#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 0.08 -3.53 0.00 5.66 -1.26 -4.53 114.28 110.69 2hqi n THR 2 Ca 0.00 -0.01 -0.14 0.00 -3.05 0.00 0.00 64.05 60.85 2hqi n THR 2 Cb 0.00 -0.63 -0.04 0.00 -1.55 0.00 0.00 70.33 68.11 2hqi n THR 2 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 175.07 170.92 2hqi s GLN 3 N 1.73 1.10 -0.28 1.09 -0.21 0.55 -4.74 119.66 118.90 2hqi s GLN 3 Ca 0.95 -0.29 0.01 0.00 0.02 0.00 0.00 55.36 56.05 2hqi s GLN 3 Cb -1.20 0.51 0.08 0.00 1.00 0.00 0.00 33.01 33.40 2hqi s GLN 3 CO 0.63 -0.42 0.02 -0.08 -2.12 0.00 0.00 175.29 173.31 2hqi s THR 4 N -2.77 1.56 0.00 -0.19 -1.32 -1.26 -0.19 115.64 111.47 2hqi s THR 4 Ca -0.03 -1.57 0.00 0.00 -1.21 0.00 0.00 61.69 58.87 2hqi s THR 4 Cb -0.00 -2.00 0.00 0.00 -1.51 0.00 0.00 72.50 68.98 2hqi s THR 4 CO -0.04 -0.39 0.00 1.33 -2.21 0.00 0.00 174.62 173.31 2hqi n VAL 5 N 4.60 0.00 -3.10 5.08 0.24 -0.84 -4.94 118.33 119.37 2hqi n VAL 5 Ca -0.05 0.00 -0.34 0.00 -2.04 0.00 0.00 64.34 61.91 2hqi n VAL 5 Cb 0.43 0.00 -0.06 0.00 -1.47 0.00 0.00 33.84 32.74 2hqi n VAL 5 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 2hqi s THR 6 N -2.98 4.62 -0.03 3.34 2.01 -0.36 -1.40 115.64 120.85 2hqi s THR 6 Ca 0.00 1.10 0.04 0.00 0.31 0.00 0.00 61.69 63.14 2hqi s THR 6 Cb 0.00 -3.70 -0.00 0.00 0.01 0.00 0.00 72.50 68.81 2hqi s THR 6 CO 0.00 -0.06 -0.14 -0.76 -0.69 0.00 0.00 174.62 172.97 2hqi s LEU 7 N -2.66 1.92 0.06 4.42 1.02 0.82 0.26 118.68 124.53 2hqi s LEU 7 Ca 0.51 -0.28 -0.26 0.00 0.02 0.00 0.00 54.13 54.12 2hqi s LEU 7 Cb -0.12 -0.79 -0.06 0.00 0.02 0.00 0.00 46.19 45.24 2hqi s LEU 7 CO 0.18 0.14 0.82 0.00 0.02 0.00 0.00 176.35 177.52 2hqi s ALA 8 N -0.05 3.33 -0.27 4.21 0.00 0.53 0.52 121.76 130.05 2hqi s ALA 8 Ca -0.00 0.37 0.02 0.00 0.00 0.00 0.00 51.96 52.35 2hqi s ALA 8 Cb -0.09 -3.08 0.07 0.00 0.00 0.00 0.00 23.12 20.02 2hqi s ALA 8 CO 0.01 0.04 -0.06 0.54 0.00 0.00 0.00 175.76 176.29 2hqi s VAL 9 N -0.03 1.92 0.00 0.00 0.11 -1.26 0.18 120.40 121.32 2hqi s VAL 9 Ca 0.41 -1.60 0.00 0.00 -2.93 0.00 0.00 61.98 57.86 2hqi s VAL 9 Cb -0.21 -2.16 0.00 0.00 -1.53 0.00 0.00 36.38 32.48 2hqi s VAL 9 CO 0.25 -0.16 0.00 -2.65 -3.33 0.00 0.00 175.10 169.21 2hqi n PRO 10 N 4.50 0.51 0.00 1.54 -0.02 -1.26 -4.23 135.00 136.04 2hqi n PRO 10 Ca -0.10 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.38 2hqi n PRO 10 Cb 0.43 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.91 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 2.21 5.54 -1.23 0.00 -1.26 -4.15 105.19 106.30 2hqi n GLY 11 Ca 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.56 2hqi n GLY 11 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2hqi n MET 12 N 0.00 0.00 0.00 1.61 2.81 -1.25 0.23 117.12 120.51 2hqi n MET 12 Ca 0.00 0.00 0.10 0.00 -1.81 0.00 0.00 57.70 55.99 2hqi n MET 12 Cb 0.00 0.00 0.07 0.00 -0.71 0.00 0.00 33.22 32.58 2hqi n MET 12 CO 0.00 0.00 0.00 -2.37 1.51 0.00 0.00 175.97 175.11 2hqi n THR 13 N 0.00 0.00 -0.91 2.03 5.66 -1.26 -4.68 114.28 115.12 2hqi n THR 13 Ca 0.00 -0.47 -0.36 0.00 -3.05 0.00 0.00 64.05 60.17 2hqi n THR 13 Cb 0.00 1.39 0.07 0.00 -1.55 0.00 0.00 70.33 70.24 2hqi n THR 13 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2hqi n ALA 15 N -3.43 3.59 -2.96 0.00 0.00 -1.26 -4.00 120.51 112.44 2hqi n ALA 15 Ca -0.00 -1.40 -0.11 0.00 0.00 0.00 0.00 53.44 51.92 2hqi n ALA 15 Cb 0.65 -2.85 0.04 0.00 0.00 0.00 0.00 19.45 17.29 2hqi n ALA 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2hqi n ALA 16 N 4.47 -0.75 0.00 0.00 0.00 -1.26 -4.95 120.51 118.02 2hqi n ALA 16 Ca 0.31 0.14 -0.20 0.00 0.00 0.00 0.00 53.44 53.70 2hqi n ALA 16 Cb 0.09 -2.61 -0.14 0.00 0.00 0.00 0.00 19.45 16.79 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 -0.52 0.00 -0.82 0.00 0.14 -1.89 -0.27 132.00 128.64 2hqi h PRO 18 Ca -0.18 0.00 0.24 0.00 0.14 0.00 0.00 66.00 66.19 2hqi h PRO 18 Cb 1.53 0.00 -0.03 0.00 0.14 0.00 0.00 31.00 32.64 2hqi h PRO 18 CO 0.07 0.07 0.61 0.82 0.14 0.00 0.00 178.00 179.71 2hqi h ILE 19 N 0.00 0.54 0.15 -3.56 2.04 -1.87 0.16 117.51 114.96 2hqi h ILE 19 Ca -0.00 0.00 -0.35 0.00 1.00 0.00 0.00 64.86 65.50 2hqi h ILE 19 Cb 0.16 0.57 -0.01 0.00 -0.74 0.00 0.00 36.82 36.80 2hqi h ILE 19 CO 0.01 0.00 -1.87 0.71 0.00 0.00 0.00 178.15 177.00 2hqi h THR 20 N 0.00 0.78 -0.72 -0.27 1.35 -1.22 -3.36 112.91 109.47 2hqi h THR 20 Ca 0.39 -2.44 0.14 0.00 -0.55 0.00 0.00 66.41 63.95 2hqi h THR 20 Cb 1.61 2.62 -0.14 0.00 -1.73 0.00 0.00 68.15 70.52 2hqi h THR 20 CO -0.00 0.87 -0.21 0.58 -0.25 0.00 0.00 175.52 176.51 2hqi h VAL 21 N 0.08 0.25 -0.47 6.82 2.07 -0.47 0.48 116.25 125.01 2hqi h VAL 21 Ca -0.38 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.19 2hqi h VAL 21 Cb 2.06 0.25 -0.07 0.00 -1.52 0.00 0.00 31.29 32.00 2hqi h VAL 21 CO 0.13 0.00 -0.45 0.50 0.02 0.00 0.00 177.57 177.77 2hqi h LYS 22 N -0.02 -0.20 -0.35 1.57 3.64 -1.54 0.85 116.57 120.52 2hqi h LYS 22 Ca 0.34 0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.78 2hqi h LYS 22 Cb 0.54 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.39 2hqi h LYS 22 CO -0.75 -0.14 0.24 -0.22 -2.27 0.00 0.00 179.45 176.31 2hqi h LYS 23 N -0.21 0.22 -0.35 1.90 1.63 -1.11 -1.92 116.57 116.73 2hqi h LYS 23 Ca 0.08 -0.01 0.08 0.00 -0.85 0.00 0.00 60.65 59.94 2hqi h LYS 23 Cb 0.42 -0.05 -0.08 0.00 -0.60 0.00 0.00 32.23 31.92 2hqi h LYS 23 CO -0.56 0.15 -0.19 0.00 -3.45 0.00 0.00 179.45 175.40 2hqi h ALA 24 N 1.82 0.07 -1.07 5.00 0.00 0.53 2.35 119.26 127.97 2hqi h ALA 24 Ca 0.15 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.19 2hqi h ALA 24 Cb 0.32 0.44 0.00 0.00 0.00 0.00 0.00 17.79 18.55 2hqi h ALA 24 CO -0.03 -0.57 0.00 1.28 0.00 0.00 0.00 179.25 179.94 2hqi n LEU 25 N -5.36 0.28 0.32 0.00 4.77 -0.74 -1.33 117.00 114.94 2hqi n LEU 25 Ca 0.01 0.69 0.07 0.00 -0.03 0.00 0.00 56.01 56.75 2hqi n LEU 25 Cb 0.27 -0.32 0.36 0.00 -2.33 0.00 0.00 43.42 41.40 2hqi n LEU 25 CO 0.13 -0.32 1.06 0.77 -1.33 0.00 0.00 177.39 177.70 2hqi h SER 26 N 0.00 0.00 -0.01 -1.43 4.64 -1.40 2.13 113.55 117.48 2hqi h SER 26 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2hqi h SER 26 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2hqi h SER 26 CO 0.00 0.00 -0.17 2.29 -0.87 0.00 0.00 176.83 178.08 2hqi n LYS 27 N -2.68 1.81 -0.88 4.77 -0.00 0.79 -4.82 118.16 117.15 2hqi n LYS 27 Ca -0.00 -1.44 -0.04 0.00 -0.00 0.00 0.00 58.31 56.82 2hqi n LYS 27 Cb 0.75 -1.47 0.02 0.00 -0.00 0.00 0.00 35.03 34.33 2hqi n LYS 27 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.40 178.95 2hqi n VAL 28 N 0.66 0.00 -2.73 0.58 3.14 0.72 -4.99 118.33 115.71 2hqi n VAL 28 Ca 0.13 -0.27 -0.30 0.00 -2.96 0.00 0.00 64.34 60.94 2hqi n VAL 28 Cb 0.52 -1.38 -0.03 0.00 -1.06 0.00 0.00 33.84 31.89 2hqi n VAL 28 CO 0.00 0.00 0.00 -1.61 -6.46 0.00 0.00 176.83 168.76 2hqi s GLU 29 N -2.95 3.77 0.00 1.45 0.41 -1.26 -3.73 118.70 116.39 2hqi s GLU 29 Ca 0.12 0.52 0.00 0.00 -0.41 0.00 0.00 54.97 55.20 2hqi s GLU 29 Cb -0.01 -2.34 0.00 0.00 -1.78 0.00 0.00 34.13 30.00 2hqi s GLU 29 CO 0.08 -0.11 0.00 0.41 -0.49 0.00 0.00 175.26 175.15 2hqi n GLY 30 N -1.49 1.32 3.49 -1.39 0.00 -1.26 -4.55 105.19 101.31 2hqi n GLY 30 Ca 0.03 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.87 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 0.00 0.04 1.61 0.31 -1.24 0.16 118.33 117.20 2hqi n VAL 31 Ca 0.00 -0.49 -0.22 0.00 -0.01 0.00 0.00 64.34 63.62 2hqi n VAL 31 Cb 0.00 -0.64 -0.14 0.00 -0.91 0.00 0.00 33.84 32.14 2hqi n VAL 31 CO 0.00 0.00 0.00 -1.28 -1.32 0.00 0.00 176.83 174.23 2hqi h SER 32 N 11.41 0.48 -5.06 4.52 0.87 0.31 -3.47 113.55 122.61 2hqi h SER 32 Ca 0.02 -0.89 -0.05 0.00 -1.23 0.00 0.00 61.79 59.64 2hqi h SER 32 Cb 1.08 -0.16 -0.14 0.00 -0.44 0.00 0.00 62.40 62.75 2hqi h SER 32 CO 1.39 1.64 -0.04 -0.75 -0.53 0.00 0.00 176.83 178.54 2hqi s LYS 33 N -2.50 1.07 -0.14 2.24 2.20 -1.03 -4.97 119.74 116.60 2hqi s LYS 33 Ca -0.17 -0.59 -0.10 0.00 -0.36 0.00 0.00 55.97 54.75 2hqi s LYS 33 Cb 0.04 0.47 0.05 0.00 -1.51 0.00 0.00 37.83 36.88 2hqi s LYS 33 CO 0.81 -0.41 0.36 0.08 -0.36 0.00 0.00 175.35 175.83 2hqi s VAL 34 N -3.49 -0.02 -0.36 4.02 1.01 -1.26 -0.76 120.40 119.54 2hqi s VAL 34 Ca 0.01 0.07 0.01 0.00 0.00 0.00 0.00 61.98 62.06 2hqi s VAL 34 Cb 0.01 -0.53 0.15 0.00 0.00 0.00 0.00 36.38 36.01 2hqi s VAL 34 CO -0.10 0.03 0.26 -1.81 0.00 0.00 0.00 175.10 173.48 2hqi s ASP 35 N 0.89 2.43 0.08 3.32 1.01 0.77 -4.96 116.67 120.21 2hqi s ASP 35 Ca -0.06 -2.25 0.01 0.00 0.71 0.00 0.00 52.55 50.97 2hqi s ASP 35 Cb -0.06 -0.25 -0.04 0.00 1.01 0.00 0.00 42.92 43.58 2hqi s ASP 35 CO -0.07 -0.28 -0.06 -0.69 0.21 0.00 0.00 175.17 174.28 2hqi s VAL 36 N 0.95 0.57 -0.04 -1.27 1.01 -1.25 0.20 120.40 120.57 2hqi s VAL 36 Ca 0.20 -1.74 -0.29 0.00 0.00 0.00 0.00 61.98 60.15 2hqi s VAL 36 Cb -0.17 -1.43 0.11 0.00 0.00 0.00 0.00 36.38 34.88 2hqi s VAL 36 CO -0.03 -0.80 0.89 -0.83 0.00 0.00 0.00 175.10 174.33 2hqi s GLY 37 N -2.73 -0.43 0.02 4.51 0.00 -0.37 -4.77 107.32 103.55 2hqi s GLY 37 Ca 0.07 1.24 0.23 0.00 0.00 0.00 0.00 44.72 46.26 2hqi s GLY 37 CO -0.05 0.52 1.06 0.33 0.00 0.00 0.00 173.10 174.97 2hqi n PHE 38 N 0.04 0.13 -0.68 1.90 -0.00 -1.26 -2.98 117.46 114.61 2hqi n PHE 38 Ca -0.10 0.04 0.52 0.00 -0.00 0.00 0.00 57.45 57.91 2hqi n PHE 38 Cb 0.61 -0.29 0.82 0.00 -0.00 0.00 0.00 39.48 40.62 2hqi n PHE 38 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 176.76 177.69 2hqi h GLU 39 N 0.00 0.00 0.00 -4.13 4.39 -1.95 -3.37 114.58 109.53 2hqi h GLU 39 Ca 0.00 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2hqi h GLU 39 Cb 0.63 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.28 2hqi h GLU 39 CO 0.00 0.00 0.00 1.63 -1.16 0.00 0.00 179.01 179.48 2hqi n LYS 40 N -3.96 0.00 0.00 2.33 5.02 -1.26 -5.07 118.16 115.23 2hqi n LYS 40 Ca 0.43 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.72 2hqi n LYS 40 Cb 1.96 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 36.97 2hqi n LYS 40 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 2hqi n ARG 41 N -0.66 0.00 -3.81 1.97 1.85 -1.25 -3.92 116.66 110.84 2hqi n ARG 41 Ca 0.00 0.00 -0.13 0.00 -1.00 0.00 0.00 57.85 56.72 2hqi n ARG 41 Cb 0.00 0.00 -0.15 0.00 -1.05 0.00 0.00 32.46 31.26 2hqi n ARG 41 CO 0.00 0.00 0.00 -1.21 -0.01 0.00 0.00 177.63 176.41 2hqi s GLU 42 N 0.00 0.00 -0.46 2.89 2.02 -1.16 -4.29 118.70 117.71 2hqi s GLU 42 Ca 0.00 0.13 0.03 0.00 0.02 0.00 0.00 54.97 55.15 2hqi s GLU 42 Cb 0.00 -0.12 0.14 0.00 0.10 0.00 0.00 34.13 34.25 2hqi s GLU 42 CO 0.00 -0.09 0.26 0.00 0.02 0.00 0.00 175.26 175.45 2hqi s ALA 43 N 0.58 2.34 -0.17 5.21 0.00 0.19 -1.23 121.76 128.68 2hqi s ALA 43 Ca -0.05 -2.74 -0.25 0.00 0.00 0.00 0.00 51.96 48.93 2hqi s ALA 43 Cb -0.07 -1.92 -0.02 0.00 0.00 0.00 0.00 23.12 21.12 2hqi s ALA 43 CO -0.02 -2.06 0.80 0.08 0.00 0.00 0.00 175.76 174.57 2hqi s VAL 44 N 0.15 4.90 0.17 0.00 1.01 0.52 0.29 120.40 127.44 2hqi s VAL 44 Ca 0.19 1.58 -0.21 0.00 0.00 0.00 0.00 61.98 63.53 2hqi s VAL 44 Cb -0.22 -4.11 0.06 0.00 0.00 0.00 0.00 36.38 32.11 2hqi s VAL 44 CO -0.02 0.05 0.57 0.68 0.00 0.00 0.00 175.10 176.38 2hqi s VAL 45 N 2.04 0.01 -0.28 2.92 -7.23 -0.49 0.27 120.40 117.64 2hqi s VAL 45 Ca 0.37 -0.25 -0.00 0.00 -1.81 0.00 0.00 61.98 60.30 2hqi s VAL 45 Cb -0.17 -1.17 0.09 0.00 0.56 0.00 0.00 36.38 35.69 2hqi s VAL 45 CO 0.13 -0.06 0.05 0.28 -0.31 0.00 0.00 175.10 175.19 2hqi s THR 46 N -3.78 1.14 -0.34 5.32 -1.32 0.06 -1.98 115.64 114.74 2hqi s THR 46 Ca 0.03 -1.37 -0.14 0.00 -1.21 0.00 0.00 61.69 59.00 2hqi s THR 46 Cb -0.01 -1.74 -0.02 0.00 -1.51 0.00 0.00 72.50 69.23 2hqi s THR 46 CO -0.10 -0.49 0.30 0.72 -2.21 0.00 0.00 174.62 172.84 2hqi s PHE 47 N 1.51 3.22 -0.72 9.09 -0.71 0.74 0.10 117.98 131.21 2hqi s PHE 47 Ca 0.05 -0.12 -0.03 0.00 -1.04 0.00 0.00 56.93 55.79 2hqi s PHE 47 Cb -0.18 -2.56 0.22 0.00 -1.21 0.00 0.00 43.02 39.28 2hqi s PHE 47 CO -0.17 -0.39 2.35 -0.40 -1.34 0.00 0.00 175.22 175.27 2hqi n ASP 48 N 5.23 7.11 -1.93 1.98 5.75 0.41 0.21 116.55 135.31 2hqi n ASP 48 Ca -0.11 -3.53 -0.01 0.00 -0.01 0.00 0.00 54.79 51.13 2hqi n ASP 48 Cb 0.50 -1.16 -0.00 0.00 -1.03 0.00 0.00 41.12 39.42 2hqi n ASP 48 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 2hqi n ASP 49 N 0.20 -0.70 0.25 -1.12 2.03 -1.26 -4.51 116.55 111.43 2hqi n ASP 49 Ca 0.52 0.29 0.16 0.00 0.52 0.00 0.00 54.79 56.28 2hqi n ASP 49 Cb 0.37 -0.70 0.84 0.00 -0.72 0.00 0.00 41.12 40.91 2hqi n ASP 49 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 2hqi h THR 50 N -0.02 0.00 0.00 5.18 2.02 -1.82 -3.31 112.91 114.96 2hqi h THR 50 Ca -0.02 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.16 2hqi h THR 50 Cb 0.69 0.68 0.00 0.00 -1.74 0.00 0.00 68.15 67.78 2hqi h THR 50 CO 0.02 0.00 0.00 0.29 0.37 0.00 0.00 175.52 176.20 2hqi n LYS 51 N -2.63 0.00 0.00 6.66 5.02 -1.26 -4.70 118.16 121.25 2hqi n LYS 51 Ca -0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.27 2hqi n LYS 51 Cb 0.13 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.14 2hqi n LYS 51 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2hqi n ALA 52 N 0.00 0.00 -3.89 7.82 0.00 -1.25 -4.82 120.51 118.38 2hqi n ALA 52 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 2hqi n ALA 52 Cb 0.29 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.73 2hqi n ALA 52 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2hqi n SER 53 N 0.00 -1.49 0.45 0.00 2.88 -1.26 -4.12 113.62 110.08 2hqi n SER 53 Ca 0.00 -2.66 -0.19 0.00 -1.33 0.00 0.00 58.87 54.69 2hqi n SER 53 Cb 0.00 2.66 -0.09 0.00 -0.75 0.00 0.00 64.21 66.03 2hqi n SER 53 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 2hqi h VAL 54 N 1.93 0.00 -0.54 2.46 2.07 -1.94 0.81 116.25 121.04 2hqi h VAL 54 Ca -0.27 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.35 2hqi h VAL 54 Cb 1.10 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.84 2hqi h VAL 54 CO 0.35 0.00 0.37 1.56 0.02 0.00 0.00 177.57 179.87 2hqi h GLN 55 N -1.18 0.33 0.18 1.57 1.08 -1.97 0.79 115.11 115.91 2hqi h GLN 55 Ca -0.12 -0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 57.06 2hqi h GLN 55 Cb 0.92 -0.08 0.00 0.00 -0.05 0.00 0.00 27.48 28.28 2hqi h GLN 55 CO 0.16 0.22 -0.09 0.87 -0.95 0.00 0.00 178.83 179.05 2hqi h LYS 56 N 0.34 -0.24 0.08 1.46 1.57 -1.83 -0.51 116.57 117.45 2hqi h LYS 56 Ca 0.25 0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 59.04 2hqi h LYS 56 Cb 0.53 0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.89 2hqi h LYS 56 CO -0.06 0.16 -0.04 1.37 -0.57 0.00 0.00 179.45 180.32 2hqi h LEU 57 N -0.88 -0.09 -0.24 2.94 8.10 0.11 -2.67 115.31 122.58 2hqi h LEU 57 Ca -0.03 -0.15 0.06 0.00 0.11 0.00 0.00 57.88 57.87 2hqi h LEU 57 Cb 0.51 0.02 -0.06 0.00 -0.44 0.00 0.00 40.66 40.70 2hqi h LEU 57 CO 0.04 0.10 -0.12 0.71 -4.11 0.00 0.00 178.44 175.06 2hqi h THR 58 N -0.28 0.62 -0.59 0.15 1.35 0.48 -0.94 112.91 113.70 2hqi h THR 58 Ca -0.01 0.00 0.11 0.00 -0.55 0.00 0.00 66.41 65.96 2hqi h THR 58 Cb 0.24 0.62 -0.12 0.00 -1.73 0.00 0.00 68.15 67.17 2hqi h THR 58 CO 0.02 0.00 -0.26 0.11 -0.25 0.00 0.00 175.52 175.14 2hqi h LYS 59 N -0.09 -0.10 -0.90 4.72 1.79 -0.94 0.61 116.57 121.66 2hqi h LYS 59 Ca 0.13 0.01 0.03 0.00 -2.18 0.00 0.00 60.65 58.64 2hqi h LYS 59 Cb 0.29 0.02 -0.05 0.00 -1.58 0.00 0.00 32.23 30.91 2hqi h LYS 59 CO -0.30 -0.07 0.58 0.00 -1.08 0.00 0.00 179.45 178.58 2hqi h ALA 60 N 1.26 1.19 -0.02 3.86 0.00 -0.99 -0.99 119.26 123.58 2hqi h ALA 60 Ca 0.26 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 2hqi h ALA 60 Cb 0.52 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 2hqi h ALA 60 CO -0.66 0.44 0.01 1.79 0.00 0.00 0.00 179.25 180.83 2hqi h THR 61 N 1.14 1.15 0.00 0.00 1.35 0.10 -1.68 112.91 114.97 2hqi h THR 61 Ca 0.36 -0.45 0.00 0.00 -0.55 0.00 0.00 66.41 65.77 2hqi h THR 61 Cb -0.00 1.43 0.00 0.00 -1.73 0.00 0.00 68.15 67.85 2hqi h THR 61 CO -0.12 0.12 0.00 0.00 -0.25 0.00 0.00 175.52 175.27 2hqi h ALA 62 N 0.82 1.00 -0.02 6.62 0.00 0.43 -0.07 119.26 128.04 2hqi h ALA 62 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2hqi h ALA 62 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2hqi h ALA 62 CO -0.00 0.00 0.00 -0.25 0.00 0.00 0.00 179.25 179.00 2hqi n ASP 63 N -2.30 0.80 -0.20 0.00 8.00 -0.42 -3.45 116.55 118.99 2hqi n ASP 63 Ca -0.01 -1.32 0.02 0.00 0.71 0.00 0.00 54.79 54.19 2hqi n ASP 63 Cb 0.09 -0.01 0.05 0.00 -0.02 0.00 0.00 41.12 41.22 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 -0.35 2.07 0.00 2.24 0.00 -0.04 -4.96 120.51 119.47 2hqi n ALA 64 Ca 0.20 -1.03 0.00 0.00 0.00 0.00 0.00 53.44 52.61 2hqi n ALA 64 Cb 0.23 -0.14 0.00 0.00 0.00 0.00 0.00 19.45 19.55 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 -0.17 2.79 3.26 0.00 0.00 -1.22 -4.96 105.19 104.89 2hqi n GLY 65 Ca 0.04 -0.23 -0.37 0.00 0.00 0.00 0.00 46.02 45.46 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 -1.76 3.21 0.00 1.61 2.02 -1.23 -4.91 117.35 116.28 2hqi s TYR 66 Ca 0.00 -1.41 0.00 0.00 -0.37 0.00 0.00 57.07 55.29 2hqi s TYR 66 Cb 0.00 -2.22 0.00 0.00 -0.40 0.00 0.00 41.96 39.34 2hqi s TYR 66 CO 0.00 -0.71 0.00 -2.30 -1.57 0.00 0.00 175.55 170.97 2hqi n PRO 67 N 4.78 3.61 -3.07 -1.71 -0.02 -1.24 -3.59 135.00 133.76 2hqi n PRO 67 Ca -0.14 0.00 -0.05 0.00 -2.02 0.00 0.00 63.50 61.30 2hqi n PRO 67 Cb 0.45 0.00 0.02 0.00 -0.02 0.00 0.00 33.50 33.95 2hqi n PRO 67 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 2hqi n SER 68 N 0.00 -1.49 -3.64 2.55 7.64 -1.26 -4.00 113.62 113.42 2hqi n SER 68 Ca 0.00 -1.95 -0.07 0.00 1.01 0.00 0.00 58.87 57.87 2hqi n SER 68 Cb 0.00 2.47 -0.02 0.00 -1.01 0.00 0.00 64.21 65.65 2hqi n SER 68 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2hqi s SER 69 N -2.60 -0.30 0.39 6.43 0.01 0.49 -4.86 113.70 113.27 2hqi s SER 69 Ca 0.13 -0.24 -0.14 0.00 1.31 0.00 0.00 55.95 57.02 2hqi s SER 69 Cb -0.03 0.49 -0.08 0.00 0.21 0.00 0.00 66.02 66.61 2hqi s SER 69 CO 0.07 -0.86 0.81 0.54 0.41 0.00 0.00 173.24 174.21 2hqi s VAL 70 N -3.35 4.66 -0.18 3.43 0.11 -1.26 0.20 120.40 124.01 2hqi s VAL 70 Ca 0.08 0.93 -0.08 0.00 -2.93 0.00 0.00 61.98 59.98 2hqi s VAL 70 Cb -0.02 -3.67 0.07 0.00 -1.53 0.00 0.00 36.38 31.24 2hqi s VAL 70 CO -0.03 -0.40 0.40 -0.75 -3.33 0.00 0.00 175.10 170.99 2hqi s LYS 71 N -3.49 0.35 0.00 1.54 2.20 0.74 -4.27 119.74 116.81 2hqi s LYS 71 Ca 0.55 0.89 0.00 0.00 -0.36 0.00 0.00 55.97 57.05 2hqi s LYS 71 Cb -0.10 0.13 0.00 0.00 -1.51 0.00 0.00 37.83 36.35 2hqi s LYS 71 CO 0.24 -0.21 0.00 0.94 -0.36 0.00 0.00 175.35 175.96