#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qkh h VAL 9 N 0.00 1.30 -2.96 1.61 2.07 -1.98 -3.48 116.25 112.82 1qkh h VAL 9 Ca 0.00 -2.66 -0.05 0.00 0.82 0.00 0.00 66.70 64.80 1qkh h VAL 9 Cb 0.00 3.06 -0.15 0.00 -1.52 0.00 0.00 31.29 32.68 1qkh h VAL 9 CO 0.00 0.80 0.02 0.12 0.02 0.00 0.00 177.57 178.53 1qkh s PHE 10 N -2.57 -0.38 -0.06 1.57 2.19 -1.26 -5.13 117.98 112.33 1qkh s PHE 10 Ca -0.10 0.30 -0.02 0.00 0.33 0.00 0.00 56.93 57.44 1qkh s PHE 10 Cb 0.04 0.34 0.03 0.00 -1.31 0.00 0.00 43.02 42.12 1qkh s PHE 10 CO 0.92 -0.68 0.02 0.54 1.83 0.00 0.00 175.22 177.86 1qkh s VAL 11 N -2.92 0.20 -0.18 3.12 0.11 -1.26 -3.79 120.40 115.67 1qkh s VAL 11 Ca -0.03 0.22 -0.06 0.00 -2.93 0.00 0.00 61.98 59.19 1qkh s VAL 11 Cb -0.00 -0.40 -0.04 0.00 -1.53 0.00 0.00 36.38 34.41 1qkh s VAL 11 CO -0.06 0.22 0.49 0.47 -3.33 0.00 0.00 175.10 172.89 1qkh n ASP 12 N 5.20 0.05 0.20 3.54 8.00 -1.21 -4.72 116.55 127.62 1qkh n ASP 12 Ca -0.06 0.03 0.06 0.00 0.71 0.00 0.00 54.79 55.54 1qkh n ASP 12 Cb 0.50 -0.17 0.41 0.00 -0.02 0.00 0.00 41.12 41.84 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 2.17 0.00 1.13 -2.24 5.19 -1.97 -1.85 116.42 118.86 1qkh h ASP 13 Ca -0.01 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.40 1qkh h ASP 13 Cb 0.24 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.75 1qkh h ASP 13 CO 0.25 0.33 0.00 1.57 -3.12 0.00 0.00 179.24 178.27 1qkh n HIS 14 N -3.63 0.76 0.03 4.55 -0.00 -1.26 -2.37 115.22 113.30 1qkh n HIS 14 Ca -0.01 0.25 -0.16 0.00 0.46 0.00 0.00 57.72 58.26 1qkh n HIS 14 Cb 0.44 -0.90 -0.14 0.00 -0.12 0.00 0.00 29.99 29.27 1qkh n HIS 14 CO 0.00 0.00 0.00 1.25 0.46 0.00 0.00 176.34 178.05 1qkh h LEU 15 N 0.00 0.30 -0.21 0.27 5.85 -1.60 -3.35 115.31 116.57 1qkh h LEU 15 Ca 0.00 -0.51 -0.11 0.00 0.84 0.00 0.00 57.88 58.11 1qkh h LEU 15 Cb 0.56 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.50 1qkh h LEU 15 CO 0.00 1.44 -0.29 -0.07 -0.34 0.00 0.00 178.44 179.18 1qkh h LEU 16 N 0.05 0.61 -1.91 2.25 3.38 -1.43 -0.07 115.31 118.20 1qkh h LEU 16 Ca -0.29 -0.51 0.00 0.00 0.09 0.00 0.00 57.88 57.17 1qkh h LEU 16 Cb 2.01 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 42.59 1qkh h LEU 16 CO 0.12 1.00 0.34 1.05 0.09 0.00 0.00 178.44 181.05 1qkh h GLU 17 N 0.23 0.00 0.00 1.13 4.11 -1.61 0.57 114.58 119.01 1qkh h GLU 17 Ca 0.02 0.00 -0.26 0.00 0.07 0.00 0.00 59.36 59.20 1qkh h GLU 17 Cb 0.86 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.06 1qkh h GLU 17 CO 0.07 0.00 -1.96 1.63 0.07 0.00 0.00 179.01 178.82 1qkh n LYS 18 N -2.84 1.41 -0.02 1.06 5.02 -1.08 -4.40 118.16 117.32 1qkh n LYS 18 Ca -0.02 0.02 -0.17 0.00 -2.02 0.00 0.00 58.31 56.12 1qkh n LYS 18 Cb 0.39 -1.35 -0.08 0.00 -0.02 0.00 0.00 35.03 33.97 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 1.29 0.00 -0.18 3.04 0.19 -2.14 116.25 118.45 1qkh h VAL 19 Ca -0.38 -1.96 -0.00 0.00 -1.01 0.00 0.00 66.70 63.35 1qkh h VAL 19 Cb 1.79 2.04 -0.00 0.00 -2.01 0.00 0.00 31.29 33.11 1qkh h VAL 19 CO -0.00 0.62 -0.02 0.17 -1.01 0.00 0.00 177.57 177.33 1qkh h LEU 20 N 0.46 0.00 -0.03 3.16 8.10 -1.19 0.25 115.31 126.07 1qkh h LEU 20 Ca -0.05 0.00 -0.25 0.00 0.11 0.00 0.00 57.88 57.68 1qkh h LEU 20 Cb 1.38 0.00 0.01 0.00 -0.44 0.00 0.00 40.66 41.61 1qkh h LEU 20 CO 0.15 0.02 -1.10 -0.33 -4.11 0.00 0.00 178.44 173.07 1qkh h GLU 21 N 0.00 0.40 0.00 0.17 5.08 -1.72 -2.36 114.58 116.16 1qkh h GLU 21 Ca -0.00 -0.52 -0.11 0.00 -1.00 0.00 0.00 59.36 57.73 1qkh h GLU 21 Cb 0.04 0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 1qkh h GLU 21 CO 0.00 1.19 -0.52 -0.07 -1.00 0.00 0.00 179.01 178.62 1qkh h LEU 22 N 0.19 0.00 0.00 1.33 3.38 -0.18 -2.27 115.31 117.76 1qkh h LEU 22 Ca -0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.85 1qkh h LEU 22 Cb 1.77 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.52 1qkh h LEU 22 CO 0.19 0.52 -0.20 0.59 0.09 0.00 0.00 178.44 179.63 1qkh n ASN 23 N -3.70 0.34 0.00 -0.43 3.02 0.65 -0.48 115.26 114.65 1qkh n ASN 23 Ca -0.01 0.27 -0.18 0.00 -0.03 0.00 0.00 54.58 54.64 1qkh n ASN 23 Cb 0.57 -0.28 -0.14 0.00 -0.61 0.00 0.00 39.78 39.32 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 0.52 0.00 5.41 0.00 -0.95 -3.38 119.26 123.72 1qkh h ALA 24 Ca 0.00 -1.40 -0.13 0.00 0.00 0.00 0.00 54.91 53.37 1qkh h ALA 24 Cb 0.57 0.64 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 1qkh h ALA 24 CO 0.00 1.38 -1.85 0.36 0.00 0.00 0.00 179.25 179.14 1qkh n LYS 25 N -3.37 0.65 -0.16 0.00 2.85 -0.90 -4.99 118.16 112.25 1qkh n LYS 25 Ca -0.27 -0.01 0.00 0.00 -1.05 0.00 0.00 58.31 56.97 1qkh n LYS 25 Cb 1.05 -1.62 0.00 0.00 -0.65 0.00 0.00 35.03 33.81 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 1.41 1.81 3.71 2.58 0.00 -0.08 -5.08 105.19 109.54 1qkh n GLY 26 Ca -0.12 -0.08 -0.38 0.00 0.00 0.00 0.00 46.02 45.44 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 -1.19 4.30 -0.92 1.61 0.41 0.37 -5.00 118.70 118.26 1qkh s GLU 27 Ca 0.00 0.35 -0.01 0.00 -0.41 0.00 0.00 54.97 54.90 1qkh s GLU 27 Cb 0.00 -3.45 0.29 0.00 -1.78 0.00 0.00 34.13 29.18 1qkh s GLU 27 CO 0.00 0.13 1.20 1.63 -0.49 0.00 0.00 175.26 177.73 1qkh n LYS 28 N 3.82 3.73 0.00 1.61 5.02 -1.26 -4.58 118.16 126.51 1qkh n LYS 28 Ca -0.08 -4.60 0.00 0.00 -2.02 0.00 0.00 58.31 51.62 1qkh n LYS 28 Cb 0.51 -2.42 0.00 0.00 -0.02 0.00 0.00 35.03 33.10 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 1.21 3.85 -4.29 1.97 3.00 -1.26 -4.88 116.66 116.26 1qkh n ARG 29 Ca 0.27 0.00 -0.26 0.00 -0.00 0.00 0.00 57.85 57.86 1qkh n ARG 29 Cb 0.36 0.00 -0.09 0.00 0.00 0.00 0.00 32.46 32.73 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 3.03 -0.12 6.15 0.05 -1.26 -1.99 118.68 124.55 1qkh s LEU 30 Ca 0.00 -0.59 -0.02 0.00 0.05 0.00 0.00 54.13 53.57 1qkh s LEU 30 Cb 0.00 -1.67 0.04 0.00 -2.05 0.00 0.00 46.19 42.51 1qkh s LEU 30 CO 0.00 0.08 0.01 -0.63 -0.55 0.00 0.00 176.35 175.26 1qkh s ILE 31 N -1.86 0.44 0.04 1.48 1.01 -0.89 -4.90 121.20 116.52 1qkh s ILE 31 Ca 0.27 -0.14 0.01 0.00 0.00 0.00 0.00 60.65 60.79 1qkh s ILE 31 Cb -0.08 -0.73 -0.04 0.00 0.01 0.00 0.00 42.46 41.62 1qkh s ILE 31 CO 0.16 0.09 0.12 -1.59 0.00 0.00 0.00 174.94 173.72 1qkh s LYS 32 N 1.93 3.12 0.06 2.79 0.00 -1.26 -0.41 119.74 125.97 1qkh s LYS 32 Ca 0.03 -0.54 0.01 0.00 0.00 0.00 0.00 55.97 55.47 1qkh s LYS 32 Cb -0.14 -2.87 -0.03 0.00 0.00 0.00 0.00 37.83 34.78 1qkh s LYS 32 CO -0.06 0.61 -0.05 0.99 0.00 0.00 0.00 175.35 176.84 1qkh s THR 33 N -1.36 0.42 -0.39 3.79 2.01 -1.03 -4.63 115.64 114.44 1qkh s THR 33 Ca 0.29 -1.59 0.05 0.00 0.31 0.00 0.00 61.69 60.75 1qkh s THR 33 Cb -0.12 -1.23 0.44 0.00 0.01 0.00 0.00 72.50 71.60 1qkh s THR 33 CO 0.21 -0.78 1.21 0.79 -0.69 0.00 0.00 174.62 175.37 1qkh n TRP 34 N 0.51 3.08 -1.10 4.92 8.01 -1.26 -3.17 117.44 128.43 1qkh n TRP 34 Ca -0.16 -2.66 0.00 0.00 -1.31 0.00 0.00 57.50 53.36 1qkh n TRP 34 Cb 0.59 -0.29 0.00 0.00 -2.01 0.00 0.00 31.31 29.60 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 -0.61 0.00 -0.06 -0.99 7.64 -1.26 -5.04 113.62 113.30 1qkh n SER 35 Ca 0.43 -0.72 -0.07 0.00 1.01 0.00 0.00 58.87 59.52 1qkh n SER 35 Cb 0.79 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.97 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 -0.72 0.39 -1.09 1.43 0.63 -1.26 -4.58 116.66 111.46 1qkh n ARG 36 Ca 0.00 0.15 -0.23 0.00 -0.92 0.00 0.00 57.85 56.86 1qkh n ARG 36 Cb 0.00 -1.17 0.04 0.00 0.45 0.00 0.00 32.46 31.78 1qkh n ARG 36 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99 1qkh n ARG 37 N -4.01 2.10 -1.21 -0.14 0.00 -1.26 -4.72 116.66 107.42 1qkh n ARG 37 Ca -0.10 -2.10 -0.46 0.00 -0.00 0.00 0.00 57.85 55.19 1qkh n ARG 37 Cb 0.38 -1.84 -0.12 0.00 0.00 0.00 0.00 32.46 30.87 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 0.09 0.48 -4.42 6.15 7.64 -1.26 -4.52 113.62 117.78 1qkh n SER 38 Ca 0.40 0.40 -0.22 0.00 1.01 0.00 0.00 58.87 60.46 1qkh n SER 38 Cb 0.58 -0.81 -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 6.54 2.21 0.59 0.44 2.01 -1.25 -4.64 115.64 121.54 1qkh s THR 39 Ca 1.13 -2.32 -0.02 0.00 0.31 0.00 0.00 61.69 60.79 1qkh s THR 39 Cb -1.23 -2.20 0.04 0.00 0.01 0.00 0.00 72.50 69.12 1qkh s THR 39 CO 0.52 -0.46 0.85 -0.63 -0.69 0.00 0.00 174.62 174.21 1qkh s ILE 40 N -2.63 2.77 0.27 1.82 1.09 -1.26 -3.31 121.20 119.95 1qkh s ILE 40 Ca 0.27 -0.46 0.03 0.00 -1.10 0.00 0.00 60.65 59.39 1qkh s ILE 40 Cb -0.04 -3.09 -0.04 0.00 -1.06 0.00 0.00 42.46 38.23 1qkh s ILE 40 CO 0.12 -0.08 0.20 0.68 -0.10 0.00 0.00 174.94 175.76 1qkh s VAL 41 N -2.92 0.03 0.33 2.92 -7.23 -1.26 -4.03 120.40 108.25 1qkh s VAL 41 Ca 0.57 -2.00 0.06 0.00 -1.81 0.00 0.00 61.98 58.80 1qkh s VAL 41 Cb -0.10 -2.50 0.12 0.00 0.56 0.00 0.00 36.38 34.45 1qkh s VAL 41 CO 0.41 0.00 1.82 1.55 -0.31 0.00 0.00 175.10 178.57 1qkh h PRO 42 N 2.36 0.39 0.00 4.82 0.13 -1.96 -2.10 132.00 135.64 1qkh h PRO 42 Ca -0.31 -0.11 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 1qkh h PRO 42 Cb 1.24 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1qkh h PRO 42 CO 0.45 0.55 0.00 0.39 -0.23 0.00 0.00 178.00 179.16 1qkh n GLU 43 N -4.20 0.08 0.00 0.86 1.02 -1.26 -1.66 120.64 115.47 1qkh n GLU 43 Ca -0.00 0.51 0.14 0.00 -0.02 0.00 0.00 57.16 57.78 1qkh n GLU 43 Cb 0.33 -1.72 0.51 0.00 -0.02 0.00 0.00 31.44 30.53 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 -1.88 0.76 0.00 3.49 2.81 -0.79 -4.40 117.12 117.11 1qkh n MET 44 Ca 0.00 -0.36 0.00 0.00 -1.81 0.00 0.00 57.70 55.54 1qkh n MET 44 Cb 0.07 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 31.09 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 -0.81 0.00 -2.39 2.03 3.14 -0.67 -1.63 118.33 118.00 1qkh n VAL 45 Ca 0.13 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.52 1qkh n VAL 45 Cb 0.31 -0.92 0.00 0.00 -1.06 0.00 0.00 33.84 32.17 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 -0.70 0.95 3.21 7.55 0.00 -1.26 -3.31 105.19 111.63 1qkh n GLY 46 Ca 0.00 -0.60 -0.10 0.00 0.00 0.00 0.00 46.02 45.31 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 -0.26 0.03 -0.87 1.61 4.02 -0.65 -4.47 115.29 114.71 1qkh s HIS 47 Ca 0.23 -0.30 -0.14 0.00 1.02 0.00 0.00 55.06 55.88 1qkh s HIS 47 Cb 0.28 0.01 0.22 0.00 -1.02 0.00 0.00 32.58 32.07 1qkh s HIS 47 CO -0.11 -0.49 0.82 0.99 1.02 0.00 0.00 174.74 176.97 1qkh s THR 48 N -2.99 5.64 -0.26 1.30 2.01 -0.84 -1.47 115.64 119.03 1qkh s THR 48 Ca -0.02 -2.58 -0.23 0.00 0.31 0.00 0.00 61.69 59.17 1qkh s THR 48 Cb 0.01 -4.50 -0.01 0.00 0.01 0.00 0.00 72.50 68.01 1qkh s THR 48 CO -0.06 -1.06 0.76 -0.63 -0.69 0.00 0.00 174.62 172.94 1qkh s ILE 49 N 0.04 4.87 -1.11 1.82 1.01 -0.65 -2.09 121.20 125.10 1qkh s ILE 49 Ca 0.20 1.35 -0.21 0.00 0.00 0.00 0.00 60.65 61.99 1qkh s ILE 49 Cb -0.10 -4.07 0.05 0.00 0.01 0.00 0.00 42.46 38.35 1qkh s ILE 49 CO -0.09 -0.09 1.55 0.00 0.00 0.00 0.00 174.94 176.31 1qkh s ALA 50 N 2.77 2.89 0.19 9.38 0.00 0.45 -1.75 121.76 135.70 1qkh s ALA 50 Ca 0.32 -2.46 -0.30 0.00 0.00 0.00 0.00 51.96 49.52 1qkh s ALA 50 Cb -0.15 -4.57 -0.08 0.00 0.00 0.00 0.00 23.12 18.32 1qkh s ALA 50 CO 0.09 -3.54 1.25 0.14 0.00 0.00 0.00 175.76 173.70 1qkh s VAL 51 N 4.81 3.40 -0.53 0.00 -7.23 -0.99 -2.47 120.40 117.38 1qkh s VAL 51 Ca 0.49 1.17 -0.28 0.00 -1.81 0.00 0.00 61.98 61.55 1qkh s VAL 51 Cb 0.01 -3.75 0.01 0.00 0.56 0.00 0.00 36.38 33.22 1qkh s VAL 51 CO -0.04 0.18 1.47 -0.47 -0.31 0.00 0.00 175.10 175.93 1qkh s TYR 52 N 0.01 2.22 -2.00 2.82 5.04 -1.19 -1.58 117.35 122.67 1qkh s TYR 52 Ca 0.54 0.53 0.18 0.00 -2.44 0.00 0.00 57.07 55.88 1qkh s TYR 52 Cb -0.34 -4.35 1.09 0.00 0.35 0.00 0.00 41.96 38.71 1qkh s TYR 52 CO 0.38 -2.06 1.49 -1.71 -1.34 0.00 0.00 175.55 172.31 1qkh n ASN 53 N 9.76 0.00 0.00 4.32 5.15 0.72 -4.36 115.26 130.85 1qkh n ASN 53 Ca 0.14 -0.57 0.00 0.00 -0.60 0.00 0.00 54.58 53.55 1qkh n ASN 53 Cb 0.49 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.74 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 0.15 1.73 0.00 8.20 0.00 -1.26 -4.82 105.19 109.18 1qkh n GLY 54 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 0.69 -4.14 1.61 2.85 -1.26 -5.12 118.16 112.78 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 -0.49 -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 -0.88 0.75 -0.42 -1.58 1.03 -1.26 -5.12 119.66 112.18 1qkh s GLN 56 Ca 0.00 -1.14 -0.13 0.00 0.04 0.00 0.00 55.36 54.13 1qkh s GLN 56 Cb 0.00 -0.31 0.04 0.00 0.03 0.00 0.00 33.01 32.78 1qkh s GLN 56 CO 0.00 0.02 0.30 -1.01 -2.54 0.00 0.00 175.29 172.06 1qkh s HIS 57 N -2.74 3.25 -0.57 9.60 3.76 -1.26 -0.20 115.29 127.13 1qkh s HIS 57 Ca 0.04 -0.87 -0.19 0.00 -0.15 0.00 0.00 55.06 53.90 1qkh s HIS 57 Cb -0.01 -2.73 0.09 0.00 1.11 0.00 0.00 32.58 31.04 1qkh s HIS 57 CO -0.02 -0.68 0.70 0.08 -0.85 0.00 0.00 174.74 173.96 1qkh s VAL 58 N 1.61 4.81 -0.78 -0.90 1.01 -0.62 -4.67 120.40 120.87 1qkh s VAL 58 Ca 0.04 -0.83 -0.25 0.00 0.00 0.00 0.00 61.98 60.93 1qkh s VAL 58 Cb -0.21 -4.45 -0.04 0.00 0.00 0.00 0.00 36.38 31.68 1qkh s VAL 58 CO 0.08 -1.06 1.96 -2.16 0.00 0.00 0.00 175.10 173.92 1qkh s PRO 59 N 2.74 2.51 -0.19 2.72 0.04 -1.25 -2.35 135.00 139.20 1qkh s PRO 59 Ca 0.13 0.14 -0.06 0.00 0.04 0.00 0.00 61.00 61.25 1qkh s PRO 59 Cb -0.23 -4.79 -0.03 0.00 0.04 0.00 0.00 34.50 29.50 1qkh s PRO 59 CO 0.08 -3.21 0.03 0.14 0.04 0.00 0.00 177.00 174.08 1qkh s VAL 60 N 10.08 4.32 -0.49 -0.36 -7.23 -0.72 -4.67 120.40 121.33 1qkh s VAL 60 Ca 0.71 -0.19 -0.27 0.00 -1.81 0.00 0.00 61.98 60.42 1qkh s VAL 60 Cb -0.10 -2.95 -0.02 0.00 0.56 0.00 0.00 36.38 33.87 1qkh s VAL 60 CO 0.08 0.44 1.81 -0.47 -0.31 0.00 0.00 175.10 176.65 1qkh s TYR 61 N 0.74 1.77 0.08 2.82 6.14 -1.25 -1.63 117.35 126.01 1qkh s TYR 61 Ca 0.02 0.73 -0.28 0.00 0.64 0.00 0.00 57.07 58.18 1qkh s TYR 61 Cb -0.14 -4.12 -0.17 0.00 0.42 0.00 0.00 41.96 37.96 1qkh s TYR 61 CO 0.02 -2.51 1.67 0.82 0.64 0.00 0.00 175.55 176.20 1qkh h ILE 62 N 6.83 0.68 -2.66 3.14 5.03 -1.36 -3.46 117.51 125.72 1qkh h ILE 62 Ca -0.29 -0.02 0.22 0.00 -0.12 0.00 0.00 64.86 64.65 1qkh h ILE 62 Cb 1.16 0.69 -0.06 0.00 -3.03 0.00 0.00 36.82 35.59 1qkh h ILE 62 CO 1.14 0.00 -0.29 0.35 -0.68 0.00 0.00 178.15 178.67 1qkh n THR 63 N -5.27 0.00 -1.12 -0.27 -2.24 -1.21 -1.94 114.28 102.23 1qkh n THR 63 Ca -0.10 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.47 1qkh n THR 63 Cb 0.20 -0.28 0.01 0.00 -2.10 0.00 0.00 70.33 68.16 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 -3.23 2.06 0.00 -0.78 4.07 -1.26 -4.01 120.64 117.49 1qkh n GLU 64 Ca 0.01 -1.92 0.00 0.00 -0.06 0.00 0.00 57.16 55.18 1qkh n GLU 64 Cb 0.37 -1.84 0.00 0.00 -0.06 0.00 0.00 31.44 29.91 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 0.48 0.00 0.07 4.31 5.15 -1.23 -4.93 115.26 119.11 1qkh n ASN 65 Ca 0.38 0.00 0.05 0.00 -0.60 0.00 0.00 54.58 54.42 1qkh n ASN 65 Cb 0.58 0.00 -0.04 0.00 -0.53 0.00 0.00 39.78 39.79 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 -7.30 1.20 2.86 -1.55 -3.48 114.93 106.66 1qkh h MET 66 Ca 0.00 0.00 -0.52 0.00 -2.06 0.00 0.00 59.70 57.12 1qkh h MET 66 Cb 0.00 0.00 0.15 0.00 0.06 0.00 0.00 31.60 31.81 1qkh h MET 66 CO 0.00 0.17 0.29 0.54 1.06 0.00 0.00 176.91 178.97 1qkh s VAL 67 N -3.12 2.94 0.00 -2.22 0.11 -1.26 -4.31 120.40 112.54 1qkh s VAL 67 Ca -0.01 0.30 0.00 0.00 -2.93 0.00 0.00 61.98 59.34 1qkh s VAL 67 Cb 0.09 -2.65 0.00 0.00 -1.53 0.00 0.00 36.38 32.29 1qkh s VAL 67 CO 0.80 -0.40 0.00 0.61 -3.33 0.00 0.00 175.10 172.78 1qkh n GLY 68 N -0.78 1.62 0.00 6.54 0.00 -1.26 -4.99 105.19 106.32 1qkh n GLY 68 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 -0.54 0.00 0.00 1.61 8.25 -1.26 -4.79 115.22 118.49 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 -0.62 0.00 0.00 -0.41 -0.00 -1.26 -4.32 118.16 111.55 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 0.26 -5.58 -0.00 -1.26 -4.56 117.00 105.86 1qkh n LEU 71 Ca 0.00 0.00 0.17 0.00 -0.00 0.00 0.00 56.01 56.18 1qkh n LEU 71 Cb 0.00 0.00 0.69 0.00 -0.00 0.00 0.00 43.42 44.11 1qkh n LEU 71 CO 0.00 0.00 0.98 1.23 -0.00 0.00 0.00 177.39 179.60 1qkh h GLY 72 N 0.00 0.00 1.39 1.47 0.00 -1.92 0.24 103.07 104.25 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 -0.46 0.83 0.00 0.00 0.00 176.54 176.91 1qkh h GLU 73 N 0.00 0.00 0.00 4.80 5.08 -1.94 -2.24 114.58 120.28 1qkh h GLU 73 Ca 0.00 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.30 1qkh h GLU 73 Cb 0.44 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 1qkh h GLU 73 CO 0.00 0.00 -2.05 1.19 -1.00 0.00 0.00 179.01 177.15 1qkh n PHE 74 N -2.19 0.01 -2.84 4.33 3.01 -0.71 -4.53 117.46 114.54 1qkh n PHE 74 Ca 0.04 0.00 -0.18 0.00 1.01 0.00 0.00 57.45 58.32 1qkh n PHE 74 Cb 0.44 -0.59 -0.01 0.00 -0.01 0.00 0.00 39.48 39.31 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 -2.34 3.45 -1.22 4.37 0.00 -0.01 -4.94 120.51 119.81 1qkh n ALA 75 Ca -0.09 -3.67 -0.20 0.00 0.00 0.00 0.00 53.44 49.48 1qkh n ALA 75 Cb 0.67 -0.84 -0.12 0.00 0.00 0.00 0.00 19.45 19.17 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 -0.05 2.35 -1.51 0.00 -0.04 -0.85 -4.79 135.00 130.11 1qkh n PRO 76 Ca 0.23 -1.62 -0.29 0.00 -0.04 0.00 0.00 63.50 61.78 1qkh n PRO 76 Cb 0.67 -2.12 0.12 0.00 -0.04 0.00 0.00 33.50 32.13 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 -0.08 2.35 0.79 0.52 -1.32 -1.26 -5.06 115.64 111.58 1qkh s THR 77 Ca 0.64 0.11 -0.08 0.00 -1.21 0.00 0.00 61.69 61.15 1qkh s THR 77 Cb 0.33 -2.84 0.12 0.00 -1.51 0.00 0.00 72.50 68.59 1qkh s THR 77 CO -0.08 -0.15 1.11 -0.60 -2.21 0.00 0.00 174.62 172.69 1qkh s ARG 78 N -5.22 1.59 0.02 7.08 3.52 -1.26 -5.05 118.95 119.63 1qkh s ARG 78 Ca 0.63 -0.50 -0.21 0.00 -0.13 0.00 0.00 55.73 55.52 1qkh s ARG 78 Cb -0.15 -2.10 -0.06 0.00 -1.56 0.00 0.00 34.95 31.08 1qkh s ARG 78 CO 0.54 -1.66 0.63 0.95 -0.81 0.00 0.00 175.30 174.95 1qkh s THR 79 N -3.43 4.84 0.00 4.11 -4.23 -1.26 -5.29 115.64 110.38 1qkh s THR 79 Ca 0.66 1.34 0.00 0.00 -1.18 0.00 0.00 61.69 62.51 1qkh s THR 79 Cb -0.07 -3.97 0.00 0.00 1.34 0.00 0.00 72.50 69.79 1qkh s THR 79 CO 0.47 0.42 0.14 -1.22 -0.54 0.00 0.00 174.62 173.89