#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hqi n THR 2 N 0.00 0.00 -3.77 0.00 5.66 -1.26 -4.14 114.28 110.76 2hqi n THR 2 Ca 0.00 -0.13 -0.30 0.00 -3.05 0.00 0.00 64.05 60.57 2hqi n THR 2 Cb 0.00 -0.57 -0.13 0.00 -1.55 0.00 0.00 70.33 68.07 2hqi n THR 2 CO 0.00 0.00 0.00 -1.58 -3.05 0.00 0.00 175.07 170.44 2hqi s GLN 3 N -3.59 1.50 -0.62 1.09 -0.44 0.69 -4.76 119.66 113.53 2hqi s GLN 3 Ca 0.46 -2.21 0.04 0.00 -2.50 0.00 0.00 55.36 51.15 2hqi s GLN 3 Cb -0.08 -2.61 0.15 0.00 -1.64 0.00 0.00 33.01 28.83 2hqi s GLN 3 CO 0.48 -1.16 0.40 -0.08 0.50 0.00 0.00 175.29 175.44 2hqi s THR 4 N 0.12 2.60 0.00 -0.34 -1.32 -1.25 0.20 115.64 115.65 2hqi s THR 4 Ca 0.18 -3.81 0.00 0.00 -1.21 0.00 0.00 61.69 56.85 2hqi s THR 4 Cb -0.24 -2.75 0.00 0.00 -1.51 0.00 0.00 72.50 68.01 2hqi s THR 4 CO -0.01 -0.94 0.00 0.52 -2.21 0.00 0.00 174.62 171.98 2hqi n VAL 5 N 2.45 0.00 -3.16 5.08 0.31 -0.94 -4.97 118.33 117.11 2hqi n VAL 5 Ca 0.15 0.00 -0.34 0.00 -0.01 0.00 0.00 64.34 64.14 2hqi n VAL 5 Cb 0.35 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 33.22 2hqi n VAL 5 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 2hqi s THR 6 N -2.92 4.67 -0.02 2.52 2.01 0.00 -2.38 115.64 119.52 2hqi s THR 6 Ca 0.00 1.03 0.03 0.00 0.31 0.00 0.00 61.69 63.07 2hqi s THR 6 Cb 0.00 -3.71 -0.00 0.00 0.01 0.00 0.00 72.50 68.80 2hqi s THR 6 CO 0.00 -0.01 -0.11 -0.76 -0.69 0.00 0.00 174.62 173.05 2hqi s LEU 7 N -2.53 1.88 0.15 4.42 1.43 0.83 0.26 118.68 125.12 2hqi s LEU 7 Ca 0.49 -0.23 -0.26 0.00 -1.03 0.00 0.00 54.13 53.10 2hqi s LEU 7 Cb -0.13 -0.65 -0.08 0.00 0.03 0.00 0.00 46.19 45.37 2hqi s LEU 7 CO 0.19 0.11 0.81 0.00 0.23 0.00 0.00 176.35 177.69 2hqi s ALA 8 N 0.02 3.40 -0.22 4.21 0.00 0.70 0.94 121.76 130.82 2hqi s ALA 8 Ca -0.01 0.40 0.01 0.00 0.00 0.00 0.00 51.96 52.36 2hqi s ALA 8 Cb -0.08 -3.02 0.05 0.00 0.00 0.00 0.00 23.12 20.07 2hqi s ALA 8 CO 0.00 0.22 -0.06 0.54 0.00 0.00 0.00 175.76 176.46 2hqi s VAL 9 N -0.87 1.52 0.00 0.00 0.11 -1.26 0.27 120.40 120.16 2hqi s VAL 9 Ca 0.38 -1.12 0.00 0.00 -2.93 0.00 0.00 61.98 58.31 2hqi s VAL 9 Cb -0.23 -1.73 0.00 0.00 -1.53 0.00 0.00 36.38 32.89 2hqi s VAL 9 CO 0.27 -0.02 0.00 -2.65 -3.33 0.00 0.00 175.10 169.37 2hqi n PRO 10 N 4.69 0.77 0.00 1.54 -0.02 -1.26 -4.05 135.00 136.67 2hqi n PRO 10 Ca -0.13 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.35 2hqi n PRO 10 Cb 0.45 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.93 2hqi n PRO 10 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2hqi n GLY 11 N 0.00 1.83 5.10 -1.23 0.00 -1.26 -4.22 105.19 105.41 2hqi n GLY 11 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.85 2hqi n GLY 11 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 2hqi n MET 12 N 0.00 0.00 -0.07 1.61 0.00 -1.26 0.26 117.12 117.67 2hqi n MET 12 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 57.70 57.71 2hqi n MET 12 Cb 0.00 0.00 0.04 0.00 0.00 0.00 0.00 33.22 33.26 2hqi n MET 12 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 175.97 173.60 2hqi n THR 13 N 0.00 0.19 -2.28 3.17 5.66 -1.26 -4.75 114.28 115.01 2hqi n THR 13 Ca 0.00 -0.14 -0.38 0.00 -3.05 0.00 0.00 64.05 60.48 2hqi n THR 13 Cb 0.00 -0.11 -0.02 0.00 -1.55 0.00 0.00 70.33 68.65 2hqi n THR 13 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2hqi h ALA 15 N 2.67 3.27 0.00 0.00 0.00 -1.89 -3.34 119.26 119.98 2hqi h ALA 15 Ca -0.49 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.37 2hqi h ALA 15 Cb 1.23 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.13 2hqi h ALA 15 CO 0.63 -1.90 0.00 0.00 0.00 0.00 0.00 179.25 177.98 2hqi n ALA 16 N -2.58 0.00 -0.02 0.00 0.00 -1.26 -5.04 120.51 111.62 2hqi n ALA 16 Ca 0.30 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.59 2hqi n ALA 16 Cb 1.61 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 20.96 2hqi n ALA 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2hqi h PRO 18 N -0.28 0.00 -0.87 0.00 0.14 -1.88 -0.91 132.00 128.20 2hqi h PRO 18 Ca -0.04 0.00 0.25 0.00 0.14 0.00 0.00 66.00 66.35 2hqi h PRO 18 Cb 1.09 0.00 -0.03 0.00 0.14 0.00 0.00 31.00 32.20 2hqi h PRO 18 CO 0.08 0.11 0.76 0.82 0.14 0.00 0.00 178.00 179.91 2hqi h ILE 19 N 0.00 0.32 0.11 -3.56 1.08 -1.85 0.22 117.51 113.83 2hqi h ILE 19 Ca -0.00 0.00 -0.35 0.00 -0.39 0.00 0.00 64.86 64.12 2hqi h ILE 19 Cb 0.20 0.43 -0.02 0.00 -3.07 0.00 0.00 36.82 34.35 2hqi h ILE 19 CO 0.01 0.00 -1.93 0.35 -0.69 0.00 0.00 178.15 175.89 2hqi n THR 20 N -3.84 1.76 -0.29 -0.27 -2.24 -0.36 -4.09 114.28 104.94 2hqi n THR 20 Ca 0.18 -0.59 0.09 0.00 -2.27 0.00 0.00 64.05 61.46 2hqi n THR 20 Cb 1.06 -1.76 0.22 0.00 -2.10 0.00 0.00 70.33 67.75 2hqi n THR 20 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 2hqi h VAL 21 N -0.04 0.24 -0.04 2.28 2.07 -0.44 0.48 116.25 120.80 2hqi h VAL 21 Ca -0.42 -0.03 0.01 0.00 0.82 0.00 0.00 66.70 67.07 2hqi h VAL 21 Cb 1.96 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 31.85 2hqi h VAL 21 CO 0.06 0.02 -0.08 0.50 0.02 0.00 0.00 177.57 178.08 2hqi h LYS 22 N 0.10 -0.07 -0.71 1.57 3.11 -1.58 -0.47 116.57 118.52 2hqi h LYS 22 Ca 0.50 0.00 0.13 0.00 -2.81 0.00 0.00 60.65 58.47 2hqi h LYS 22 Cb 0.95 0.02 -0.09 0.00 -1.00 0.00 0.00 32.23 32.10 2hqi h LYS 22 CO -0.74 -0.05 0.26 0.87 -2.81 0.00 0.00 179.45 176.98 2hqi h LYS 23 N -0.08 0.39 -0.99 1.90 1.57 -1.37 -0.58 116.57 117.41 2hqi h LYS 23 Ca 0.01 -0.02 0.22 0.00 -1.87 0.00 0.00 60.65 58.98 2hqi h LYS 23 Cb 0.10 -0.09 -0.19 0.00 0.08 0.00 0.00 32.23 32.13 2hqi h LYS 23 CO -0.08 0.26 -0.17 0.00 -0.57 0.00 0.00 179.45 178.89 2hqi h ALA 24 N 1.52 0.80 0.54 3.86 0.00 0.15 2.31 119.26 128.44 2hqi h ALA 24 Ca 0.38 0.37 -0.03 0.00 0.00 0.00 0.00 54.91 55.64 2hqi h ALA 24 Cb 0.56 0.71 0.01 0.00 0.00 0.00 0.00 17.79 19.06 2hqi h ALA 24 CO -0.39 -0.44 -0.26 -0.07 0.00 0.00 0.00 179.25 178.09 2hqi h LEU 25 N 0.00 -0.62 0.00 0.00 3.38 -0.09 -1.99 115.31 116.00 2hqi h LEU 25 Ca 0.51 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.50 2hqi h LEU 25 Cb 0.87 0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.78 2hqi h LEU 25 CO -1.00 -0.38 0.00 -0.24 0.09 0.00 0.00 178.44 176.91 2hqi n SER 26 N -4.29 0.00 -0.06 -0.43 2.88 -0.33 -2.88 113.62 108.50 2hqi n SER 26 Ca -0.09 -1.19 -0.05 0.00 -1.33 0.00 0.00 58.87 56.20 2hqi n SER 26 Cb 0.29 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.64 2hqi n SER 26 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 2hqi n LYS 27 N -0.56 1.76 0.00 -1.46 -0.00 0.77 -4.84 118.16 113.83 2hqi n LYS 27 Ca 0.02 -0.02 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 2hqi n LYS 27 Cb 0.01 -1.33 0.00 0.00 -0.00 0.00 0.00 35.03 33.71 2hqi n LYS 27 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 2hqi n VAL 28 N -2.43 0.00 -2.65 0.58 0.31 -0.78 -5.00 118.33 108.36 2hqi n VAL 28 Ca -0.19 0.00 -0.27 0.00 -0.01 0.00 0.00 64.34 63.87 2hqi n VAL 28 Cb 0.87 -1.60 0.01 0.00 -0.91 0.00 0.00 33.84 32.21 2hqi n VAL 28 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 2hqi s GLU 29 N 0.00 3.38 0.00 5.55 8.01 -1.26 -4.07 118.70 130.31 2hqi s GLU 29 Ca 0.00 0.08 0.00 0.00 0.01 0.00 0.00 54.97 55.06 2hqi s GLU 29 Cb 0.00 -2.38 0.00 0.00 -4.31 0.00 0.00 34.13 27.44 2hqi s GLU 29 CO 0.00 -0.30 0.00 0.41 0.01 0.00 0.00 175.26 175.38 2hqi n GLY 30 N -2.29 2.05 3.05 -1.39 0.00 -1.25 -4.61 105.19 100.75 2hqi n GLY 30 Ca 0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 2hqi n GLY 30 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2hqi n VAL 31 N -2.00 0.02 0.01 1.61 0.31 -1.26 0.20 118.33 117.22 2hqi n VAL 31 Ca 0.00 -0.47 0.00 0.00 -0.01 0.00 0.00 64.34 63.86 2hqi n VAL 31 Cb 0.00 -0.06 0.00 0.00 -0.91 0.00 0.00 33.84 32.87 2hqi n VAL 31 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 2hqi n SER 32 N 3.02 -0.26 -3.97 4.52 2.88 -0.89 -4.50 113.62 114.42 2hqi n SER 32 Ca -0.01 0.07 -0.13 0.00 -1.33 0.00 0.00 58.87 57.48 2hqi n SER 32 Cb 0.55 0.52 -0.09 0.00 -0.75 0.00 0.00 64.21 64.45 2hqi n SER 32 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 2hqi s LYS 33 N -2.00 1.38 -0.12 -1.46 2.20 0.86 -4.96 119.74 115.64 2hqi s LYS 33 Ca 0.00 -1.66 -0.29 0.00 -0.36 0.00 0.00 55.97 53.66 2hqi s LYS 33 Cb 0.00 0.31 0.07 0.00 -1.51 0.00 0.00 37.83 36.70 2hqi s LYS 33 CO 0.00 -0.49 0.69 0.54 -0.36 0.00 0.00 175.35 175.73 2hqi s VAL 34 N -3.95 0.00 -0.41 4.02 0.11 -1.26 -2.42 120.40 116.49 2hqi s VAL 34 Ca 0.37 -0.00 0.03 0.00 -2.93 0.00 0.00 61.98 59.44 2hqi s VAL 34 Cb 0.05 -0.99 0.19 0.00 -1.53 0.00 0.00 36.38 34.09 2hqi s VAL 34 CO 0.15 -0.00 0.78 -1.81 -3.33 0.00 0.00 175.10 170.89 2hqi s ASP 35 N -0.67 -1.15 0.05 3.54 1.01 0.61 -4.90 116.67 115.15 2hqi s ASP 35 Ca -0.07 -0.83 -0.06 0.00 0.71 0.00 0.00 52.55 52.29 2hqi s ASP 35 Cb -0.02 1.48 -0.01 0.00 1.01 0.00 0.00 42.92 45.38 2hqi s ASP 35 CO 0.07 -0.10 0.12 -0.69 0.21 0.00 0.00 175.17 174.78 2hqi s VAL 36 N 1.57 0.14 -0.02 -1.27 1.01 -1.23 0.26 120.40 120.86 2hqi s VAL 36 Ca 0.20 -1.14 -0.29 0.00 0.00 0.00 0.00 61.98 60.75 2hqi s VAL 36 Cb 0.00 -1.03 0.10 0.00 0.00 0.00 0.00 36.38 35.46 2hqi s VAL 36 CO -0.09 -0.63 0.89 -0.83 0.00 0.00 0.00 175.10 174.45 2hqi s GLY 37 N -2.31 -0.46 0.06 4.51 0.00 -0.39 -4.77 107.32 103.96 2hqi s GLY 37 Ca -0.02 1.08 0.23 0.00 0.00 0.00 0.00 44.72 46.00 2hqi s GLY 37 CO -0.06 0.38 0.96 0.33 0.00 0.00 0.00 173.10 174.71 2hqi n PHE 38 N -0.18 0.32 -0.67 1.90 -0.00 -1.26 -2.94 117.46 114.63 2hqi n PHE 38 Ca -0.09 0.09 0.51 0.00 -0.00 0.00 0.00 57.45 57.96 2hqi n PHE 38 Cb 0.61 -0.50 0.78 0.00 -0.00 0.00 0.00 39.48 40.38 2hqi n PHE 38 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.76 177.15 2hqi n GLU 39 N -2.07 -0.00 0.00 -4.13 4.71 -1.26 -4.09 120.64 113.79 2hqi n GLU 39 Ca 0.01 1.07 0.00 0.00 -0.01 0.00 0.00 57.16 58.23 2hqi n GLU 39 Cb 0.46 -2.42 0.00 0.00 -1.01 0.00 0.00 31.44 28.47 2hqi n GLU 39 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 2hqi n LYS 40 N -3.94 0.00 0.00 3.49 4.76 -1.26 -5.07 118.16 116.14 2hqi n LYS 40 Ca 0.43 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.87 2hqi n LYS 40 Cb 1.92 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 35.11 2hqi n LYS 40 CO 0.00 0.00 0.00 2.89 -1.37 0.00 0.00 177.40 178.92 2hqi n ARG 41 N -0.74 0.00 -4.05 1.97 0.00 -1.25 -4.10 116.66 108.49 2hqi n ARG 41 Ca 0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 57.85 57.68 2hqi n ARG 41 Cb 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 32.46 32.30 2hqi n ARG 41 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 2hqi s GLU 42 N 0.00 0.44 -0.51 2.89 0.41 -1.15 -4.24 118.70 116.54 2hqi s GLU 42 Ca 0.00 -0.05 0.03 0.00 -0.41 0.00 0.00 54.97 54.54 2hqi s GLU 42 Cb 0.00 -0.50 0.13 0.00 -1.78 0.00 0.00 34.13 31.98 2hqi s GLU 42 CO 0.00 -0.04 0.27 0.00 -0.49 0.00 0.00 175.26 175.00 2hqi s ALA 43 N 0.57 2.98 -0.20 5.21 0.00 0.27 -1.26 121.76 129.33 2hqi s ALA 43 Ca -0.06 -3.10 -0.13 0.00 0.00 0.00 0.00 51.96 48.66 2hqi s ALA 43 Cb -0.09 -2.07 -0.05 0.00 0.00 0.00 0.00 23.12 20.91 2hqi s ALA 43 CO -0.01 -2.04 0.26 0.08 0.00 0.00 0.00 175.76 174.06 2hqi s VAL 44 N -0.18 5.31 0.23 0.00 1.01 0.74 0.29 120.40 127.80 2hqi s VAL 44 Ca 0.18 0.45 -0.20 0.00 0.00 0.00 0.00 61.98 62.41 2hqi s VAL 44 Cb -0.24 -3.60 0.03 0.00 0.00 0.00 0.00 36.38 32.57 2hqi s VAL 44 CO -0.01 0.35 0.62 0.68 0.00 0.00 0.00 175.10 176.74 2hqi s VAL 45 N 0.81 0.01 -0.36 2.92 -7.23 -1.00 0.22 120.40 115.77 2hqi s VAL 45 Ca 0.14 -0.82 0.00 0.00 -1.81 0.00 0.00 61.98 59.49 2hqi s VAL 45 Cb -0.13 -1.74 0.12 0.00 0.56 0.00 0.00 36.38 35.19 2hqi s VAL 45 CO 0.04 -0.03 0.16 -0.89 -0.31 0.00 0.00 175.10 174.07 2hqi s THR 46 N -3.89 0.90 0.17 5.32 2.01 -1.02 -2.22 115.64 116.91 2hqi s THR 46 Ca 0.10 -1.81 0.01 0.00 0.31 0.00 0.00 61.69 60.30 2hqi s THR 46 Cb -0.03 -1.66 0.01 0.00 0.01 0.00 0.00 72.50 70.83 2hqi s THR 46 CO 0.01 -0.80 0.06 2.22 -0.69 0.00 0.00 174.62 175.42 2hqi n PHE 47 N 4.30 -0.29 -3.49 4.92 1.16 0.55 -0.10 117.46 124.51 2hqi n PHE 47 Ca 0.03 -0.79 -0.13 0.00 -1.87 0.00 0.00 57.45 54.69 2hqi n PHE 47 Cb 0.39 -0.13 -0.04 0.00 -1.61 0.00 0.00 39.48 38.09 2hqi n PHE 47 CO 0.00 0.00 0.00 0.16 -1.87 0.00 0.00 176.76 175.05 2hqi s ASP 48 N -1.97 -0.54 0.00 5.98 -4.77 0.52 0.25 116.67 116.14 2hqi s ASP 48 Ca 0.04 0.31 0.15 0.00 -3.30 0.00 0.00 52.55 49.75 2hqi s ASP 48 Cb -0.00 0.50 0.87 0.00 -1.09 0.00 0.00 42.92 43.20 2hqi s ASP 48 CO 0.03 -0.70 1.37 0.47 0.70 0.00 0.00 175.17 177.03 2hqi n ASP 49 N 0.25 0.00 -0.46 2.11 8.00 -1.26 -3.62 116.55 121.56 2hqi n ASP 49 Ca -0.15 -0.99 0.42 0.00 0.71 0.00 0.00 54.79 54.78 2hqi n ASP 49 Cb 0.61 0.00 0.78 0.00 -0.02 0.00 0.00 41.12 42.48 2hqi n ASP 49 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 2hqi h THR 50 N 0.00 0.25 0.00 -3.53 2.02 -1.92 -2.57 112.91 107.17 2hqi h THR 50 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 2hqi h THR 50 Cb 0.00 0.25 0.00 0.00 -1.74 0.00 0.00 68.15 66.66 2hqi h THR 50 CO 0.00 0.00 -0.10 1.17 0.37 0.00 0.00 175.52 176.96 2hqi n LYS 51 N -4.07 0.00 0.00 6.66 4.81 -1.25 -5.06 118.16 119.26 2hqi n LYS 51 Ca 0.33 -0.38 0.00 0.00 -0.87 0.00 0.00 58.31 57.38 2hqi n LYS 51 Cb 1.54 -0.28 0.00 0.00 0.02 0.00 0.00 35.03 36.31 2hqi n LYS 51 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2hqi n ALA 52 N 0.00 0.00 -3.69 3.14 0.00 -0.97 -4.53 120.51 114.46 2hqi n ALA 52 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 2hqi n ALA 52 Cb 0.54 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.97 2hqi n ALA 52 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2hqi s SER 53 N 1.72 -0.33 0.02 0.00 0.15 -1.26 -4.08 113.70 109.92 2hqi s SER 53 Ca 0.00 -0.35 -0.25 0.00 0.70 0.00 0.00 55.95 56.04 2hqi s SER 53 Cb 0.00 0.61 -0.17 0.00 -1.71 0.00 0.00 66.02 64.75 2hqi s SER 53 CO 0.00 -1.08 1.34 0.58 1.20 0.00 0.00 173.24 175.27 2hqi h VAL 54 N 2.00 0.84 -0.96 4.45 2.07 -1.94 -1.82 116.25 120.89 2hqi h VAL 54 Ca -0.24 -0.58 0.07 0.00 0.82 0.00 0.00 66.70 66.77 2hqi h VAL 54 Cb 1.26 1.17 -0.07 0.00 -1.52 0.00 0.00 31.29 32.14 2hqi h VAL 54 CO 0.28 0.12 0.62 -0.61 0.02 0.00 0.00 177.57 178.00 2hqi h GLN 55 N -0.61 1.05 0.51 1.57 4.15 -1.97 -0.30 115.11 119.51 2hqi h GLN 55 Ca -0.03 -0.06 -0.01 0.00 0.77 0.00 0.00 58.65 59.31 2hqi h GLN 55 Cb 0.44 -0.24 -0.02 0.00 0.21 0.00 0.00 27.48 27.88 2hqi h GLN 55 CO 0.05 0.70 -0.43 0.87 -1.93 0.00 0.00 178.83 178.09 2hqi h LYS 56 N 1.08 -0.89 0.34 1.69 1.79 -1.90 2.23 116.57 120.91 2hqi h LYS 56 Ca 0.42 0.06 -0.01 0.00 -2.18 0.00 0.00 60.65 58.94 2hqi h LYS 56 Cb 0.22 0.20 -0.01 0.00 -1.58 0.00 0.00 32.23 31.07 2hqi h LYS 56 CO -0.17 -0.59 -0.25 -0.07 -1.08 0.00 0.00 179.45 177.28 2hqi h LEU 57 N -0.92 -0.67 -0.77 2.94 3.38 -0.82 0.11 115.31 118.56 2hqi h LEU 57 Ca -0.06 0.04 0.14 0.00 0.09 0.00 0.00 57.88 58.10 2hqi h LEU 57 Cb 0.79 0.21 -0.09 0.00 0.09 0.00 0.00 40.66 41.66 2hqi h LEU 57 CO -0.02 -0.36 0.33 0.71 0.09 0.00 0.00 178.44 179.20 2hqi h THR 58 N -0.57 0.69 0.02 0.22 1.35 -1.04 0.19 112.91 113.78 2hqi h THR 58 Ca -0.04 -0.17 0.02 0.00 -0.55 0.00 0.00 66.41 65.67 2hqi h THR 58 Cb 0.47 0.15 -0.04 0.00 -1.73 0.00 0.00 68.15 67.00 2hqi h THR 58 CO 0.01 0.09 -0.20 0.50 -0.25 0.00 0.00 175.52 175.68 2hqi h LYS 59 N 0.49 -0.32 0.00 4.72 3.64 0.41 0.85 116.57 126.36 2hqi h LYS 59 Ca 0.42 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.81 2hqi h LYS 59 Cb 0.61 0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.51 2hqi h LYS 59 CO -0.38 -0.21 -0.06 0.00 -2.27 0.00 0.00 179.45 176.52 2hqi h ALA 60 N 0.55 1.83 0.03 5.00 0.00 0.50 -0.57 119.26 126.60 2hqi h ALA 60 Ca 0.05 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2hqi h ALA 60 Cb 0.39 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2hqi h ALA 60 CO -0.17 0.08 -0.01 1.79 0.00 0.00 0.00 179.25 180.94 2hqi h THR 61 N 0.00 1.40 0.00 0.00 1.35 0.16 -2.97 112.91 112.86 2hqi h THR 61 Ca -0.00 -1.47 0.00 0.00 -0.55 0.00 0.00 66.41 64.38 2hqi h THR 61 Cb 0.12 2.37 0.00 0.00 -1.73 0.00 0.00 68.15 68.91 2hqi h THR 61 CO 0.01 0.37 0.00 0.00 -0.25 0.00 0.00 175.52 175.65 2hqi n ALA 62 N -2.46 1.42 1.48 6.62 0.00 0.27 -1.38 120.51 126.46 2hqi n ALA 62 Ca -0.09 0.01 0.14 0.00 0.00 0.00 0.00 53.44 53.50 2hqi n ALA 62 Cb 0.31 -1.20 0.51 0.00 0.00 0.00 0.00 19.45 19.08 2hqi n ALA 62 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2hqi n ASP 63 N -1.69 1.53 -0.06 0.00 8.00 -0.26 -3.75 116.55 120.31 2hqi n ASP 63 Ca 0.02 -1.52 0.01 0.00 0.71 0.00 0.00 54.79 54.01 2hqi n ASP 63 Cb 0.12 -0.00 0.02 0.00 -0.02 0.00 0.00 41.12 41.23 2hqi n ASP 63 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2hqi n ALA 64 N 0.20 2.02 0.00 2.24 0.00 -0.48 -4.96 120.51 119.53 2hqi n ALA 64 Ca 0.19 -1.01 0.00 0.00 0.00 0.00 0.00 53.44 52.62 2hqi n ALA 64 Cb 0.36 -0.04 0.00 0.00 0.00 0.00 0.00 19.45 19.76 2hqi n ALA 64 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2hqi n GLY 65 N -0.39 2.85 3.24 0.00 0.00 -1.23 -4.96 105.19 104.69 2hqi n GLY 65 Ca 0.01 -0.24 -0.37 0.00 0.00 0.00 0.00 46.02 45.42 2hqi n GLY 65 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2hqi s TYR 66 N -1.92 3.26 0.00 1.61 2.02 -1.20 -4.90 117.35 116.22 2hqi s TYR 66 Ca 0.00 -1.56 0.00 0.00 -0.37 0.00 0.00 57.07 55.14 2hqi s TYR 66 Cb 0.00 -2.24 0.00 0.00 -0.40 0.00 0.00 41.96 39.32 2hqi s TYR 66 CO 0.00 -0.75 0.00 -2.30 -1.57 0.00 0.00 175.55 170.93 2hqi n PRO 67 N 4.75 3.51 -2.04 -1.71 -0.02 -1.20 -3.56 135.00 134.73 2hqi n PRO 67 Ca -0.13 0.00 -0.03 0.00 -2.02 0.00 0.00 63.50 61.32 2hqi n PRO 67 Cb 0.44 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.93 2hqi n PRO 67 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2hqi n SER 68 N 0.00 -0.67 -3.53 2.55 2.88 -1.26 -4.03 113.62 109.56 2hqi n SER 68 Ca 0.00 -1.55 -0.08 0.00 -1.33 0.00 0.00 58.87 55.91 2hqi n SER 68 Cb 0.00 1.14 -0.02 0.00 -0.75 0.00 0.00 64.21 64.58 2hqi n SER 68 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2hqi s SER 69 N -1.69 -0.36 0.33 -3.46 0.15 0.75 -4.82 113.70 104.59 2hqi s SER 69 Ca 0.06 -0.05 -0.17 0.00 0.70 0.00 0.00 55.95 56.49 2hqi s SER 69 Cb -0.01 0.42 -0.09 0.00 -1.71 0.00 0.00 66.02 64.63 2hqi s SER 69 CO 0.05 -0.70 0.78 -0.69 1.20 0.00 0.00 173.24 173.88 2hqi s VAL 70 N -3.21 4.60 0.14 4.45 1.01 -1.26 0.25 120.40 126.38 2hqi s VAL 70 Ca 0.06 1.11 -0.23 0.00 0.00 0.00 0.00 61.98 62.92 2hqi s VAL 70 Cb -0.01 -3.65 0.06 0.00 0.00 0.00 0.00 36.38 32.78 2hqi s VAL 70 CO -0.08 -0.15 0.57 -0.54 0.00 0.00 0.00 175.10 174.91 2hqi s LYS 71 N -2.85 1.23 0.00 2.72 1.02 0.73 -4.23 119.74 118.35 2hqi s LYS 71 Ca 0.54 -0.45 0.00 0.00 0.02 0.00 0.00 55.97 56.08 2hqi s LYS 71 Cb -0.11 0.56 0.00 0.00 -0.52 0.00 0.00 37.83 37.76 2hqi s LYS 71 CO 0.17 -0.52 0.27 0.94 -0.92 0.00 0.00 175.35 175.29