.36 59.33 1qkh h GLU 17 Cb 0.23 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.42 1qkh h GLU 17 CO -0.02 0.00 -2.27 1.63 0.07 0.00 0.00 179.01 178.42 1qkh n LYS 18 N -3.48 0.68 -0.04 1.06 4.76 -0.62 -4.16 118.16 116.36 1qkh n LYS 18 Ca 0.01 0.08 -0.12 0.00 -2.87 0.00 0.00 58.31 55.41 1qkh n LYS 18 Cb 0.37 -1.58 0.00 0.00 -1.84 0.00 0.00 35.03 31.99 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 1.30 0.00 -0.18 3.04 -0.11 -2.53 116.25 117.78 1qkh h VAL 19 Ca -0.50 -1.76 -0.02 0.00 -1.01 0.00 0.00 66.70 63.40 1qkh h VAL 19 Cb 2.15 1.70 -0.00 0.00 -2.01 0.00 0.00 31.29 33.12 1qkh h VAL 19 CO 0.02 0.56 -0.11 0.17 -1.01 0.00 0.00 177.57 177.21 1qkh h LEU 20 N 0.56 0.00 -0.43 3.16 8.10 -1.36 0.64 115.31 125.98 1qkh h LEU 20 Ca 0.01 0.00 -0.18 0.00 0.11 0.00 0.00 57.88 57.83 1qkh h LEU 20 Cb 1.13 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 41.34 1qkh h LEU 20 CO 0.11 0.11 -0.77 -0.33 -4.11 0.00 0.00 178.44 173.46 1qkh h GLU 21 N 0.00 0.20 0.00 0.17 5.08 -1.64 -1.82 114.58 116.56 1qkh h GLU 21 Ca -0.00 -0.18 -0.12 0.00 -1.00 0.00 0.00 59.36 58.06 1qkh h GLU 21 Cb 0.25 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 1qkh h GLU 21 CO 0.01 0.87 -0.57 -0.07 -1.00 0.00 0.00 179.01 178.25 1qkh h LEU 22 N 0.13 0.00 0.00 1.33 3.38 -0.55 -2.69 115.31 116.90 1qkh h LEU 22 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1qkh h LEU 22 Cb 1.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.10 1qkh h LEU 22 CO 0.12 0.57 -0.22 0.59 0.09 0.00 0.00 178.44 179.59 1qkh n ASN 23 N -3.50 0.47 0.07 -0.43 3.02 -0.10 -0.12 115.26 114.67 1qkh n ASN 23 Ca 0.00 0.31 -0.23 0.00 -0.03 0.00 0.00 54.58 54.63 1qkh n ASN 23 Cb 0.66 -0.32 -0.15 0.00 -0.61 0.00 0.00 39.78 39.36 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 2.76 0.16 0.00 5.41 0.00 -1.02 -3.38 119.26 123.19 1qkh h ALA 24 Ca 0.00 -1.15 -0.23 0.00 0.00 0.00 0.00 54.91 53.53 1qkh h ALA 24 Cb 0.62 0.46 -0.04 0.00 0.00 0.00 0.00 17.79 18.83 1qkh h ALA 24 CO 0.00 1.03 -2.08 0.36 0.00 0.00 0.00 179.25 178.56 1qkh n LYS 25 N -3.59 0.67 0.00 0.00 -0.00 -1.06 -4.99 118.16 109.19 1qkh n LYS 25 Ca -0.25 -0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.06 1qkh n LYS 25 Cb 1.08 -1.59 0.00 0.00 -0.00 0.00 0.00 35.03 34.52 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 1.55 1.76 3.71 2.58 0.00 0.15 -5.09 105.19 109.86 1qkh n GLY 26 Ca -0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.50 4.52 -0.71 1.61 2.02 0.83 -4.98 118.70 121.48 1qkh s GLU 27 Ca 0.00 1.22 0.03 0.00 0.02 0.00 0.00 54.97 56.24 1qkh s GLU 27 Cb 0.00 -3.45 0.34 0.00 0.10 0.00 0.00 34.13 31.12 1qkh s GLU 27 CO 0.00 0.01 1.23 1.63 0.02 0.00 0.00 175.26 178.15 1qkh n LYS 28 N 3.78 3.90 0.00 1.61 5.02 -1.26 -4.58 118.16 126.64 1qkh n LYS 28 Ca 0.03 -4.79 0.00 0.00 -2.02 0.00 0.00 58.31 51.53 1qkh n LYS 28 Cb 0.51 -2.31 0.00 0.00 -0.02 0.00 0.00 35.03 33.21 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 -0.20 2.00 -4.17 1.97 0.00 -1.26 -4.82 116.66 110.18 1qkh n ARG 29 Ca 0.36 0.00 -0.15 0.00 -0.00 0.00 0.00 57.85 58.06 1qkh n ARG 29 Cb 0.36 0.00 -0.11 0.00 0.00 0.00 0.00 32.46 32.71 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 2.37 -0.13 6.15 0.05 -1.26 -1.35 118.68 124.51 1qkh s LEU 30 Ca 0.00 -0.76 -0.00 0.00 0.05 0.00 0.00 54.13 53.42 1qkh s LEU 30 Cb 0.00 -0.35 0.02 0.00 -2.05 0.00 0.00 46.19 43.81 1qkh s LEU 30 CO 0.00 -0.21 -0.10 -0.63 -0.55 0.00 0.00 176.35 174.85 1qkh s ILE 31 N -2.12 1.26 0.24 1.48 1.01 -0.98 -4.91 121.20 117.18 1qkh s ILE 31 Ca 0.03 -0.44 0.05 0.00 0.00 0.00 0.00 60.65 60.29 1qkh s ILE 31 Cb -0.05 -1.23 -0.03 0.00 0.01 0.00 0.00 42.46 41.16 1qkh s ILE 31 CO 0.01 0.41 0.35 -1.59 0.00 0.00 0.00 174.94 174.12 1qkh s LYS 32 N 1.61 3.41 0.18 2.79 0.00 -1.26 0.51 119.74 126.98 1qkh s LYS 32 Ca 0.05 -0.78 -0.02 0.00 0.00 0.00 0.00 55.97 55.22 1qkh s LYS 32 Cb -0.13 -2.87 -0.04 0.00 0.00 0.00 0.00 37.83 34.80 1qkh s LYS 32 CO -0.09 0.43 0.14 0.99 0.00 0.00 0.00 175.35 176.82 1qkh s THR 33 N -1.99 0.03 -0.26 3.79 2.01 -0.98 -4.75 115.64 113.49 1qkh s THR 33 Ca 0.34 -1.91 0.21 0.00 0.31 0.00 0.00 61.69 60.64 1qkh s THR 33 Cb -0.09 -2.34 0.48 0.00 0.01 0.00 0.00 72.50 70.56 1qkh s THR 33 CO 0.29 -0.13 1.21 0.79 -0.69 0.00 0.00 174.62 176.09 1qkh n TRP 34 N -0.23 0.46 0.00 4.92 8.01 -1.26 -3.99 117.44 125.34 1qkh n TRP 34 Ca -0.00 -1.94 0.00 0.00 -1.31 0.00 0.00 57.50 54.25 1qkh n TRP 34 Cb 0.65 0.17 0.00 0.00 -2.01 0.00 0.00 31.31 30.12 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 -0.74 0.00 0.16 -0.99 2.88 -1.26 -5.06 113.62 108.61 1qkh n SER 35 Ca 0.01 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.55 1qkh n SER 35 Cb 0.83 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.29 1qkh n SER 35 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 1qkh n ARG 36 N 0.00 0.00 -1.31 -1.46 0.63 -1.26 -4.80 116.66 108.47 1qkh n ARG 36 Ca 0.00 0.00 -0.27 0.00 -0.92 0.00 0.00 57.85 56.66 1qkh n ARG 36 Cb 0.00 0.00 0.12 0.00 0.45 0.00 0.00 32.46 33.03 1qkh n ARG 36 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 1qkh n ARG 37 N -3.30 2.54 -1.70 -0.14 3.00 -1.26 -3.48 116.66 112.31 1qkh n ARG 37 Ca 0.00 -3.27 -0.65 0.00 -0.01 0.00 0.00 57.85 53.92 1qkh n ARG 37 Cb 0.00 -2.20 -0.09 0.00 0.00 0.00 0.00 32.46 30.17 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 -1.00 1.14 -4.45 0.55 7.64 -1.24 -3.60 113.62 112.66 1qkh n SER 38 Ca 0.57 1.17 -0.24 0.00 1.01 0.00 0.00 58.87 61.38 1qkh n SER 38 Cb 1.06 -0.92 -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 2.50 2.37 0.69 0.44 2.01 -0.71 -4.53 115.64 118.41 1qkh s THR 39 Ca 1.02 -2.31 -0.06 0.00 0.31 0.00 0.00 61.69 60.64 1qkh s THR 39 Cb -1.41 -2.23 0.05 0.00 0.01 0.00 0.00 72.50 68.93 1qkh s THR 39 CO 0.75 -0.37 0.99 -0.63 -0.69 0.00 0.00 174.62 174.68 1qkh s ILE 40 N -2.39 2.46 0.35 1.82 1.09 -1.26 -4.35 121.20 118.91 1qkh s ILE 40 Ca 0.27 -0.25 0.07 0.00 -1.10 0.00 0.00 60.65 59.65 1qkh s ILE 40 Cb -0.05 -3.06 -0.03 0.00 -1.06 0.00 0.00 42.46 38.26 1qkh s ILE 40 CO 0.13 -0.06 0.26 0.68 -0.10 0.00 0.00 174.94 175.85 1qkh s VAL 41 N -3.20 0.09 0.31 2.92 -7.23 -1.26 -4.35 120.40 107.69 1qkh s VAL 41 Ca 0.59 -2.00 0.08 0.00 -1.81 0.00 0.00 61.98 58.84 1qkh s VAL 41 Cb -0.11 -2.46 0.05 0.00 0.56 0.00 0.00 36.38 34.42 1qkh s VAL 41 CO 0.45 0.00 1.73 1.55 -0.31 0.00 0.00 175.10 178.52 1qkh h PRO 42 N 2.05 0.19 0.00 4.82 0.13 -1.98 -2.59 132.00 134.62 1qkh h PRO 42 Ca -0.26 -0.09 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 1qkh h PRO 42 Cb 1.24 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1qkh h PRO 42 CO 0.39 0.56 0.00 0.39 -0.23 0.00 0.00 178.00 179.11 1qkh n GLU 43 N -4.04 0.32 -0.00 0.86 -0.58 -1.26 -2.54 120.64 113.39 1qkh n GLU 43 Ca -0.01 0.09 0.13 0.00 -0.42 0.00 0.00 57.16 56.95 1qkh n GLU 43 Cb 0.46 -1.50 0.37 0.00 -0.57 0.00 0.00 31.44 30.20 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 -1.18 1.91 0.00 3.49 2.81 -0.97 -4.43 117.12 118.75 1qkh n MET 44 Ca 0.09 -1.33 0.00 0.00 -1.81 0.00 0.00 57.70 54.65 1qkh n MET 44 Cb 0.10 -1.47 0.00 0.00 -0.71 0.00 0.00 33.22 31.13 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 0.62 0.48 -2.49 2.03 3.14 -1.05 -1.45 118.33 119.61 1qkh n VAL 45 Ca 0.17 0.20 0.00 0.00 -2.96 0.00 0.00 64.34 61.75 1qkh n VAL 45 Cb 0.45 -1.20 0.02 0.00 -1.06 0.00 0.00 33.84 32.05 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 -1.00 1.17 3.08 7.55 0.00 -0.99 -4.06 105.19 110.93 1qkh n GLY 46 Ca 0.00 -0.66 -0.10 0.00 0.00 0.00 0.00 46.02 45.27 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 -0.82 0.19 -1.02 1.61 4.02 -0.53 -4.49 115.29 114.25 1qkh s HIS 47 Ca 0.23 -0.43 -0.11 0.00 1.02 0.00 0.00 55.06 55.77 1qkh s HIS 47 Cb 0.30 -0.14 0.25 0.00 -1.02 0.00 0.00 32.58 31.97 1qkh s HIS 47 CO -0.10 -0.30 1.01 0.99 1.02 0.00 0.00 174.74 177.35 1qkh s THR 48 N -2.04 5.84 -0.41 1.30 2.01 -0.45 -0.93 115.64 120.96 1qkh s THR 48 Ca -0.10 -3.07 -0.29 0.00 0.31 0.00 0.00 61.69 58.54 1qkh s THR 48 Cb -0.05 -4.57 0.02 0.00 0.01 0.00 0.00 72.50 67.91 1qkh s THR 48 CO -0.02 -1.15 1.19 -0.63 -0.69 0.00 0.00 174.62 173.32 1qkh s ILE 49 N -0.67 4.22 -1.26 1.82 -1.09 -0.87 -2.33 121.20 121.01 1qkh s ILE 49 Ca 0.27 1.30 -0.20 0.00 -2.23 0.00 0.00 60.65 59.79 1qkh s ILE 49 Cb -0.10 -4.44 0.01 0.00 -1.58 0.00 0.00 42.46 36.36 1qkh s ILE 49 CO -0.08 -0.77 1.81 0.00 -1.23 0.00 0.00 174.94 174.66 1qkh n ALA 50 N 7.75 2.96 -1.82 9.38 0.00 0.18 -1.48 120.51 137.49 1qkh n ALA 50 Ca 0.13 -3.56 -0.42 0.00 0.00 0.00 0.00 53.44 49.59 1qkh n ALA 50 Cb 0.48 -3.56 -0.02 0.00 0.00 0.00 0.00 19.45 16.34 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 6.59 2.30 -0.61 0.00 -7.23 -0.75 -2.32 120.40 118.38 1qkh s VAL 51 Ca 0.59 0.23 -0.28 0.00 -1.81 0.00 0.00 61.98 60.71 1qkh s VAL 51 Cb 0.02 -3.14 0.02 0.00 0.56 0.00 0.00 36.38 33.84 1qkh s VAL 51 CO 0.10 0.03 1.40 -0.47 -0.31 0.00 0.00 175.10 175.84 1qkh s TYR 52 N 0.66 2.26 -1.93 2.82 5.04 -1.25 -1.31 117.35 123.64 1qkh s TYR 52 Ca 0.68 0.36 0.15 0.00 -2.44 0.00 0.00 57.07 55.83 1qkh s TYR 52 Cb -0.46 -4.44 0.90 0.00 0.35 0.00 0.00 41.96 38.31 1qkh s TYR 52 CO 0.38 -1.99 1.35 -1.71 -1.34 0.00 0.00 175.55 172.23 1qkh n ASN 53 N 9.70 0.00 0.00 4.32 5.15 0.32 -3.72 115.26 131.04 1qkh n ASN 53 Ca 0.10 -0.42 0.00 0.00 -0.60 0.00 0.00 54.58 53.67 1qkh n ASN 53 Cb 0.49 -0.03 0.00 0.00 -0.53 0.00 0.00 39.78 39.71 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 -0.03 2.22 0.00 8.20 0.00 -1.23 -4.82 105.19 109.54 1qkh n GLY 54 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.04 0.16 -4.15 1.61 2.85 -1.26 -5.01 118.16 112.33 1qkh n LYS 55 Ca 0.00 0.00 -0.12 0.00 -1.05 0.00 0.00 58.31 57.14 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 -0.97 0.76 -0.52 -1.58 1.03 -1.26 -5.11 119.66 112.01 1qkh s GLN 56 Ca 0.00 -1.13 -0.15 0.00 0.04 0.00 0.00 55.36 54.11 1qkh s GLN 56 Cb 0.00 -0.34 0.12 0.00 0.03 0.00 0.00 33.01 32.82 1qkh s GLN 56 CO 0.00 0.03 0.47 -1.01 -2.54 0.00 0.00 175.29 172.25 1qkh s HIS 57 N -2.66 3.26 -0.58 9.60 3.76 -1.26 -0.52 115.29 126.89 1qkh s HIS 57 Ca 0.04 -1.30 -0.23 0.00 -0.15 0.00 0.00 55.06 53.42 1qkh s HIS 57 Cb -0.01 -3.69 0.05 0.00 1.11 0.00 0.00 32.58 30.04 1qkh s HIS 57 CO -0.02 -0.99 0.93 0.08 -0.85 0.00 0.00 174.74 173.89 1qkh s VAL 58 N 1.58 4.40 -0.88 -0.90 1.01 -0.42 -4.63 120.40 120.55 1qkh s VAL 58 Ca 0.03 0.04 -0.25 0.00 0.00 0.00 0.00 61.98 61.81 1qkh s VAL 58 Cb -0.29 -4.57 -0.06 0.00 0.00 0.00 0.00 36.38 31.46 1qkh s VAL 58 CO 0.03 -1.20 2.03 -2.16 0.00 0.00 0.00 175.10 173.81 1qkh s PRO 59 N 3.91 2.37 -0.40 2.72 0.04 -1.25 -1.81 135.00 140.58 1qkh s PRO 59 Ca 0.27 -0.15 -0.19 0.00 0.04 0.00 0.00 61.00 60.97 1qkh s PRO 59 Cb -0.14 -5.01 0.01 0.00 0.04 0.00 0.00 34.50 29.40 1qkh s PRO 59 CO 0.16 -3.59 0.52 0.14 0.04 0.00 0.00 177.00 174.27 1qkh s VAL 60 N 10.99 4.99 -0.58 -0.36 -7.23 -0.55 -4.66 120.40 122.99 1qkh s VAL 60 Ca 0.74 0.04 -0.27 0.00 -1.81 0.00 0.00 61.98 60.68 1qkh s VAL 60 Cb -0.08 -4.06 -0.02 0.00 0.56 0.00 0.00 36.38 32.78 1qkh s VAL 60 CO 0.01 -0.40 1.83 -0.47 -0.31 0.00 0.00 175.10 175.76 1qkh s TYR 61 N 2.43 1.71 0.25 2.82 6.14 -1.25 -2.05 117.35 127.40 1qkh s TYR 61 Ca 0.17 0.76 -0.28 0.00 0.64 0.00 0.00 57.07 58.36 1qkh s TYR 61 Cb -0.16 -4.11 -0.09 0.00 0.42 0.00 0.00 41.96 38.03 1qkh s TYR 61 CO 0.15 -2.35 0.91 0.42 0.64 0.00 0.00 175.55 175.32 1qkh s ILE 62 N 8.71 4.17 0.00 3.14 1.09 -0.11 -4.91 121.20 133.29 1qkh s ILE 62 Ca 0.68 1.93 0.00 0.00 -1.10 0.00 0.00 60.65 62.16 1qkh s ILE 62 Cb -0.13 -4.20 0.00 0.00 -1.06 0.00 0.00 42.46 37.07 1qkh s ILE 62 CO 0.22 0.40 0.00 0.35 -0.10 0.00 0.00 174.94 175.81 1qkh n THR 63 N 1.23 0.00 0.71 2.92 -2.24 -1.26 -2.35 114.28 113.29 1qkh n THR 63 Ca -0.01 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.89 1qkh n THR 63 Cb 0.48 -0.10 0.23 0.00 -2.10 0.00 0.00 70.33 68.84 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 0.00 0.20 -0.67 -0.78 1.02 -1.26 -3.89 120.64 115.25 1qkh n GLU 64 Ca 0.00 0.07 0.06 0.00 -0.02 0.00 0.00 57.16 57.26 1qkh n GLU 64 Cb 0.00 -1.63 0.14 0.00 -0.02 0.00 0.00 31.44 29.93 1qkh n GLU 64 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1qkh n ASN 65 N -1.93 1.56 -0.02 1.62 5.03 -1.26 -4.73 115.26 115.54 1qkh n ASN 65 Ca 0.04 -3.23 -0.02 0.00 0.87 0.00 0.00 54.58 52.25 1qkh n ASN 65 Cb 0.41 -0.44 -0.03 0.00 -1.02 0.00 0.00 39.78 38.70 1qkh n ASN 65 CO 0.00 0.00 0.00 0.23 -1.83 0.00 0.00 177.26 175.66 1qkh n MET 66 N -0.77 3.06 -0.95 3.52 2.81 -1.26 -5.05 117.12 118.48 1qkh n MET 66 Ca 0.14 -0.01 -0.30 0.00 -1.81 0.00 0.00 57.70 55.73 1qkh n MET 66 Cb 0.77 -1.10 0.16 0.00 -0.71 0.00 0.00 33.22 32.35 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 -2.11 2.47 0.00 2.03 0.11 -1.26 -4.54 120.40 117.10 1qkh s VAL 67 Ca -0.02 0.15 0.00 0.00 -2.93 0.00 0.00 61.98 59.18 1qkh s VAL 67 Cb 0.01 -2.43 0.00 0.00 -1.53 0.00 0.00 36.38 32.43 1qkh s VAL 67 CO 0.16 -0.20 0.00 0.61 -3.33 0.00 0.00 175.10 172.34 1qkh n GLY 68 N -0.42 1.37 0.00 6.54 0.00 -1.26 -5.02 105.19 106.40 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 -2.32 115.22 121.49 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 -0.55 0.00 0.00 -0.41 -0.00 -1.26 -1.57 118.16 114.37 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 0.15 -5.58 -0.00 -1.26 -4.52 117.00 105.79 1qkh n LEU 71 Ca 0.00 0.00 0.13 0.00 -0.00 0.00 0.00 56.01 56.14 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 0.88 1.23 -0.00 0.00 0.00 177.39 179.50 1qkh h GLY 72 N 0.00 0.00 1.37 1.47 0.00 -1.93 0.59 103.07 104.56 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 -0.59 0.83 0.00 0.00 0.00 176.54 176.78 1qkh h GLU 73 N 0.00 0.00 0.00 4.80 4.39 -1.94 -2.76 114.58 119.07 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 0.47 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.12 1qkh h GLU 73 CO 0.00 0.00 -1.54 1.19 -1.16 0.00 0.00 179.01 177.50 1qkh n PHE 74 N -2.68 0.00 -3.09 4.33 3.01 -0.96 -4.65 117.46 113.42 1qkh n PHE 74 Ca 0.02 0.00 -0.17 0.00 1.01 0.00 0.00 57.45 58.31 1qkh n PHE 74 Cb 0.52 -0.30 -0.02 0.00 -0.01 0.00 0.00 39.48 39.67 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 -1.92 2.36 -1.21 4.37 0.00 0.16 -4.96 120.51 119.30 1qkh n ALA 75 Ca -0.02 -3.41 -0.20 0.00 0.00 0.00 0.00 53.44 49.81 1qkh n ALA 75 Cb 0.39 -0.92 -0.07 0.00 0.00 0.00 0.00 19.45 18.85 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 0.20 2.12 -4.02 0.00 -0.04 -1.04 -4.70 135.00 127.52 1qkh n PRO 76 Ca 0.23 -1.74 -0.30 0.00 -0.04 0.00 0.00 63.50 61.65 1qkh n PRO 76 Cb 0.68 -1.96 -0.01 0.00 -0.04 0.00 0.00 33.50 32.16 1qkh n PRO 76 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1qkh n THR 77 N 1.26 -2.27 -3.66 0.52 -1.04 -1.26 -4.95 114.28 102.87 1qkh n THR 77 Ca 0.42 -0.24 -0.14 0.00 -2.04 0.00 0.00 64.05 62.04 1qkh n THR 77 Cb 0.65 -2.43 -0.08 0.00 -1.82 0.00 0.00 70.33 66.65 1qkh n THR 77 CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 1qkh s ARG 78 N -6.66 0.74 0.80 -2.82 3.00 -1.26 -5.17 118.95 107.58 1qkh s ARG 78 Ca 0.38 0.51 -0.12 0.00 -1.00 0.00 0.00 55.73 55.50 1qkh s ARG 78 Cb -0.20 0.35 0.07 0.00 0.00 0.00 0.00 34.95 35.18 1qkh s ARG 78 CO 0.89 -0.15 1.15 -0.08 0.00 0.00 0.00 175.30 177.11 1qkh s THR 79 N -0.28 2.38 -2.00 4.11 -1.32 -1.26 -4.92 115.64 112.35 1qkh s THR 79 Ca -0.05 0.12 0.25 0.00 -1.21 0.00 0.00 61.69 60.81 1qkh s THR 79 Cb -0.03 -3.08 0.71 0.00 -1.51 0.00 0.00 72.50 68.59 1qkh s THR 79 CO 0.03 -0.16 1.85 0.00 -2.21 0.00 0.00 174.62 174.13