#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 3.26 0.04 1.61 1.01 -1.26 -4.88 120.40 120.18 1qkh s VAL 9 Ca 0.00 -1.53 0.09 0.00 0.00 0.00 0.00 61.98 60.54 1qkh s VAL 9 Cb 0.00 -2.98 -0.03 0.00 0.00 0.00 0.00 36.38 33.37 1qkh s VAL 9 CO 0.00 -0.30 -0.26 0.12 0.00 0.00 0.00 175.10 174.66 1qkh s PHE 10 N 1.25 2.35 -0.37 5.22 2.19 -1.17 -5.01 117.98 122.44 1qkh s PHE 10 Ca -0.00 -0.40 -0.13 0.00 0.33 0.00 0.00 56.93 56.73 1qkh s PHE 10 Cb -0.21 -1.41 0.01 0.00 -1.31 0.00 0.00 43.02 40.11 1qkh s PHE 10 CO -0.01 0.13 0.24 0.08 1.83 0.00 0.00 175.22 177.48 1qkh s VAL 11 N -0.80 4.98 -0.59 3.12 1.01 -1.26 -0.39 120.40 126.48 1qkh s VAL 11 Ca 0.12 -0.58 -0.37 0.00 0.00 0.00 0.00 61.98 61.15 1qkh s VAL 11 Cb -0.10 -3.70 -0.17 0.00 0.00 0.00 0.00 36.38 32.42 1qkh s VAL 11 CO 0.02 -0.17 2.33 -0.67 0.00 0.00 0.00 175.10 176.61 1qkh n ASP 12 N 5.08 1.14 0.25 3.32 2.03 -1.26 -4.74 116.55 122.36 1qkh n ASP 12 Ca -0.12 0.37 0.12 0.00 0.52 0.00 0.00 54.79 55.68 1qkh n ASP 12 Cb 0.48 -1.06 0.61 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 11.61 0.00 0.45 1.67 3.58 -1.96 -2.01 116.42 129.76 1qkh h ASP 13 Ca -0.15 0.00 -0.04 0.00 0.42 0.00 0.00 57.03 57.27 1qkh h ASP 13 Cb 1.35 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.40 1qkh h ASP 13 CO 1.16 0.17 -0.17 -0.74 -2.88 0.00 0.00 179.24 176.77 1qkh h HIS 14 N 0.00 0.00 0.20 0.28 2.76 -1.96 -1.74 115.15 114.69 1qkh h HIS 14 Ca -0.00 0.00 -0.31 0.00 -2.20 0.00 0.00 60.37 57.86 1qkh h HIS 14 Cb 0.52 0.00 0.03 0.00 1.55 0.00 0.00 27.41 29.51 1qkh h HIS 14 CO 0.00 0.17 -1.38 1.37 -1.30 0.00 0.00 177.93 176.80 1qkh h LEU 15 N 0.00 0.71 -0.65 0.26 8.10 -1.62 -3.28 115.31 118.82 1qkh h LEU 15 Ca -0.00 -0.74 -0.03 0.00 0.11 0.00 0.00 57.88 57.22 1qkh h LEU 15 Cb 0.45 -0.23 -0.03 0.00 -0.44 0.00 0.00 40.66 40.41 1qkh h LEU 15 CO 0.02 1.58 0.30 -0.07 -4.11 0.00 0.00 178.44 176.16 1qkh h LEU 16 N 0.13 0.86 -1.92 0.17 4.07 -1.37 -1.05 115.31 116.20 1qkh h LEU 16 Ca -0.21 -0.14 0.24 0.00 0.08 0.00 0.00 57.88 57.85 1qkh h LEU 16 Cb 2.08 -0.22 -0.04 0.00 1.08 0.00 0.00 40.66 43.56 1qkh h LEU 16 CO 0.25 0.76 0.60 1.05 -1.08 0.00 0.00 178.44 180.02 1qkh h GLU 17 N 0.90 0.06 0.00 1.13 4.11 -1.39 0.72 114.58 120.11 1qkh h GLU 17 Ca 0.22 -0.00 -0.24 0.00 0.07 0.00 0.00 59.36 59.41 1qkh h GLU 17 Cb 0.14 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.33 1qkh h GLU 17 CO -0.03 0.04 -1.69 1.63 0.07 0.00 0.00 179.01 179.03 1qkh n LYS 18 N -4.32 0.64 -0.02 1.06 5.02 -0.76 -3.88 118.16 115.89 1qkh n LYS 18 Ca 0.17 0.21 -0.18 0.00 -2.02 0.00 0.00 58.31 56.50 1qkh n LYS 18 Cb 0.88 -1.76 -0.07 0.00 -0.02 0.00 0.00 35.03 34.06 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 0.00 1.28 -0.61 -0.18 2.07 0.33 -1.94 116.25 117.20 1qkh h VAL 19 Ca -0.26 -1.98 -0.01 0.00 0.82 0.00 0.00 66.70 65.27 1qkh h VAL 19 Cb 1.84 2.01 -0.03 0.00 -1.52 0.00 0.00 31.29 33.60 1qkh h VAL 19 CO 0.06 0.63 0.35 -0.07 0.02 0.00 0.00 177.57 178.55 1qkh h LEU 20 N 0.52 0.74 -0.99 2.57 3.38 -1.29 0.18 115.31 120.41 1qkh h LEU 20 Ca -0.06 -0.05 -0.07 0.00 0.09 0.00 0.00 57.88 57.80 1qkh h LEU 20 Cb 1.42 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.97 1qkh h LEU 20 CO 0.16 0.58 -0.03 -0.33 0.09 0.00 0.00 178.44 178.91 1qkh h GLU 21 N 0.84 0.69 0.00 1.13 3.07 -1.63 -0.89 114.58 117.79 1qkh h GLU 21 Ca 0.22 -0.18 -0.12 0.00 -0.50 0.00 0.00 59.36 58.77 1qkh h GLU 21 Cb -0.00 -0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 27.81 1qkh h GLU 21 CO -0.04 0.73 -0.58 -0.07 -1.40 0.00 0.00 179.01 177.65 1qkh h LEU 22 N 0.64 0.00 0.00 1.33 -0.00 -0.21 -2.98 115.31 114.09 1qkh h LEU 22 Ca 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.00 1qkh h LEU 22 Cb 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.11 1qkh h LEU 22 CO 0.02 0.58 -0.12 0.59 -0.00 0.00 0.00 178.44 179.51 1qkh n ASN 23 N -3.36 0.46 0.07 -0.43 3.02 0.43 -1.07 115.26 114.39 1qkh n ASN 23 Ca 0.01 0.41 -0.15 0.00 -0.03 0.00 0.00 54.58 54.82 1qkh n ASN 23 Cb 0.71 -0.47 -0.14 0.00 -0.61 0.00 0.00 39.78 39.28 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 2.75 0.24 0.00 5.41 0.00 -1.02 -3.30 119.26 123.34 1qkh h ALA 24 Ca 0.00 -1.03 0.00 0.00 0.00 0.00 0.00 54.91 53.88 1qkh h ALA 24 Cb 0.62 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1qkh h ALA 24 CO 0.00 1.12 -1.04 1.63 0.00 0.00 0.00 179.25 180.96 1qkh n LYS 25 N -3.45 0.36 -1.59 0.00 4.76 -1.20 -4.96 118.16 112.08 1qkh n LYS 25 Ca -0.12 0.01 0.00 0.00 -2.87 0.00 0.00 58.31 55.34 1qkh n LYS 25 Cb 1.03 -1.64 0.00 0.00 -1.84 0.00 0.00 35.03 32.58 1qkh n LYS 25 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1qkh n GLY 26 N 1.33 0.62 3.74 0.72 0.00 -0.78 -5.06 105.19 105.75 1qkh n GLY 26 Ca 0.01 -0.76 -0.31 0.00 0.00 0.00 0.00 46.02 44.96 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 -3.33 2.81 -0.61 1.61 2.02 -0.23 -5.02 118.70 115.95 1qkh s GLU 27 Ca 0.00 -0.69 -0.02 0.00 0.02 0.00 0.00 54.97 54.28 1qkh s GLU 27 Cb 0.00 -2.69 0.16 0.00 0.10 0.00 0.00 34.13 31.70 1qkh s GLU 27 CO 0.00 0.58 0.41 0.15 0.02 0.00 0.00 175.26 176.42 1qkh s LYS 28 N -2.18 2.48 0.00 1.61 1.02 -1.26 -4.48 119.74 116.93 1qkh s LYS 28 Ca 0.26 -2.52 0.00 0.00 0.02 0.00 0.00 55.97 53.74 1qkh s LYS 28 Cb -0.12 -3.68 0.00 0.00 -0.52 0.00 0.00 37.83 33.51 1qkh s LYS 28 CO 0.19 -1.16 0.00 -2.13 -0.92 0.00 0.00 175.35 171.32 1qkh n ARG 29 N 3.48 3.73 -4.42 1.68 0.63 -1.26 -4.87 116.66 115.63 1qkh n ARG 29 Ca 0.07 0.00 -0.30 0.00 -0.92 0.00 0.00 57.85 56.70 1qkh n ARG 29 Cb 0.37 0.00 -0.12 0.00 0.45 0.00 0.00 32.46 33.17 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 2.67 -0.18 6.15 2.34 -1.26 -1.24 118.68 127.17 1qkh s LEU 30 Ca 0.00 -0.51 0.01 0.00 0.06 0.00 0.00 54.13 53.69 1qkh s LEU 30 Cb 0.00 -1.54 0.03 0.00 -0.56 0.00 0.00 46.19 44.12 1qkh s LEU 30 CO 0.00 0.20 -0.17 -0.63 -1.06 0.00 0.00 176.35 174.70 1qkh s ILE 31 N -1.07 1.87 0.50 1.48 1.09 -0.96 -4.91 121.20 119.20 1qkh s ILE 31 Ca 0.17 -0.90 -0.18 0.00 -1.10 0.00 0.00 60.65 58.64 1qkh s ILE 31 Cb -0.11 -1.76 -0.08 0.00 -1.06 0.00 0.00 42.46 39.46 1qkh s ILE 31 CO 0.09 0.44 0.99 -0.54 -0.10 0.00 0.00 174.94 175.81 1qkh s LYS 32 N 1.35 3.94 0.03 2.79 -0.14 -1.26 -0.15 119.74 126.30 1qkh s LYS 32 Ca 0.03 1.06 -0.00 0.00 -1.36 0.00 0.00 55.97 55.70 1qkh s LYS 32 Cb -0.14 -2.13 -0.03 0.00 -1.68 0.00 0.00 37.83 33.85 1qkh s LYS 32 CO -0.11 -0.28 -0.03 0.99 -0.76 0.00 0.00 175.35 175.15 1qkh s THR 33 N -2.43 0.18 -0.18 2.17 2.01 -0.72 -4.61 115.64 112.05 1qkh s THR 33 Ca 0.61 -1.21 0.20 0.00 0.31 0.00 0.00 61.69 61.60 1qkh s THR 33 Cb -0.11 -0.68 0.42 0.00 0.01 0.00 0.00 72.50 72.14 1qkh s THR 33 CO 0.26 -0.65 1.19 0.79 -0.69 0.00 0.00 174.62 175.52 1qkh n TRP 34 N 1.12 0.24 0.00 4.92 8.01 -1.26 -3.84 117.44 126.63 1qkh n TRP 34 Ca -0.21 -1.48 0.00 0.00 -1.31 0.00 0.00 57.50 54.50 1qkh n TRP 34 Cb 0.57 0.17 0.00 0.00 -2.01 0.00 0.00 31.31 30.04 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 -0.42 0.00 0.05 -0.99 7.64 -1.26 -5.03 113.62 113.61 1qkh n SER 35 Ca -0.01 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.87 1qkh n SER 35 Cb 0.90 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.10 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 0.00 0.00 -1.33 1.43 3.00 -1.25 -4.77 116.66 113.74 1qkh n ARG 36 Ca 0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 57.85 57.55 1qkh n ARG 36 Cb 0.00 0.00 0.11 0.00 0.00 0.00 0.00 32.46 32.57 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 -2.74 2.60 -1.51 -0.14 1.85 -1.26 -2.38 116.66 113.08 1qkh n ARG 37 Ca 0.00 -3.28 -0.42 0.00 -1.00 0.00 0.00 57.85 53.15 1qkh n ARG 37 Cb 0.00 -2.23 0.01 0.00 -1.05 0.00 0.00 32.46 29.18 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 -0.98 -0.09 -4.21 2.89 7.64 -1.24 -3.05 113.62 114.58 1qkh n SER 38 Ca 0.59 0.97 -0.12 0.00 1.01 0.00 0.00 58.87 61.32 1qkh n SER 38 Cb 0.97 -1.19 -0.10 0.00 -1.01 0.00 0.00 64.21 62.88 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 -1.36 0.91 0.65 0.44 2.01 0.48 -4.62 115.64 114.15 1qkh s THR 39 Ca 0.63 -2.00 -0.08 0.00 0.31 0.00 0.00 61.69 60.55 1qkh s THR 39 Cb -0.61 -1.78 0.01 0.00 0.01 0.00 0.00 72.50 70.13 1qkh s THR 39 CO 0.57 -0.80 0.99 -0.63 -0.69 0.00 0.00 174.62 174.07 1qkh s ILE 40 N -3.49 3.54 0.32 1.82 1.09 -1.26 -4.12 121.20 119.10 1qkh s ILE 40 Ca 0.15 0.21 0.03 0.00 -1.10 0.00 0.00 60.65 59.94 1qkh s ILE 40 Cb 0.04 -3.45 -0.04 0.00 -1.06 0.00 0.00 42.46 37.95 1qkh s ILE 40 CO -0.02 -0.53 0.14 0.68 -0.10 0.00 0.00 174.94 175.11 1qkh s VAL 41 N -3.16 0.46 0.25 2.92 -7.23 -1.26 -4.21 120.40 108.17 1qkh s VAL 41 Ca 0.56 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.74 1qkh s VAL 41 Cb -0.11 -2.52 0.02 0.00 0.56 0.00 0.00 36.38 34.33 1qkh s VAL 41 CO 0.48 0.00 1.65 1.55 -0.31 0.00 0.00 175.10 178.47 1qkh h PRO 42 N 2.15 0.46 0.00 4.82 0.13 -1.98 -2.62 132.00 134.96 1qkh h PRO 42 Ca -0.35 -0.22 0.00 0.00 -0.87 0.00 0.00 66.00 64.57 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 0.55 0.77 0.00 0.39 -0.23 0.00 0.00 178.00 179.47 1qkh n GLU 43 N -4.04 0.15 0.00 0.86 4.71 -1.26 -2.38 120.64 118.67 1qkh n GLU 43 Ca -0.01 0.19 0.13 0.00 -0.01 0.00 0.00 57.16 57.46 1qkh n GLU 43 Cb 0.48 -1.50 0.50 0.00 -1.01 0.00 0.00 31.44 29.91 1qkh n GLU 43 CO 0.00 0.00 0.00 -1.33 0.09 0.00 0.00 177.13 175.89 1qkh n MET 44 N -1.33 0.53 0.00 3.49 2.81 -0.99 -4.35 117.12 117.28 1qkh n MET 44 Ca 0.05 -0.23 0.00 0.00 -1.81 0.00 0.00 57.70 55.72 1qkh n MET 44 Cb 0.11 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.12 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 -1.04 0.00 -2.48 2.03 3.14 -1.00 -1.62 118.33 117.35 1qkh n VAL 45 Ca 0.12 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.50 1qkh n VAL 45 Cb 0.31 -0.91 0.02 0.00 -1.06 0.00 0.00 33.84 32.20 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 -0.69 1.17 3.20 7.55 0.00 -1.26 -3.23 105.19 111.92 1qkh n GLY 46 Ca 0.00 -0.65 -0.11 0.00 0.00 0.00 0.00 46.02 45.26 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 -0.01 -0.87 1.61 4.02 -0.64 -4.19 115.29 114.39 1qkh s HIS 47 Ca 0.23 -0.15 -0.14 0.00 1.02 0.00 0.00 55.06 56.02 1qkh s HIS 47 Cb 0.30 0.01 0.22 0.00 -1.02 0.00 0.00 32.58 32.10 1qkh s HIS 47 CO -0.10 -0.43 0.83 0.99 1.02 0.00 0.00 174.74 177.04 1qkh s THR 48 N -2.35 5.64 -0.21 1.30 2.01 -0.37 -1.25 115.64 120.41 1qkh s THR 48 Ca -0.07 -2.57 -0.23 0.00 0.31 0.00 0.00 61.69 59.13 1qkh s THR 48 Cb -0.02 -4.50 -0.01 0.00 0.01 0.00 0.00 72.50 67.98 1qkh s THR 48 CO -0.03 -1.07 0.76 -0.63 -0.69 0.00 0.00 174.62 172.97 1qkh s ILE 49 N 0.06 4.91 -1.31 1.82 1.01 -0.46 -2.27 121.20 124.95 1qkh s ILE 49 Ca 0.20 1.45 -0.18 0.00 0.00 0.00 0.00 60.65 62.13 1qkh s ILE 49 Cb -0.10 -4.06 0.05 0.00 0.01 0.00 0.00 42.46 38.36 1qkh s ILE 49 CO -0.09 0.01 1.84 0.00 0.00 0.00 0.00 174.94 176.71 1qkh n ALA 50 N 5.51 3.79 -1.83 9.38 0.00 0.79 -1.58 120.51 136.56 1qkh n ALA 50 Ca 0.03 -3.79 -0.42 0.00 0.00 0.00 0.00 53.44 49.26 1qkh n ALA 50 Cb 0.49 -3.59 -0.03 0.00 0.00 0.00 0.00 19.45 16.32 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 4.51 2.46 -0.54 0.00 -7.23 -0.93 -1.76 120.40 116.91 1qkh s VAL 51 Ca 0.54 0.25 -0.28 0.00 -1.81 0.00 0.00 61.98 60.67 1qkh s VAL 51 Cb 0.06 -3.16 0.01 0.00 0.56 0.00 0.00 36.38 33.85 1qkh s VAL 51 CO 0.05 0.01 1.44 -0.47 -0.31 0.00 0.00 175.10 175.83 1qkh s TYR 52 N 1.58 2.25 -2.00 2.82 5.04 -1.25 -1.77 117.35 124.02 1qkh s TYR 52 Ca 0.74 0.51 0.04 0.00 -2.44 0.00 0.00 57.07 55.92 1qkh s TYR 52 Cb -0.46 -4.36 0.25 0.00 0.35 0.00 0.00 41.96 37.74 1qkh s TYR 52 CO 0.32 -2.02 0.98 0.27 -1.34 0.00 0.00 175.55 173.77 1qkh n ASN 53 N 9.66 0.00 0.00 4.32 6.94 -0.12 -3.72 115.26 132.34 1qkh n ASN 53 Ca 0.13 -1.48 0.00 0.00 -0.02 0.00 0.00 54.58 53.22 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 0.35 0.99 0.00 4.83 0.00 -1.00 -4.81 105.19 105.56 1qkh n GLY 54 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 3.49 -4.11 1.61 0.00 -1.26 -4.91 118.16 112.98 1qkh n LYS 55 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 58.31 58.19 1qkh n LYS 55 Cb 0.00 -0.49 -0.11 0.00 -0.00 0.00 0.00 35.03 34.43 1qkh n LYS 55 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.40 178.54 1qkh s GLN 56 N -0.40 0.66 -0.47 -1.58 1.03 -1.26 -5.11 119.66 112.53 1qkh s GLN 56 Ca 0.00 -1.00 -0.15 0.00 0.04 0.00 0.00 55.36 54.24 1qkh s GLN 56 Cb 0.00 -0.27 0.07 0.00 0.03 0.00 0.00 33.01 32.84 1qkh s GLN 56 CO 0.00 0.03 0.39 -1.01 -2.54 0.00 0.00 175.29 172.16 1qkh s HIS 57 N -2.31 3.25 -0.58 9.60 3.76 -1.26 -0.95 115.29 126.80 1qkh s HIS 57 Ca -0.01 -0.94 -0.19 0.00 -0.15 0.00 0.00 55.06 53.77 1qkh s HIS 57 Cb -0.04 -3.16 0.09 0.00 1.11 0.00 0.00 32.58 30.58 1qkh s HIS 57 CO -0.02 -0.80 0.71 0.08 -0.85 0.00 0.00 174.74 173.86 1qkh s VAL 58 N 1.64 4.79 -0.79 -0.90 1.01 -0.73 -4.68 120.40 120.74 1qkh s VAL 58 Ca 0.04 -0.83 -0.25 0.00 0.00 0.00 0.00 61.98 60.94 1qkh s VAL 58 Cb -0.24 -4.46 -0.06 0.00 0.00 0.00 0.00 36.38 31.62 1qkh s VAL 58 CO 0.07 -1.08 2.03 -2.16 0.00 0.00 0.00 175.10 173.95 1qkh s PRO 59 N 2.78 2.40 -0.16 2.72 0.04 -1.25 -2.18 135.00 139.35 1qkh s PRO 59 Ca 0.13 0.15 -0.04 0.00 0.04 0.00 0.00 61.00 61.29 1qkh s PRO 59 Cb -0.22 -4.83 -0.03 0.00 0.04 0.00 0.00 34.50 29.46 1qkh s PRO 59 CO 0.08 -3.38 -0.04 0.14 0.04 0.00 0.00 177.00 173.84 1qkh s VAL 60 N 10.69 3.83 -0.48 -0.36 -7.23 -0.62 -4.70 120.40 121.54 1qkh s VAL 60 Ca 0.75 -0.37 -0.28 0.00 -1.81 0.00 0.00 61.98 60.26 1qkh s VAL 60 Cb -0.10 -2.68 -0.01 0.00 0.56 0.00 0.00 36.38 34.15 1qkh s VAL 60 CO 0.07 0.49 1.68 -0.47 -0.31 0.00 0.00 175.10 176.56 1qkh s TYR 61 N 0.46 1.95 0.04 2.82 6.14 -1.25 -1.36 117.35 126.15 1qkh s TYR 61 Ca -0.04 0.65 -0.24 0.00 0.64 0.00 0.00 57.07 58.09 1qkh s TYR 61 Cb -0.14 -4.20 -0.12 0.00 0.42 0.00 0.00 41.96 37.91 1qkh s TYR 61 CO 0.03 -2.40 1.36 0.82 0.64 0.00 0.00 175.55 175.99 1qkh h ILE 62 N 6.69 0.00 -2.35 3.14 5.03 -1.28 -3.46 117.51 125.28 1qkh h ILE 62 Ca -0.29 0.00 0.26 0.00 -0.12 0.00 0.00 64.86 64.71 1qkh h ILE 62 Cb 1.14 0.00 -0.10 0.00 -3.03 0.00 0.00 36.82 34.83 1qkh h ILE 62 CO 1.13 0.00 -0.60 0.41 -0.68 0.00 0.00 178.15 178.41 1qkh n THR 63 N -4.33 0.00 -1.51 -0.27 -1.04 -1.19 -2.51 114.28 103.42 1qkh n THR 63 Ca -0.10 0.30 -0.36 0.00 -2.04 0.00 0.00 64.05 61.85 1qkh n THR 63 Cb 0.32 -0.64 -0.04 0.00 -1.82 0.00 0.00 70.33 68.16 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 -3.71 3.78 0.00 -2.82 4.07 -1.26 -3.84 120.64 116.86 1qkh n GLU 64 Ca -0.02 -2.51 0.00 0.00 -0.06 0.00 0.00 57.16 54.57 1qkh n GLU 64 Cb 0.47 -2.64 0.00 0.00 -0.06 0.00 0.00 31.44 29.21 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 2.74 0.00 0.07 4.31 5.15 -1.25 -4.94 115.26 121.34 1qkh n ASN 65 Ca 0.69 0.00 0.12 0.00 -0.60 0.00 0.00 54.58 54.79 1qkh n ASN 65 Cb 0.31 0.00 0.14 0.00 -0.53 0.00 0.00 39.78 39.71 1qkh n ASN 65 CO 0.00 0.00 0.00 0.24 1.40 0.00 0.00 177.26 178.90 1qkh h MET 66 N 0.00 0.00 -7.35 1.20 2.86 -1.59 -3.47 114.93 106.57 1qkh h MET 66 Ca 0.00 0.00 -0.50 0.00 -2.06 0.00 0.00 59.70 57.14 1qkh h MET 66 Cb 0.00 0.00 0.11 0.00 0.06 0.00 0.00 31.60 31.77 1qkh h MET 66 CO 0.00 0.00 0.34 0.54 1.06 0.00 0.00 176.91 178.85 1qkh s VAL 67 N -3.20 3.53 0.00 -2.22 0.11 -1.26 -4.33 120.40 113.03 1qkh s VAL 67 Ca 0.05 0.50 0.00 0.00 -2.93 0.00 0.00 61.98 59.60 1qkh s VAL 67 Cb 0.12 -3.17 0.00 0.00 -1.53 0.00 0.00 36.38 31.80 1qkh s VAL 67 CO 0.73 -0.65 0.00 0.61 -3.33 0.00 0.00 175.10 172.46 1qkh n GLY 68 N -1.82 2.52 0.00 6.54 0.00 -1.26 -4.97 105.19 106.20 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 -0.64 0.00 0.00 1.61 8.25 -1.26 -4.93 115.22 118.24 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 -0.63 0.00 0.00 -0.41 -0.00 -1.26 -4.29 118.16 111.57 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 -4.47 117.00 105.84 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 0.52 0.00 -0.00 0.00 0.00 43.42 43.94 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 1.58 1.47 0.00 -1.88 -1.47 103.07 102.77 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 -0.28 1.18 0.00 0.00 0.00 176.54 177.44 1qkh n GLU 73 N -2.39 0.20 -0.01 4.80 1.02 -1.26 -1.78 120.64 121.22 1qkh n GLU 73 Ca 0.02 0.11 0.09 0.00 -0.02 0.00 0.00 57.16 57.36 1qkh n GLU 73 Cb 0.25 -1.68 -0.15 0.00 -0.02 0.00 0.00 31.44 29.84 1qkh n GLU 73 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 1qkh n PHE 74 N -2.01 0.00 -2.75 -0.32 3.01 -0.71 -4.57 117.46 110.11 1qkh n PHE 74 Ca 0.05 0.00 -0.15 0.00 1.01 0.00 0.00 57.45 58.36 1qkh n PHE 74 Cb 0.41 -0.44 0.01 0.00 -0.01 0.00 0.00 39.48 39.45 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 -2.17 3.53 -1.17 4.37 0.00 -0.64 -4.95 120.51 119.49 1qkh n ALA 75 Ca -0.04 -3.50 -0.19 0.00 0.00 0.00 0.00 53.44 49.71 1qkh n ALA 75 Cb 0.50 -0.85 -0.13 0.00 0.00 0.00 0.00 19.45 18.97 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 -0.08 2.33 0.01 0.00 -0.04 -0.73 -4.34 135.00 132.14 1qkh n PRO 76 Ca 0.19 -1.48 -0.05 0.00 -0.04 0.00 0.00 63.50 62.12 1qkh n PRO 76 Cb 0.73 -2.13 -0.11 0.00 -0.04 0.00 0.00 33.50 31.96 1qkh n PRO 76 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1qkh h THR 77 N 2.11 0.72 -2.03 0.52 1.03 -1.92 -3.42 112.91 109.92 1qkh h THR 77 Ca 0.32 -2.40 -0.56 0.00 -0.01 0.00 0.00 66.41 63.75 1qkh h THR 77 Cb 1.19 2.26 -0.40 0.00 -1.07 0.00 0.00 68.15 70.14 1qkh h THR 77 CO 0.56 0.41 -1.04 -1.14 -0.01 0.00 0.00 175.52 174.30 1qkh n ARG 78 N -2.99 1.04 -3.37 0.00 0.63 -1.26 -4.97 116.66 105.73 1qkh n ARG 78 Ca -0.13 -3.47 -0.13 0.00 -0.92 0.00 0.00 57.85 53.21 1qkh n ARG 78 Cb 0.95 -1.43 0.01 0.00 0.45 0.00 0.00 32.46 32.44 1qkh n ARG 78 CO 0.00 0.00 0.00 2.41 -2.51 0.00 0.00 177.63 177.53 1qkh n THR 79 N 1.18 -7.53 0.52 5.15 -1.04 -1.26 -5.23 114.28 106.06 1qkh n THR 79 Ca 0.23 -0.35 0.06 0.00 -2.04 0.00 0.00 64.05 61.95 1qkh n THR 79 Cb 0.53 -5.38 0.05 0.00 -1.82 0.00 0.00 70.33 63.70 1qkh n THR 79 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21