#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 2.53 -0.06 1.61 1.01 -1.26 -4.83 120.40 119.39 1qkh s VAL 9 Ca 0.00 -3.18 0.02 0.00 0.00 0.00 0.00 61.98 58.81 1qkh s VAL 9 Cb 0.00 -2.77 -0.03 0.00 0.00 0.00 0.00 36.38 33.58 1qkh s VAL 9 CO 0.00 -0.78 -0.09 0.72 0.00 0.00 0.00 175.10 174.95 1qkh s PHE 10 N -0.13 2.86 -0.47 5.22 -0.71 -1.24 -5.01 117.98 118.50 1qkh s PHE 10 Ca 0.16 -0.04 -0.20 0.00 -1.04 0.00 0.00 56.93 55.81 1qkh s PHE 10 Cb -0.25 -1.68 0.03 0.00 -1.21 0.00 0.00 43.02 39.92 1qkh s PHE 10 CO -0.01 0.29 0.66 0.54 -1.34 0.00 0.00 175.22 175.35 1qkh s VAL 11 N -0.79 4.81 -0.32 -2.49 0.11 -1.26 -1.35 120.40 119.10 1qkh s VAL 11 Ca 0.12 -0.05 -0.39 0.00 -2.93 0.00 0.00 61.98 58.73 1qkh s VAL 11 Cb -0.11 -4.26 -0.14 0.00 -1.53 0.00 0.00 36.38 30.34 1qkh s VAL 11 CO 0.01 -0.70 1.94 -0.67 -3.33 0.00 0.00 175.10 172.35 1qkh n ASP 12 N 6.33 2.17 0.21 3.54 2.03 -1.25 -4.80 116.55 124.78 1qkh n ASP 12 Ca -0.03 0.82 0.08 0.00 0.52 0.00 0.00 54.79 56.18 1qkh n ASP 12 Cb 0.47 -1.16 0.44 0.00 -0.72 0.00 0.00 41.12 40.16 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 9.14 0.00 0.23 1.67 3.58 -1.95 -2.67 116.42 126.42 1qkh h ASP 13 Ca -0.36 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.05 1qkh h ASP 13 Cb 1.33 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.37 1qkh h ASP 13 CO 0.99 0.27 -0.15 -0.74 -2.88 0.00 0.00 179.24 176.74 1qkh h HIS 14 N 0.00 0.00 0.12 0.28 2.76 -1.96 -1.39 115.15 114.96 1qkh h HIS 14 Ca -0.00 0.00 -0.28 0.00 -2.20 0.00 0.00 60.37 57.89 1qkh h HIS 14 Cb 0.75 0.00 0.01 0.00 1.55 0.00 0.00 27.41 29.72 1qkh h HIS 14 CO 0.00 0.15 -1.22 1.37 -1.30 0.00 0.00 177.93 176.93 1qkh h LEU 15 N 0.00 0.59 -0.52 0.26 8.10 -1.75 -3.27 115.31 118.72 1qkh h LEU 15 Ca -0.00 -0.58 -0.02 0.00 0.11 0.00 0.00 57.88 57.38 1qkh h LEU 15 Cb 0.30 -0.19 -0.02 0.00 -0.44 0.00 0.00 40.66 40.31 1qkh h LEU 15 CO 0.02 1.43 0.24 -0.07 -4.11 0.00 0.00 178.44 175.94 1qkh h LEU 16 N 0.15 0.70 -2.39 0.17 4.07 -1.33 0.20 115.31 116.87 1qkh h LEU 16 Ca -0.15 -0.14 0.01 0.00 0.08 0.00 0.00 57.88 57.68 1qkh h LEU 16 Cb 1.91 -0.18 -0.00 0.00 1.08 0.00 0.00 40.66 43.47 1qkh h LEU 16 CO 0.21 0.64 0.19 1.05 -1.08 0.00 0.00 178.44 179.46 1qkh h GLU 17 N 0.70 0.00 0.00 1.13 4.11 -1.33 -0.13 114.58 119.06 1qkh h GLU 17 Ca 0.18 0.00 -0.10 0.00 0.07 0.00 0.00 59.36 59.51 1qkh h GLU 17 Cb 0.14 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 1qkh h GLU 17 CO -0.02 0.00 -1.79 1.63 0.07 0.00 0.00 179.01 178.90 1qkh n LYS 18 N -3.16 0.94 0.05 1.06 4.76 -0.66 -4.10 118.16 117.05 1qkh n LYS 18 Ca -0.01 -0.09 -0.22 0.00 -2.87 0.00 0.00 58.31 55.11 1qkh n LYS 18 Cb 0.27 -1.36 -0.14 0.00 -1.84 0.00 0.00 35.03 31.96 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 0.91 -0.55 -0.18 3.04 0.17 -2.65 116.25 117.00 1qkh h VAL 19 Ca -0.14 -2.46 -0.08 0.00 -1.01 0.00 0.00 66.70 63.01 1qkh h VAL 19 Cb 1.13 2.71 -0.02 0.00 -2.01 0.00 0.00 31.29 33.10 1qkh h VAL 19 CO 0.01 0.83 0.03 -0.07 -1.01 0.00 0.00 177.57 177.35 1qkh h LEU 20 N -0.00 0.88 -1.39 3.16 3.38 -1.29 -0.02 115.31 120.03 1qkh h LEU 20 Ca -0.35 -0.22 -0.03 0.00 0.09 0.00 0.00 57.88 57.37 1qkh h LEU 20 Cb 2.01 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 42.51 1qkh h LEU 20 CO 0.14 0.93 0.07 -0.08 0.09 0.00 0.00 178.44 179.58 1qkh h GLU 21 N 0.85 0.47 0.00 1.13 4.81 -1.71 -0.80 114.58 119.33 1qkh h GLU 21 Ca 0.16 -0.07 -0.11 0.00 -0.13 0.00 0.00 59.36 59.21 1qkh h GLU 21 Cb 0.47 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.75 1qkh h GLU 21 CO 0.02 0.45 -0.54 -0.07 -0.73 0.00 0.00 179.01 178.14 1qkh h LEU 22 N 0.46 0.00 0.00 1.64 -0.00 -0.84 -2.96 115.31 113.62 1qkh h LEU 22 Ca 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.99 1qkh h LEU 22 Cb 0.20 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.86 1qkh h LEU 22 CO -0.00 0.54 -0.10 0.59 -0.00 0.00 0.00 178.44 179.47 1qkh n ASN 23 N -3.32 0.44 0.10 -0.43 3.02 -0.14 -1.33 115.26 113.60 1qkh n ASN 23 Ca 0.01 0.44 -0.20 0.00 -0.03 0.00 0.00 54.58 54.80 1qkh n ASN 23 Cb 0.71 -0.50 -0.15 0.00 -0.61 0.00 0.00 39.78 39.23 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 0.08 0.00 5.41 0.00 -1.01 -3.30 119.26 123.20 1qkh h ALA 24 Ca 0.00 -0.98 -0.07 0.00 0.00 0.00 0.00 54.91 53.87 1qkh h ALA 24 Cb 0.62 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1qkh h ALA 24 CO 0.00 0.95 -0.81 0.87 0.00 0.00 0.00 179.25 180.26 1qkh h LYS 25 N 0.10 0.00 0.00 0.00 1.57 -1.58 -3.47 116.57 113.19 1qkh h LYS 25 Ca -0.23 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.55 1qkh h LYS 25 Cb 2.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.37 1qkh h LYS 25 CO 0.21 0.18 0.00 0.41 -0.57 0.00 0.00 179.45 179.68 1qkh n GLY 26 N 1.23 0.79 3.88 3.86 0.00 -0.83 -5.07 105.19 109.05 1qkh n GLY 26 Ca -0.01 -0.23 -0.35 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 -0.69 3.68 -0.69 1.61 2.02 -0.44 -5.00 118.70 119.19 1qkh s GLU 27 Ca 0.00 0.06 -0.05 0.00 0.02 0.00 0.00 54.97 55.00 1qkh s GLU 27 Cb 0.00 -3.03 0.18 0.00 0.10 0.00 0.00 34.13 31.38 1qkh s GLU 27 CO 0.00 0.60 0.53 0.15 0.02 0.00 0.00 175.26 176.56 1qkh s LYS 28 N -1.86 2.82 0.00 1.61 1.02 -1.26 -4.38 119.74 117.68 1qkh s LYS 28 Ca 0.31 -2.60 0.00 0.00 0.02 0.00 0.00 55.97 53.70 1qkh s LYS 28 Cb -0.14 -3.87 0.00 0.00 -0.52 0.00 0.00 37.83 33.30 1qkh s LYS 28 CO 0.17 -1.20 0.00 -2.13 -0.92 0.00 0.00 175.35 171.27 1qkh n ARG 29 N 3.45 3.77 -4.40 1.68 0.63 -1.26 -4.91 116.66 115.62 1qkh n ARG 29 Ca 0.10 0.00 -0.27 0.00 -0.92 0.00 0.00 57.85 56.76 1qkh n ARG 29 Cb 0.39 0.00 -0.11 0.00 0.45 0.00 0.00 32.46 33.19 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 2.51 -0.10 6.15 0.05 -1.26 -1.82 118.68 124.20 1qkh s LEU 30 Ca 0.00 -0.82 -0.00 0.00 0.05 0.00 0.00 54.13 53.36 1qkh s LEU 30 Cb 0.00 -1.24 0.02 0.00 -2.05 0.00 0.00 46.19 42.92 1qkh s LEU 30 CO 0.00 0.12 -0.08 -0.63 -0.55 0.00 0.00 176.35 175.21 1qkh s ILE 31 N -1.65 1.02 0.12 1.48 1.09 -0.99 -4.89 121.20 117.38 1qkh s ILE 31 Ca 0.21 -0.30 0.02 0.00 -1.10 0.00 0.00 60.65 59.48 1qkh s ILE 31 Cb -0.08 -1.02 -0.04 0.00 -1.06 0.00 0.00 42.46 40.26 1qkh s ILE 31 CO 0.10 0.36 0.27 -0.54 -0.10 0.00 0.00 174.94 175.03 1qkh s LYS 32 N 1.56 3.44 0.16 2.79 3.01 -1.26 0.97 119.74 130.41 1qkh s LYS 32 Ca 0.02 -0.54 -0.02 0.00 -1.01 0.00 0.00 55.97 54.42 1qkh s LYS 32 Cb -0.13 -2.98 -0.04 0.00 -1.01 0.00 0.00 37.83 33.67 1qkh s LYS 32 CO -0.06 0.54 0.11 -0.08 0.51 0.00 0.00 175.35 176.37 1qkh s THR 33 N -1.68 0.07 -0.30 2.17 -1.32 -1.00 -4.67 115.64 108.91 1qkh s THR 33 Ca 0.35 -1.88 0.19 0.00 -1.21 0.00 0.00 61.69 59.14 1qkh s THR 33 Cb -0.12 -2.16 0.47 0.00 -1.51 0.00 0.00 72.50 69.19 1qkh s THR 33 CO 0.28 -0.31 1.16 0.79 -2.21 0.00 0.00 174.62 174.34 1qkh n TRP 34 N -0.16 0.39 0.00 9.09 8.01 -1.26 -4.06 117.44 129.45 1qkh n TRP 34 Ca -0.03 -2.21 0.00 0.00 -1.31 0.00 0.00 57.50 53.95 1qkh n TRP 34 Cb 0.64 0.18 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 0.43 -1.01 0.00 0.00 177.69 177.11 1qkh n SER 35 N -0.63 0.00 0.00 -0.99 7.64 -1.26 -5.06 113.62 113.31 1qkh n SER 35 Ca 0.03 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.91 1qkh n SER 35 Cb 0.82 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.02 1qkh n SER 35 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 1qkh n ARG 36 N -0.67 0.00 -1.30 1.43 0.63 -1.26 -4.84 116.66 110.64 1qkh n ARG 36 Ca 0.00 0.00 -0.29 0.00 -0.92 0.00 0.00 57.85 56.64 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 -2.45 2.54 -1.43 -0.14 1.74 -1.26 -2.94 116.66 112.72 1qkh n ARG 37 Ca 0.00 -3.24 -0.60 0.00 -0.77 0.00 0.00 57.85 53.24 1qkh n ARG 37 Cb 0.00 -2.22 -0.10 0.00 -1.02 0.00 0.00 32.46 29.11 1qkh n ARG 37 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1qkh n SER 38 N -1.00 1.19 -4.79 0.55 7.64 -1.23 -3.64 113.62 112.34 1qkh n SER 38 Ca 0.59 0.80 -0.23 0.00 1.01 0.00 0.00 58.87 61.04 1qkh n SER 38 Cb 1.05 -0.96 -0.05 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 5.26 4.27 0.78 0.44 2.01 -0.46 -4.66 115.64 123.29 1qkh s THR 39 Ca 1.13 -1.46 -0.11 0.00 0.31 0.00 0.00 61.69 61.56 1qkh s THR 39 Cb -1.38 -3.29 0.06 0.00 0.01 0.00 0.00 72.50 67.91 1qkh s THR 39 CO 0.67 -0.32 1.09 -0.63 -0.69 0.00 0.00 174.62 174.74 1qkh s ILE 40 N -2.12 3.22 0.50 1.82 1.09 -1.26 -3.97 121.20 120.49 1qkh s ILE 40 Ca 0.32 0.40 0.01 0.00 -1.10 0.00 0.00 60.65 60.28 1qkh s ILE 40 Cb -0.08 -3.12 -0.01 0.00 -1.06 0.00 0.00 42.46 38.20 1qkh s ILE 40 CO 0.24 -0.52 0.02 0.68 -0.10 0.00 0.00 174.94 175.26 1qkh s VAL 41 N -3.11 1.00 0.25 2.92 -7.23 -1.26 -4.53 120.40 108.43 1qkh s VAL 41 Ca 0.60 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.83 1qkh s VAL 41 Cb -0.15 -2.12 -0.03 0.00 0.56 0.00 0.00 36.38 34.65 1qkh s VAL 41 CO 0.55 0.00 1.59 1.55 -0.31 0.00 0.00 175.10 178.47 1qkh h PRO 42 N 1.38 0.22 -0.55 4.82 0.13 -2.01 -2.88 132.00 133.11 1qkh h PRO 42 Ca -0.42 -0.14 0.00 0.00 -0.87 0.00 0.00 66.00 64.56 1qkh h PRO 42 Cb 1.31 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.46 1qkh h PRO 42 CO 0.71 0.73 0.00 0.39 -0.23 0.00 0.00 178.00 179.60 1qkh n GLU 43 N -3.90 1.58 0.11 0.86 -0.58 -1.26 -3.85 120.64 113.60 1qkh n GLU 43 Ca -0.02 -0.59 0.13 0.00 -0.42 0.00 0.00 57.16 56.26 1qkh n GLU 43 Cb 0.59 -1.40 0.29 0.00 -0.57 0.00 0.00 31.44 30.35 1qkh n GLU 43 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1qkh h MET 44 N 0.83 0.00 0.00 3.49 -0.00 -1.89 -3.38 114.93 113.99 1qkh h MET 44 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 1qkh h MET 44 Cb 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.11 1qkh h MET 44 CO 0.05 0.00 0.00 1.55 -0.00 0.00 0.00 176.91 178.51 1qkh n VAL 45 N -2.34 0.00 -2.22 -0.10 3.14 -1.25 -2.22 118.33 113.34 1qkh n VAL 45 Ca 0.04 0.00 -0.02 0.00 -2.96 0.00 0.00 64.34 61.41 1qkh n VAL 45 Cb 0.45 -0.67 -0.02 0.00 -1.06 0.00 0.00 33.84 32.54 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 -0.63 0.74 3.17 7.55 0.00 -1.26 -3.49 105.19 111.28 1qkh n GLY 46 Ca 0.00 -0.38 -0.10 0.00 0.00 0.00 0.00 46.02 45.55 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 0.13 -1.13 1.61 4.02 -0.94 -4.22 115.29 114.77 1qkh s HIS 47 Ca 0.15 -0.45 -0.09 0.00 1.02 0.00 0.00 55.06 55.70 1qkh s HIS 47 Cb 0.17 -0.08 0.27 0.00 -1.02 0.00 0.00 32.58 31.93 1qkh s HIS 47 CO -0.08 -0.45 1.19 2.41 1.02 0.00 0.00 174.74 178.84 1qkh n THR 48 N 0.45 4.63 -2.55 1.30 -1.04 -0.76 -1.78 114.28 114.54 1qkh n THR 48 Ca -0.17 -5.38 -0.43 0.00 -2.04 0.00 0.00 64.05 56.02 1qkh n THR 48 Cb 0.60 -2.52 -0.02 0.00 -1.82 0.00 0.00 70.33 66.56 1qkh n THR 48 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1qkh s ILE 49 N -1.20 4.39 -1.13 12.58 1.01 -0.79 -2.35 121.20 133.70 1qkh s ILE 49 Ca 0.32 1.61 -0.21 0.00 0.00 0.00 0.00 60.65 62.37 1qkh s ILE 49 Cb -0.08 -4.28 0.06 0.00 0.01 0.00 0.00 42.46 38.17 1qkh s ILE 49 CO -0.05 -0.41 1.57 0.00 0.00 0.00 0.00 174.94 176.05 1qkh s ALA 50 N 3.80 2.94 0.12 9.38 0.00 0.27 -2.04 121.76 136.24 1qkh s ALA 50 Ca 0.50 -2.52 -0.31 0.00 0.00 0.00 0.00 51.96 49.63 1qkh s ALA 50 Cb -0.15 -4.58 -0.09 0.00 0.00 0.00 0.00 23.12 18.31 1qkh s ALA 50 CO 0.17 -3.51 1.50 0.14 0.00 0.00 0.00 175.76 174.05 1qkh s VAL 51 N 4.76 3.04 -0.55 0.00 -7.23 -0.97 -2.37 120.40 117.09 1qkh s VAL 51 Ca 0.50 0.70 -0.28 0.00 -1.81 0.00 0.00 61.98 61.08 1qkh s VAL 51 Cb 0.02 -3.45 0.02 0.00 0.56 0.00 0.00 36.38 33.52 1qkh s VAL 51 CO -0.03 0.04 1.38 -0.47 -0.31 0.00 0.00 175.10 175.72 1qkh s TYR 52 N 1.47 2.35 -1.92 2.82 5.04 -1.25 -1.79 117.35 124.06 1qkh s TYR 52 Ca 0.68 0.49 0.16 0.00 -2.44 0.00 0.00 57.07 55.96 1qkh s TYR 52 Cb -0.39 -4.40 0.95 0.00 0.35 0.00 0.00 41.96 38.47 1qkh s TYR 52 CO 0.31 -1.91 1.40 -1.71 -1.34 0.00 0.00 175.55 172.29 1qkh n ASN 53 N 9.33 0.00 0.00 4.32 5.15 -0.03 -3.48 115.26 130.55 1qkh n ASN 53 Ca 0.12 -0.43 0.00 0.00 -0.60 0.00 0.00 54.58 53.67 1qkh n ASN 53 Cb 0.49 -0.04 0.00 0.00 -0.53 0.00 0.00 39.78 39.70 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 2.20 0.00 8.20 0.00 -1.15 -4.82 105.19 109.65 1qkh n GLY 54 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 -0.01 0.79 -4.14 1.61 2.85 -1.26 -4.97 118.16 113.03 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 -0.87 0.75 -0.38 -1.58 1.03 -1.26 -5.12 119.66 112.23 1qkh s GLN 56 Ca 0.00 -1.10 -0.13 0.00 0.04 0.00 0.00 55.36 54.17 1qkh s GLN 56 Cb 0.00 -0.37 0.01 0.00 0.03 0.00 0.00 33.01 32.69 1qkh s GLN 56 CO 0.00 0.04 0.25 -1.01 -2.54 0.00 0.00 175.29 172.04 1qkh s HIS 57 N -2.49 3.23 -0.70 9.60 3.76 -1.26 -0.86 115.29 126.58 1qkh s HIS 57 Ca 0.03 -0.64 -0.16 0.00 -0.15 0.00 0.00 55.06 54.14 1qkh s HIS 57 Cb -0.02 -2.51 0.17 0.00 1.11 0.00 0.00 32.58 31.32 1qkh s HIS 57 CO -0.01 -0.56 0.69 0.08 -0.85 0.00 0.00 174.74 174.08 1qkh s VAL 58 N 1.64 5.31 -0.76 -0.90 1.01 -0.74 -4.74 120.40 121.23 1qkh s VAL 58 Ca 0.04 -1.87 -0.26 0.00 0.00 0.00 0.00 61.98 59.90 1qkh s VAL 58 Cb -0.19 -4.45 -0.04 0.00 0.00 0.00 0.00 36.38 31.71 1qkh s VAL 58 CO 0.09 -1.02 1.93 -2.16 0.00 0.00 0.00 175.10 173.94 1qkh s PRO 59 N 1.17 2.56 -0.16 2.72 0.04 -1.25 -2.28 135.00 137.80 1qkh s PRO 59 Ca 0.13 0.18 -0.02 0.00 0.04 0.00 0.00 61.00 61.33 1qkh s PRO 59 Cb -0.19 -4.73 -0.02 0.00 0.04 0.00 0.00 34.50 29.60 1qkh s PRO 59 CO -0.03 -3.10 -0.08 0.08 0.04 0.00 0.00 177.00 173.91 1qkh s VAL 60 N 9.76 3.40 -0.58 -0.36 1.01 -0.86 -4.71 120.40 128.06 1qkh s VAL 60 Ca 0.70 -0.52 -0.27 0.00 0.00 0.00 0.00 61.98 61.88 1qkh s VAL 60 Cb -0.10 -2.48 -0.01 0.00 0.00 0.00 0.00 36.38 33.80 1qkh s VAL 60 CO 0.10 0.49 1.69 -0.47 0.00 0.00 0.00 175.10 176.91 1qkh s TYR 61 N 0.59 1.89 0.01 5.22 6.14 -1.25 -1.89 117.35 128.06 1qkh s TYR 61 Ca -0.05 0.60 -0.26 0.00 0.64 0.00 0.00 57.07 58.00 1qkh s TYR 61 Cb -0.15 -4.22 -0.14 0.00 0.42 0.00 0.00 41.96 37.86 1qkh s TYR 61 CO 0.03 -2.28 1.12 0.82 0.64 0.00 0.00 175.55 175.87 1qkh h ILE 62 N 6.67 0.00 -1.41 3.14 5.03 -1.45 -3.48 117.51 126.00 1qkh h ILE 62 Ca -0.27 -0.26 0.16 0.00 -0.12 0.00 0.00 64.86 64.36 1qkh h ILE 62 Cb 1.13 0.00 -0.06 0.00 -3.03 0.00 0.00 36.82 34.87 1qkh h ILE 62 CO 1.19 0.00 -0.35 0.41 -0.68 0.00 0.00 178.15 178.72 1qkh n THR 63 N -5.27 0.00 -1.49 -0.27 -1.04 -1.16 -3.54 114.28 101.51 1qkh n THR 63 Ca -0.12 0.16 -0.40 0.00 -2.04 0.00 0.00 64.05 61.65 1qkh n THR 63 Cb 0.37 -0.37 -0.02 0.00 -1.82 0.00 0.00 70.33 68.50 1qkh n THR 63 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 1qkh n GLU 64 N -3.08 2.86 0.00 -2.82 0.00 -1.26 -3.57 120.64 112.78 1qkh n GLU 64 Ca -0.01 -2.33 0.00 0.00 0.00 0.00 0.00 57.16 54.81 1qkh n GLU 64 Cb 0.28 -3.07 0.00 0.00 0.00 0.00 0.00 31.44 28.66 1qkh n GLU 64 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 1qkh n ASN 65 N 5.51 0.00 -0.66 4.31 5.15 -1.26 -4.98 115.26 123.32 1qkh n ASN 65 Ca 0.58 0.00 0.06 0.00 -0.60 0.00 0.00 54.58 54.62 1qkh n ASN 65 Cb 0.33 0.00 0.15 0.00 -0.53 0.00 0.00 39.78 39.74 1qkh n ASN 65 CO 0.00 0.00 0.00 0.23 1.40 0.00 0.00 177.26 178.89 1qkh n MET 66 N -0.11 2.67 -2.57 1.20 2.81 -1.23 -5.01 117.12 114.88 1qkh n MET 66 Ca 0.00 -2.01 -0.24 0.00 -1.81 0.00 0.00 57.70 53.64 1qkh n MET 66 Cb 0.00 -1.28 0.03 0.00 -0.71 0.00 0.00 33.22 31.26 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 -1.00 3.34 0.00 2.03 0.11 -1.26 -4.50 120.40 119.12 1qkh s VAL 67 Ca 0.24 -0.30 0.00 0.00 -2.93 0.00 0.00 61.98 58.99 1qkh s VAL 67 Cb 0.13 -3.30 0.00 0.00 -1.53 0.00 0.00 36.38 31.67 1qkh s VAL 67 CO 0.17 -0.27 0.00 0.61 -3.33 0.00 0.00 175.10 172.28 1qkh n GLY 68 N -2.46 1.45 0.00 6.54 0.00 -1.26 -4.97 105.19 104.49 1qkh n GLY 68 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.48 0.00 0.00 1.61 8.25 -1.26 -4.95 115.22 117.39 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 0.00 0.00 0.00 -0.41 -0.00 -1.26 -4.19 118.16 112.30 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 -4.44 117.00 105.86 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 0.46 0.00 -0.00 0.00 0.00 43.42 43.88 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 2.00 1.47 0.00 -1.93 -1.09 103.07 103.52 1qkh h GLY 72 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 1qkh h GLY 72 CO 0.00 0.00 -0.14 0.83 0.00 0.00 0.00 176.54 177.23 1qkh h GLU 73 N 0.00 0.00 0.00 4.80 4.39 -1.93 -2.14 114.58 119.70 1qkh h GLU 73 Ca 0.00 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.63 1qkh h GLU 73 Cb 0.57 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.21 1qkh h GLU 73 CO 0.00 0.14 -2.04 1.19 -1.16 0.00 0.00 179.01 177.14 1qkh n PHE 74 N -3.14 0.04 -3.03 4.33 3.01 -0.99 -4.58 117.46 113.10 1qkh n PHE 74 Ca 0.03 0.01 -0.20 0.00 1.01 0.00 0.00 57.45 58.31 1qkh n PHE 74 Cb 0.58 -0.61 -0.02 0.00 -0.01 0.00 0.00 39.48 39.42 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 -2.35 3.01 -0.87 4.37 0.00 -0.45 -4.92 120.51 119.30 1qkh n ALA 75 Ca -0.09 -3.75 -0.15 0.00 0.00 0.00 0.00 53.44 49.45 1qkh n ALA 75 Cb 0.68 -0.86 0.03 0.00 0.00 0.00 0.00 19.45 19.30 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 0.07 1.73 -1.79 0.00 -0.04 -0.81 -3.88 135.00 130.27 1qkh n PRO 76 Ca 0.25 -1.40 -0.01 0.00 -0.04 0.00 0.00 63.50 62.31 1qkh n PRO 76 Cb 0.61 -1.56 0.02 0.00 -0.04 0.00 0.00 33.50 32.53 1qkh n PRO 76 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 1qkh n THR 77 N 0.52 0.00 0.15 0.52 5.66 -1.26 -5.05 114.28 114.82 1qkh n THR 77 Ca 0.27 -0.22 0.00 0.00 -3.05 0.00 0.00 64.05 61.05 1qkh n THR 77 Cb 0.57 0.58 0.00 0.00 -1.55 0.00 0.00 70.33 69.93 1qkh n THR 77 CO 0.00 0.00 0.00 -1.14 -3.05 0.00 0.00 175.07 170.88 1qkh n ARG 78 N -0.29 0.00 -4.61 1.09 0.63 -1.25 -5.12 116.66 107.11 1qkh n ARG 78 Ca -0.05 0.00 -0.26 0.00 -0.92 0.00 0.00 57.85 56.62 1qkh n ARG 78 Cb 0.57 0.00 -0.14 0.00 0.45 0.00 0.00 32.46 33.34 1qkh n ARG 78 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 1qkh s THR 79 N -2.00 1.77 -2.48 5.15 2.01 -1.26 -5.22 115.64 113.60 1qkh s THR 79 Ca 0.00 -1.30 0.28 0.00 0.31 0.00 0.00 61.69 60.98 1qkh s THR 79 Cb 0.00 -1.54 0.56 0.00 0.01 0.00 0.00 72.50 71.53 1qkh s THR 79 CO 0.00 0.18 1.77 0.00 -0.69 0.00 0.00 174.62 175.88