#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 4.71 -0.00 1.61 -7.23 -1.26 -5.07 120.40 113.15 1qkh s VAL 9 Ca 0.00 0.83 0.04 0.00 -1.81 0.00 0.00 61.98 61.04 1qkh s VAL 9 Cb 0.00 -3.84 -0.03 0.00 0.56 0.00 0.00 36.38 33.06 1qkh s VAL 9 CO 0.00 -1.03 -0.11 0.12 -0.31 0.00 0.00 175.10 173.78 1qkh s PHE 10 N -3.02 2.78 -0.28 2.82 2.19 -1.26 -5.05 117.98 116.17 1qkh s PHE 10 Ca 0.54 -0.11 -0.08 0.00 0.33 0.00 0.00 56.93 57.62 1qkh s PHE 10 Cb -0.11 -1.59 -0.02 0.00 -1.31 0.00 0.00 43.02 40.00 1qkh s PHE 10 CO 0.49 0.31 0.11 0.08 1.83 0.00 0.00 175.22 178.03 1qkh s VAL 11 N -0.92 4.41 -0.42 3.12 1.01 -1.26 -1.65 120.40 124.69 1qkh s VAL 11 Ca 0.15 -0.33 -0.41 0.00 0.00 0.00 0.00 61.98 61.39 1qkh s VAL 11 Cb -0.11 -3.17 -0.16 0.00 0.00 0.00 0.00 36.38 32.94 1qkh s VAL 11 CO 0.05 0.19 2.03 -0.67 0.00 0.00 0.00 175.10 176.71 1qkh n ASP 12 N 4.94 1.46 0.25 3.32 2.03 -1.26 -4.77 116.55 122.52 1qkh n ASP 12 Ca -0.15 0.72 0.13 0.00 0.52 0.00 0.00 54.79 56.02 1qkh n ASP 12 Cb 0.50 -1.04 0.55 0.00 -0.72 0.00 0.00 41.12 40.41 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 9.26 0.00 0.75 1.67 3.58 -1.96 -2.68 116.42 127.04 1qkh h ASP 13 Ca -0.25 0.00 -0.05 0.00 0.42 0.00 0.00 57.03 57.15 1qkh h ASP 13 Cb 1.37 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.41 1qkh h ASP 13 CO 1.04 0.11 -0.26 -0.74 -2.88 0.00 0.00 179.24 176.51 1qkh h HIS 14 N 0.00 0.00 0.07 0.28 2.76 -1.96 -2.38 115.15 113.92 1qkh h HIS 14 Ca -0.00 0.00 -0.27 0.00 -2.20 0.00 0.00 60.37 57.90 1qkh h HIS 14 Cb 0.65 0.00 0.01 0.00 1.55 0.00 0.00 27.41 29.62 1qkh h HIS 14 CO 0.00 0.26 -1.13 1.37 -1.30 0.00 0.00 177.93 177.13 1qkh h LEU 15 N 0.00 0.67 -0.26 0.26 8.10 -1.73 -3.28 115.31 119.07 1qkh h LEU 15 Ca -0.00 -0.60 -0.01 0.00 0.11 0.00 0.00 57.88 57.37 1qkh h LEU 15 Cb 0.71 -0.21 -0.01 0.00 -0.44 0.00 0.00 40.66 40.70 1qkh h LEU 15 CO 0.03 1.42 0.12 -0.07 -4.11 0.00 0.00 178.44 175.84 1qkh h LEU 16 N 0.23 0.35 -1.79 0.17 3.38 -1.51 0.65 115.31 116.78 1qkh h LEU 16 Ca -0.14 -0.13 0.09 0.00 0.09 0.00 0.00 57.88 57.79 1qkh h LEU 16 Cb 1.80 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 42.45 1qkh h LEU 16 CO 0.20 0.38 0.51 1.05 0.09 0.00 0.00 178.44 180.67 1qkh h GLU 17 N 0.29 0.00 0.00 1.13 4.11 -1.49 1.00 114.58 119.61 1qkh h GLU 17 Ca 0.09 0.00 -0.26 0.00 0.07 0.00 0.00 59.36 59.26 1qkh h GLU 17 Cb 0.13 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.33 1qkh h GLU 17 CO -0.01 0.00 -1.99 1.63 0.07 0.00 0.00 179.01 178.71 1qkh n LYS 18 N -3.33 1.24 -0.02 1.06 5.02 -0.67 -4.37 118.16 117.10 1qkh n LYS 18 Ca 0.05 0.03 -0.17 0.00 -2.02 0.00 0.00 58.31 56.21 1qkh n LYS 18 Cb 0.64 -1.36 -0.06 0.00 -0.02 0.00 0.00 35.03 34.23 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 0.00 -0.18 3.04 0.13 -2.67 116.25 117.85 1qkh h VAL 19 Ca -0.39 -1.97 -0.02 0.00 -1.01 0.00 0.00 66.70 63.31 1qkh h VAL 19 Cb 1.78 1.96 -0.00 0.00 -2.01 0.00 0.00 31.29 33.02 1qkh h VAL 19 CO -0.01 0.62 -0.11 0.17 -1.01 0.00 0.00 177.57 177.23 1qkh h LEU 20 N 0.54 0.00 -0.54 3.16 8.10 -1.07 0.96 115.31 126.46 1qkh h LEU 20 Ca -0.05 0.00 -0.16 0.00 0.11 0.00 0.00 57.88 57.78 1qkh h LEU 20 Cb 1.39 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 41.60 1qkh h LEU 20 CO 0.16 0.11 -0.69 -0.08 -4.11 0.00 0.00 178.44 173.83 1qkh h GLU 21 N 0.00 0.22 0.00 0.17 4.22 -1.71 -2.42 114.58 115.06 1qkh h GLU 21 Ca -0.00 -0.17 -0.08 0.00 0.08 0.00 0.00 59.36 59.19 1qkh h GLU 21 Cb 0.24 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 1qkh h GLU 21 CO 0.01 0.82 -0.37 -0.07 -2.18 0.00 0.00 179.01 177.23 1qkh h LEU 22 N 0.15 0.00 0.00 1.64 3.38 -0.58 -2.94 115.31 116.96 1qkh h LEU 22 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1qkh h LEU 22 Cb 1.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.98 1qkh h LEU 22 CO 0.11 0.37 -0.16 0.59 0.09 0.00 0.00 178.44 179.43 1qkh n ASN 23 N -3.25 0.36 0.10 -0.43 3.02 0.09 -0.52 115.26 114.62 1qkh n ASN 23 Ca 0.02 0.34 -0.23 0.00 -0.03 0.00 0.00 54.58 54.67 1qkh n ASN 23 Cb 0.64 -0.36 -0.15 0.00 -0.61 0.00 0.00 39.78 39.29 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 2.84 0.06 0.00 5.41 0.00 -1.26 -3.38 119.26 122.93 1qkh h ALA 24 Ca 0.00 -1.05 -0.10 0.00 0.00 0.00 0.00 54.91 53.75 1qkh h ALA 24 Cb 0.58 0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 1qkh h ALA 24 CO 0.00 0.92 -1.95 0.36 0.00 0.00 0.00 179.25 178.59 1qkh n LYS 25 N -3.63 0.78 0.00 0.00 -0.00 -1.21 -5.00 118.16 109.10 1qkh n LYS 25 Ca -0.22 -0.11 0.00 0.00 -0.00 0.00 0.00 58.31 57.98 1qkh n LYS 25 Cb 1.09 -1.44 0.00 0.00 -0.00 0.00 0.00 35.03 34.68 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 1.63 1.92 3.71 2.58 0.00 0.32 -5.07 105.19 110.27 1qkh n GLY 26 Ca -0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.81 4.48 -0.86 1.61 2.02 0.23 -4.96 118.70 120.41 1qkh s GLU 27 Ca 0.00 1.66 0.01 0.00 0.02 0.00 0.00 54.97 56.66 1qkh s GLU 27 Cb 0.00 -3.38 0.33 0.00 0.10 0.00 0.00 34.13 31.18 1qkh s GLU 27 CO 0.00 -0.17 1.51 1.63 0.02 0.00 0.00 175.26 178.25 1qkh n LYS 28 N 3.83 4.60 0.00 1.61 5.02 -1.26 -4.70 118.16 127.26 1qkh n LYS 28 Ca 0.08 -4.72 0.00 0.00 -2.02 0.00 0.00 58.31 51.65 1qkh n LYS 28 Cb 0.48 -2.38 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 -0.14 3.63 -4.63 1.97 0.63 -1.26 -4.87 116.66 111.98 1qkh n ARG 29 Ca 0.41 0.00 -0.26 0.00 -0.92 0.00 0.00 57.85 57.09 1qkh n ARG 29 Cb 0.31 0.00 -0.14 0.00 0.45 0.00 0.00 32.46 33.08 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 2.17 -0.21 6.15 2.34 -1.26 -2.05 118.68 125.83 1qkh s LEU 30 Ca 0.00 -0.53 -0.02 0.00 0.06 0.00 0.00 54.13 53.63 1qkh s LEU 30 Cb 0.00 -0.98 0.00 0.00 -0.56 0.00 0.00 46.19 44.65 1qkh s LEU 30 CO 0.00 0.16 -0.09 -0.63 -1.06 0.00 0.00 176.35 174.72 1qkh s ILE 31 N -0.82 2.93 0.52 1.48 1.09 -0.97 -4.92 121.20 120.52 1qkh s ILE 31 Ca 0.08 -0.66 -0.16 0.00 -1.10 0.00 0.00 60.65 58.81 1qkh s ILE 31 Cb -0.09 -2.31 -0.07 0.00 -1.06 0.00 0.00 42.46 38.92 1qkh s ILE 31 CO 0.02 0.45 0.99 -0.54 -0.10 0.00 0.00 174.94 175.76 1qkh s LYS 32 N 1.41 3.90 0.03 2.79 -0.14 -1.26 0.05 119.74 126.52 1qkh s LYS 32 Ca 0.05 0.97 -0.02 0.00 -1.36 0.00 0.00 55.97 55.61 1qkh s LYS 32 Cb -0.14 -2.13 -0.02 0.00 -1.68 0.00 0.00 37.83 33.86 1qkh s LYS 32 CO -0.06 -0.32 0.02 0.99 -0.76 0.00 0.00 175.35 175.22 1qkh s THR 33 N -2.63 0.14 -0.14 2.17 2.01 -0.75 -4.61 115.64 111.82 1qkh s THR 33 Ca 0.59 -1.14 0.20 0.00 0.31 0.00 0.00 61.69 61.66 1qkh s THR 33 Cb -0.10 -0.72 0.41 0.00 0.01 0.00 0.00 72.50 72.10 1qkh s THR 33 CO 0.32 -0.63 1.17 0.79 -0.69 0.00 0.00 174.62 175.59 1qkh n TRP 34 N 1.04 0.26 0.00 4.92 8.01 -1.26 -3.81 117.44 126.60 1qkh n TRP 34 Ca -0.20 -1.27 0.00 0.00 -1.31 0.00 0.00 57.50 54.71 1qkh n TRP 34 Cb 0.57 0.09 0.00 0.00 -2.01 0.00 0.00 31.31 29.96 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 -0.21 0.00 0.08 -0.99 2.88 -1.26 -5.01 113.62 109.11 1qkh n SER 35 Ca -0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1qkh n SER 35 Cb 0.93 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.39 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 0.00 -1.16 -1.46 1.74 -1.25 -4.76 116.66 109.77 1qkh n ARG 36 Ca 0.00 0.00 -0.20 0.00 -0.77 0.00 0.00 57.85 56.88 1qkh n ARG 36 Cb 0.00 0.00 0.17 0.00 -1.02 0.00 0.00 32.46 31.61 1qkh n ARG 36 CO 0.00 0.00 0.00 2.89 -1.52 0.00 0.00 177.63 179.00 1qkh n ARG 37 N -2.96 2.22 -1.55 5.56 1.85 -1.26 -2.14 116.66 118.38 1qkh n ARG 37 Ca 0.00 -3.11 -0.54 0.00 -1.00 0.00 0.00 57.85 53.20 1qkh n ARG 37 Cb 0.00 -2.10 -0.06 0.00 -1.05 0.00 0.00 32.46 29.24 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 -1.11 0.86 -4.37 2.89 7.64 -1.23 -4.11 113.62 114.18 1qkh n SER 38 Ca 0.54 1.14 -0.20 0.00 1.01 0.00 0.00 58.87 61.35 1qkh n SER 38 Cb 1.41 -1.08 -0.10 0.00 -1.01 0.00 0.00 64.21 63.43 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 0.16 1.92 0.81 0.44 2.01 -0.66 -4.60 115.64 115.73 1qkh s THR 39 Ca 0.85 -2.20 -0.12 0.00 0.31 0.00 0.00 61.69 60.53 1qkh s THR 39 Cb -1.06 -2.06 0.08 0.00 0.01 0.00 0.00 72.50 69.46 1qkh s THR 39 CO 0.52 -0.50 1.17 -0.63 -0.69 0.00 0.00 174.62 174.49 1qkh s ILE 40 N -2.69 2.14 0.29 1.82 1.09 -1.26 -4.00 121.20 118.60 1qkh s ILE 40 Ca 0.23 0.04 0.05 0.00 -1.10 0.00 0.00 60.65 59.87 1qkh s ILE 40 Cb -0.03 -3.02 -0.03 0.00 -1.06 0.00 0.00 42.46 38.32 1qkh s ILE 40 CO 0.09 -0.06 0.24 0.68 -0.10 0.00 0.00 174.94 175.79 1qkh s VAL 41 N -3.53 0.00 0.38 2.92 -7.23 -1.26 -4.44 120.40 107.24 1qkh s VAL 41 Ca 0.62 -1.99 0.13 0.00 -1.81 0.00 0.00 61.98 58.93 1qkh s VAL 41 Cb -0.11 -2.50 0.11 0.00 0.56 0.00 0.00 36.38 34.43 1qkh s VAL 41 CO 0.50 0.00 1.85 1.55 -0.31 0.00 0.00 175.10 178.69 1qkh h PRO 42 N 2.28 0.00 0.00 4.82 0.13 -1.99 -2.18 132.00 135.07 1qkh h PRO 42 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 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 0.41 0.34 0.00 0.39 -0.23 0.00 0.00 178.00 178.91 1qkh n GLU 43 N -4.11 0.36 -0.25 0.86 -0.58 -1.26 -2.79 120.64 112.87 1qkh n GLU 43 Ca -0.02 0.08 0.11 0.00 -0.42 0.00 0.00 57.16 56.91 1qkh n GLU 43 Cb 0.38 -1.50 0.27 0.00 -0.57 0.00 0.00 31.44 30.02 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 2.48 0.00 3.49 2.81 -0.82 -4.54 117.12 119.36 1qkh n MET 44 Ca 0.10 -2.26 0.00 0.00 -1.81 0.00 0.00 57.70 53.73 1qkh n MET 44 Cb 0.11 -1.51 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 0.28 1.51 0.00 0.00 175.97 177.76 1qkh n VAL 45 N 1.40 0.21 -2.52 2.03 0.31 -1.12 -2.04 118.33 116.60 1qkh n VAL 45 Ca 0.21 0.06 -0.01 0.00 -0.01 0.00 0.00 64.34 64.58 1qkh n VAL 45 Cb 0.57 -1.06 0.04 0.00 -0.91 0.00 0.00 33.84 32.48 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 -1.00 1.38 3.02 2.92 0.00 -0.92 -4.05 105.19 106.54 1qkh n GLY 46 Ca 0.00 -0.53 -0.11 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 -0.99 0.06 -1.01 1.61 4.02 -0.86 -4.52 115.29 113.60 1qkh s HIS 47 Ca 0.17 -0.12 -0.11 0.00 1.02 0.00 0.00 55.06 56.03 1qkh s HIS 47 Cb 0.30 -0.06 0.25 0.00 -1.02 0.00 0.00 32.58 32.05 1qkh s HIS 47 CO -0.08 -0.17 0.99 0.99 1.02 0.00 0.00 174.74 177.49 1qkh s THR 48 N -0.89 5.83 -0.24 1.30 2.01 -0.87 -1.32 115.64 121.47 1qkh s THR 48 Ca -0.10 -3.04 -0.23 0.00 0.31 0.00 0.00 61.69 58.63 1qkh s THR 48 Cb -0.06 -4.56 -0.01 0.00 0.01 0.00 0.00 72.50 67.88 1qkh s THR 48 CO 0.00 -1.14 0.74 -0.63 -0.69 0.00 0.00 174.62 172.90 1qkh s ILE 49 N -0.65 4.91 -1.24 1.82 1.01 -0.94 -2.29 121.20 123.82 1qkh s ILE 49 Ca 0.26 1.38 -0.20 0.00 0.00 0.00 0.00 60.65 62.10 1qkh s ILE 49 Cb -0.10 -4.04 -0.00 0.00 0.01 0.00 0.00 42.46 38.33 1qkh s ILE 49 CO -0.08 -0.01 1.86 0.00 0.00 0.00 0.00 174.94 176.70 1qkh n ALA 50 N 5.75 3.06 -1.73 9.38 0.00 0.11 -1.33 120.51 135.75 1qkh n ALA 50 Ca 0.03 -3.52 -0.42 0.00 0.00 0.00 0.00 53.44 49.53 1qkh n ALA 50 Cb 0.48 -3.56 -0.03 0.00 0.00 0.00 0.00 19.45 16.35 1qkh n ALA 50 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1qkh n VAL 51 N 6.79 0.22 -2.48 0.00 0.24 -0.66 -1.81 118.33 120.63 1qkh n VAL 51 Ca 0.48 -0.06 -0.42 0.00 -2.04 0.00 0.00 64.34 62.30 1qkh n VAL 51 Cb 0.45 -1.99 -0.03 0.00 -1.47 0.00 0.00 33.84 30.81 1qkh n VAL 51 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 1qkh s TYR 52 N 0.92 2.41 -2.00 6.34 5.04 -1.25 -1.24 117.35 127.57 1qkh s TYR 52 Ca 0.73 0.40 0.05 0.00 -2.44 0.00 0.00 57.07 55.81 1qkh s TYR 52 Cb -0.50 -4.46 0.30 0.00 0.35 0.00 0.00 41.96 37.65 1qkh s TYR 52 CO 0.36 -1.84 0.97 0.27 -1.34 0.00 0.00 175.55 173.97 1qkh n ASN 53 N 9.13 0.00 0.00 4.32 6.94 -0.11 -3.56 115.26 131.98 1qkh n ASN 53 Ca 0.10 -1.35 0.00 0.00 -0.02 0.00 0.00 54.58 53.31 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 0.31 0.94 0.00 4.83 0.00 -0.91 -4.78 105.19 105.58 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 2.96 -4.18 1.61 2.85 -1.26 -4.94 118.16 115.21 1qkh n LYS 55 Ca 0.00 0.00 -0.15 0.00 -1.05 0.00 0.00 58.31 57.11 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 -0.49 0.84 -0.52 -1.58 1.03 -1.26 -5.11 119.66 112.57 1qkh s GLN 56 Ca 0.00 -1.12 -0.16 0.00 0.04 0.00 0.00 55.36 54.11 1qkh s GLN 56 Cb 0.00 -0.58 0.11 0.00 0.03 0.00 0.00 33.01 32.57 1qkh s GLN 56 CO 0.00 0.10 0.49 -1.01 -2.54 0.00 0.00 175.29 172.32 1qkh s HIS 57 N -2.25 3.23 -0.56 9.60 3.76 -1.26 -0.93 115.29 126.88 1qkh s HIS 57 Ca 0.04 -1.16 -0.21 0.00 -0.15 0.00 0.00 55.06 53.58 1qkh s HIS 57 Cb -0.04 -3.64 0.06 0.00 1.11 0.00 0.00 32.58 30.07 1qkh s HIS 57 CO 0.01 -0.98 0.79 0.08 -0.85 0.00 0.00 174.74 173.79 1qkh s VAL 58 N 1.69 4.62 -0.94 -0.90 1.01 -0.37 -4.66 120.40 120.86 1qkh s VAL 58 Ca 0.04 -0.28 -0.25 0.00 0.00 0.00 0.00 61.98 61.49 1qkh s VAL 58 Cb -0.28 -4.46 -0.10 0.00 0.00 0.00 0.00 36.38 31.54 1qkh s VAL 58 CO 0.04 -1.05 2.09 -2.16 0.00 0.00 0.00 175.10 174.03 1qkh s PRO 59 N 3.29 2.12 -0.39 2.72 0.04 -1.25 -1.66 135.00 139.88 1qkh s PRO 59 Ca 0.21 -0.23 -0.19 0.00 0.04 0.00 0.00 61.00 60.82 1qkh s PRO 59 Cb -0.17 -5.01 0.01 0.00 0.04 0.00 0.00 34.50 29.37 1qkh s PRO 59 CO 0.13 -4.02 0.58 0.14 0.04 0.00 0.00 177.00 173.87 1qkh s VAL 60 N 12.34 4.93 -0.67 -0.36 -7.23 -0.44 -4.65 120.40 124.31 1qkh s VAL 60 Ca 0.77 0.24 -0.27 0.00 -1.81 0.00 0.00 61.98 60.91 1qkh s VAL 60 Cb -0.07 -4.08 0.01 0.00 0.56 0.00 0.00 36.38 32.79 1qkh s VAL 60 CO 0.06 -0.40 1.55 -0.47 -0.31 0.00 0.00 175.10 175.54 1qkh s TYR 61 N 2.59 2.00 0.10 2.82 6.14 -1.25 -2.22 117.35 127.53 1qkh s TYR 61 Ca 0.21 0.36 -0.28 0.00 0.64 0.00 0.00 57.07 57.99 1qkh s TYR 61 Cb -0.15 -4.37 -0.06 0.00 0.42 0.00 0.00 41.96 37.80 1qkh s TYR 61 CO 0.16 -2.18 0.89 0.42 0.64 0.00 0.00 175.55 175.48 1qkh s ILE 62 N 7.27 4.53 0.00 3.14 1.09 -0.44 -4.90 121.20 131.89 1qkh s ILE 62 Ca 0.51 1.93 0.00 0.00 -1.10 0.00 0.00 60.65 61.99 1qkh s ILE 62 Cb -0.10 -4.26 0.00 0.00 -1.06 0.00 0.00 42.46 37.04 1qkh s ILE 62 CO 0.18 0.36 0.00 0.35 -0.10 0.00 0.00 174.94 175.73 1qkh n THR 63 N 2.63 0.00 0.81 2.92 -2.24 -1.26 -2.16 114.28 114.99 1qkh n THR 63 Ca 0.00 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 61.84 1qkh n THR 63 Cb 0.49 -0.52 0.16 0.00 -2.10 0.00 0.00 70.33 68.36 1qkh n THR 63 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1qkh n GLU 64 N 0.00 1.91 -0.84 -0.78 4.07 -1.26 -4.04 120.64 119.69 1qkh n GLU 64 Ca 0.00 -1.29 0.00 0.00 -0.06 0.00 0.00 57.16 55.81 1qkh n GLU 64 Cb 0.00 -1.33 -0.00 0.00 -0.06 0.00 0.00 31.44 30.05 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 0.51 0.13 -0.02 4.31 4.05 -1.26 -4.89 115.26 118.09 1qkh n ASN 65 Ca 0.12 -1.80 -0.02 0.00 0.45 0.00 0.00 54.58 53.33 1qkh n ASN 65 Cb 0.33 -0.11 -0.05 0.00 1.23 0.00 0.00 39.78 41.18 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 0.14 2.44 -0.76 1.20 2.81 -1.26 -5.04 117.12 116.65 1qkh n MET 66 Ca -0.02 -0.01 -0.30 0.00 -1.81 0.00 0.00 57.70 55.56 1qkh n MET 66 Cb 0.78 -1.15 0.19 0.00 -0.71 0.00 0.00 33.22 32.33 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 -2.21 2.21 0.00 2.03 0.11 -1.26 -4.51 120.40 116.77 1qkh s VAL 67 Ca -0.03 0.07 0.00 0.00 -2.93 0.00 0.00 61.98 59.09 1qkh s VAL 67 Cb 0.02 -2.22 0.00 0.00 -1.53 0.00 0.00 36.38 32.65 1qkh s VAL 67 CO 0.25 -0.09 0.00 0.61 -3.33 0.00 0.00 175.10 172.54 1qkh n GLY 68 N 0.11 1.64 0.00 6.54 0.00 -1.26 -5.02 105.19 107.20 1qkh n GLY 68 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.50 0.00 0.00 -0.41 -0.00 -1.26 -4.38 118.16 111.61 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 0.17 -5.58 -0.00 -1.26 -4.50 117.00 105.83 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 0.52 0.00 -0.00 0.00 0.00 43.42 43.94 1qkh n LEU 71 CO 0.00 0.00 0.90 1.23 -0.00 0.00 0.00 177.39 179.52 1qkh h GLY 72 N 0.00 0.00 1.40 1.47 0.00 -1.93 0.15 103.07 104.16 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 -0.50 0.83 0.00 0.00 0.00 176.54 176.87 1qkh h GLU 73 N 0.00 0.00 0.00 4.80 4.39 -1.94 -2.91 114.58 118.92 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 -1.22 1.19 -1.16 0.00 0.00 179.01 177.82 1qkh n PHE 74 N -2.41 0.00 -2.91 4.33 3.01 -0.93 -4.68 117.46 113.87 1qkh n PHE 74 Ca 0.03 0.00 -0.15 0.00 1.01 0.00 0.00 57.45 58.34 1qkh n PHE 74 Cb 0.47 -0.18 -0.00 0.00 -0.01 0.00 0.00 39.48 39.76 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 -1.70 2.95 -1.25 4.37 0.00 0.49 -4.95 120.51 120.41 1qkh n ALA 75 Ca -0.01 -3.43 -0.20 0.00 0.00 0.00 0.00 53.44 49.81 1qkh n ALA 75 Cb 0.26 -0.90 -0.11 0.00 0.00 0.00 0.00 19.45 18.70 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 0.06 2.21 -4.31 0.00 -0.04 -1.10 -4.73 135.00 127.09 1qkh n PRO 76 Ca 0.20 -1.68 -0.20 0.00 -0.04 0.00 0.00 63.50 61.78 1qkh n PRO 76 Cb 0.71 -2.07 -0.13 0.00 -0.04 0.00 0.00 33.50 31.97 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 -0.62 1.18 0.42 0.52 2.01 -1.26 -5.11 115.64 112.77 1qkh s THR 77 Ca 0.63 -1.14 0.01 0.00 0.31 0.00 0.00 61.69 61.50 1qkh s THR 77 Cb 0.35 -1.09 0.08 0.00 0.01 0.00 0.00 72.50 71.86 1qkh s THR 77 CO -0.11 -0.06 0.57 0.54 -0.69 0.00 0.00 174.62 174.87 1qkh n ARG 78 N 1.66 0.26 0.24 4.92 3.00 -1.26 -4.98 116.66 120.50 1qkh n ARG 78 Ca -0.19 -1.62 0.09 0.00 -0.01 0.00 0.00 57.85 56.12 1qkh n ARG 78 Cb 0.54 -0.36 0.59 0.00 0.00 0.00 0.00 32.46 33.24 1qkh n ARG 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1qkh h THR 79 N -0.44 0.76 -0.02 0.55 1.03 -2.02 -3.55 112.91 109.21 1qkh h THR 79 Ca -0.19 -0.78 0.00 0.00 -0.01 0.00 0.00 66.41 65.43 1qkh h THR 79 Cb 0.72 1.47 0.00 0.00 -1.07 0.00 0.00 68.15 69.27 1qkh h THR 79 CO 0.21 0.19 0.00 0.00 -0.01 0.00 0.00 175.52 175.91