#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 -3.33 0.00 5.66 -1.25 -4.62 114.28 110.74 2hqi n THR 2 Ca 0.00 -0.21 0.00 0.00 -3.05 0.00 0.00 64.05 60.79 2hqi n THR 2 Cb 0.00 -1.17 0.00 0.00 -1.55 0.00 0.00 70.33 67.61 2hqi n THR 2 CO 0.00 0.00 0.00 1.67 -3.05 0.00 0.00 175.07 173.69 2hqi n GLN 3 N 6.37 0.00 -3.77 1.09 7.27 0.43 -4.01 117.38 124.75 2hqi n GLN 3 Ca 0.26 0.00 -0.37 0.00 0.07 0.00 0.00 57.00 56.96 2hqi n GLN 3 Cb 0.41 0.00 -0.12 0.00 2.41 0.00 0.00 30.24 32.94 2hqi n GLN 3 CO 0.00 0.00 0.00 -0.08 0.07 0.00 0.00 177.06 177.05 2hqi s THR 4 N -2.59 3.61 0.00 1.69 -1.32 -1.26 -0.69 115.64 115.08 2hqi s THR 4 Ca 0.00 -1.29 0.00 0.00 -1.21 0.00 0.00 61.69 59.19 2hqi s THR 4 Cb 0.00 -3.11 0.00 0.00 -1.51 0.00 0.00 72.50 67.88 2hqi s THR 4 CO 0.00 -0.24 0.00 0.52 -2.21 0.00 0.00 174.62 172.69 2hqi n VAL 5 N 4.76 0.00 -3.79 5.08 0.31 -0.61 -4.97 118.33 119.11 2hqi n VAL 5 Ca -0.11 0.00 -0.37 0.00 -0.01 0.00 0.00 64.34 63.85 2hqi n VAL 5 Cb 0.44 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 33.31 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 -2.90 5.38 -0.14 2.52 2.01 -0.68 -1.73 115.64 120.10 2hqi s THR 6 Ca 0.00 0.33 0.00 0.00 0.31 0.00 0.00 61.69 62.33 2hqi s THR 6 Cb 0.00 -3.49 -0.01 0.00 0.01 0.00 0.00 72.50 69.02 2hqi s THR 6 CO 0.00 0.58 -0.15 -0.76 -0.69 0.00 0.00 174.62 173.60 2hqi s LEU 7 N -1.13 2.55 -0.62 4.42 1.02 0.89 0.27 118.68 126.07 2hqi s LEU 7 Ca 0.18 -0.42 -0.26 0.00 0.02 0.00 0.00 54.13 53.66 2hqi s LEU 7 Cb -0.13 -1.57 0.04 0.00 0.02 0.00 0.00 46.19 44.54 2hqi s LEU 7 CO 0.08 0.12 1.11 0.00 0.02 0.00 0.00 176.35 177.67 2hqi s ALA 8 N 0.61 3.00 -0.07 4.21 0.00 0.76 0.15 121.76 130.43 2hqi s ALA 8 Ca -0.08 -1.21 -0.25 0.00 0.00 0.00 0.00 51.96 50.41 2hqi s ALA 8 Cb -0.16 -3.98 -0.03 0.00 0.00 0.00 0.00 23.12 18.95 2hqi s ALA 8 CO 0.03 -2.75 0.78 0.54 0.00 0.00 0.00 175.76 174.36 2hqi s VAL 9 N 4.73 4.98 0.00 0.00 0.11 -1.24 -0.11 120.40 128.86 2hqi s VAL 9 Ca 0.35 1.60 0.00 0.00 -2.93 0.00 0.00 61.98 61.00 2hqi s VAL 9 Cb -0.10 -4.11 0.00 0.00 -1.53 0.00 0.00 36.38 30.63 2hqi s VAL 9 CO 0.19 0.20 0.00 -2.65 -3.33 0.00 0.00 175.10 169.51 2hqi n PRO 10 N 4.04 0.92 0.00 1.54 -0.02 -1.24 -4.17 135.00 136.08 2hqi n PRO 10 Ca 0.01 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.49 2hqi n PRO 10 Cb 0.51 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.99 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 4.91 2.00 4.94 -1.23 0.00 -1.26 -4.21 105.19 110.34 2hqi n GLY 11 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.76 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 0.15 117.12 117.69 2hqi n MET 12 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 57.70 57.83 2hqi n MET 12 Cb 0.00 0.00 0.60 0.00 0.00 0.00 0.00 33.22 33.82 2hqi n MET 12 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 175.97 177.76 2hqi h THR 13 N 0.00 0.90 -1.11 3.17 1.35 -1.91 -3.44 112.91 111.87 2hqi h THR 13 Ca 0.00 -0.05 -0.73 0.00 -0.55 0.00 0.00 66.41 65.08 2hqi h THR 13 Cb 0.00 0.73 0.08 0.00 -1.73 0.00 0.00 68.15 67.23 2hqi h THR 13 CO 0.00 0.03 -0.15 0.00 -0.25 0.00 0.00 175.52 175.15 2hqi h ALA 15 N 2.24 3.00 0.00 0.00 0.00 -1.89 -3.34 119.26 119.26 2hqi h ALA 15 Ca -0.41 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2hqi h ALA 15 Cb 1.42 0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.41 2hqi h ALA 15 CO 0.62 -1.61 0.00 0.00 0.00 0.00 0.00 179.25 178.26 2hqi n ALA 16 N -2.62 0.00 0.02 0.00 0.00 -1.26 -5.04 120.51 111.61 2hqi n ALA 16 Ca 0.38 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.61 2hqi n ALA 16 Cb 1.56 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 20.87 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 -0.32 0.00 -0.71 0.00 0.14 -1.89 -1.94 132.00 127.28 2hqi h PRO 18 Ca -0.27 0.00 0.13 0.00 0.14 0.00 0.00 66.00 66.00 2hqi h PRO 18 Cb 1.74 0.00 -0.05 0.00 0.14 0.00 0.00 31.00 32.83 2hqi h PRO 18 CO 0.08 0.06 0.47 0.97 0.14 0.00 0.00 178.00 179.72 2hqi h ILE 19 N 0.00 0.84 0.10 -3.56 2.10 -1.82 -1.19 117.51 113.97 2hqi h ILE 19 Ca -0.00 -0.15 -0.33 0.00 1.08 0.00 0.00 64.86 65.46 2hqi h ILE 19 Cb 0.38 0.36 -0.02 0.00 -1.09 0.00 0.00 36.82 36.45 2hqi h ILE 19 CO 0.01 0.08 -1.80 0.71 -1.08 0.00 0.00 178.15 176.07 2hqi h THR 20 N 0.44 0.83 -0.85 2.19 1.35 -1.54 -3.34 112.91 112.00 2hqi h THR 20 Ca 0.34 -2.55 0.22 0.00 -0.55 0.00 0.00 66.41 63.87 2hqi h THR 20 Cb 0.72 2.57 -0.14 0.00 -1.73 0.00 0.00 68.15 69.57 2hqi h THR 20 CO -0.11 0.78 0.17 0.58 -0.25 0.00 0.00 175.52 176.70 2hqi h VAL 21 N 0.06 0.32 -0.24 6.82 2.07 -0.88 0.18 116.25 124.58 2hqi h VAL 21 Ca -0.34 -0.06 0.02 0.00 0.82 0.00 0.00 66.70 67.14 2hqi h VAL 21 Cb 2.03 0.12 -0.03 0.00 -1.52 0.00 0.00 31.29 31.89 2hqi h VAL 21 CO 0.11 0.03 -0.20 0.50 0.02 0.00 0.00 177.57 178.03 2hqi h LYS 22 N 0.18 -0.08 -0.69 1.57 3.64 -1.52 0.27 116.57 119.94 2hqi h LYS 22 Ca 0.51 0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.93 2hqi h LYS 22 Cb 1.00 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.80 2hqi h LYS 22 CO -0.66 -0.05 0.45 0.87 -2.27 0.00 0.00 179.45 177.79 2hqi h LYS 23 N -0.08 0.81 -0.98 1.90 1.57 -1.32 -1.12 116.57 117.36 2hqi h LYS 23 Ca 0.04 -0.05 0.11 0.00 -1.87 0.00 0.00 60.65 58.88 2hqi h LYS 23 Cb 0.18 -0.18 -0.08 0.00 0.08 0.00 0.00 32.23 32.23 2hqi h LYS 23 CO -0.26 0.53 0.62 0.00 -0.57 0.00 0.00 179.45 179.77 2hqi h ALA 24 N 1.60 1.54 -0.45 3.86 0.00 0.23 2.22 119.26 128.26 2hqi h ALA 24 Ca 0.27 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.19 2hqi h ALA 24 Cb 0.06 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.62 2hqi h ALA 24 CO -0.08 0.25 0.00 1.28 0.00 0.00 0.00 179.25 180.70 2hqi n LEU 25 N -4.57 0.17 0.15 0.00 4.77 0.50 -1.90 117.00 116.11 2hqi n LEU 25 Ca 0.17 0.74 0.16 0.00 -0.03 0.00 0.00 56.01 57.05 2hqi n LEU 25 Cb 0.32 -0.43 0.73 0.00 -2.33 0.00 0.00 43.42 41.71 2hqi n LEU 25 CO 0.29 -0.43 1.14 0.77 -1.33 0.00 0.00 177.39 177.84 2hqi h SER 26 N 0.00 0.00 0.15 -1.43 4.64 -1.41 0.44 113.55 115.94 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 -0.00 2.29 -0.87 0.00 0.00 176.83 178.25 2hqi n LYS 27 N -4.20 0.87 -0.63 4.77 -0.00 0.75 -4.51 118.16 115.21 2hqi n LYS 27 Ca 0.03 -0.04 -0.02 0.00 -0.00 0.00 0.00 58.31 58.28 2hqi n LYS 27 Cb 0.35 -1.50 0.01 0.00 -0.00 0.00 0.00 35.03 33.90 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 -1.03 0.00 -3.05 0.58 3.14 0.15 -4.98 118.33 113.14 2hqi n VAL 28 Ca 0.21 -0.11 -0.35 0.00 -2.96 0.00 0.00 64.34 61.13 2hqi n VAL 28 Cb 0.16 -1.49 -0.06 0.00 -1.06 0.00 0.00 33.84 31.39 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 -2.74 4.24 0.00 1.45 0.41 -1.26 -3.61 118.70 117.18 2hqi s GLU 29 Ca 0.05 0.90 0.00 0.00 -0.41 0.00 0.00 54.97 55.51 2hqi s GLU 29 Cb -0.00 -2.73 0.00 0.00 -1.78 0.00 0.00 34.13 29.61 2hqi s GLU 29 CO 0.04 0.30 0.00 0.41 -0.49 0.00 0.00 175.26 175.52 2hqi n GLY 30 N 0.39 2.54 2.86 -1.39 0.00 -1.25 -4.38 105.19 103.95 2hqi n GLY 30 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 2hqi n GLY 30 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2hqi n VAL 31 N -2.00 1.46 0.00 1.61 3.14 -1.24 0.13 118.33 121.43 2hqi n VAL 31 Ca 0.00 -0.42 0.00 0.00 -2.96 0.00 0.00 64.34 60.96 2hqi n VAL 31 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 2hqi n VAL 31 CO 0.00 0.00 0.00 -0.24 -6.46 0.00 0.00 176.83 170.13 2hqi n SER 32 N 1.75 0.00 -4.32 6.55 2.88 0.75 -4.64 113.62 116.59 2hqi n SER 32 Ca 0.14 0.00 -0.25 0.00 -1.33 0.00 0.00 58.87 57.43 2hqi n SER 32 Cb 0.24 0.10 -0.12 0.00 -0.75 0.00 0.00 64.21 63.68 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 -1.41 1.22 -0.36 -1.46 2.20 -0.93 -4.82 119.74 114.18 2hqi s LYS 33 Ca 0.00 -1.26 0.01 0.00 -0.36 0.00 0.00 55.97 54.37 2hqi s LYS 33 Cb 0.00 -1.51 0.15 0.00 -1.51 0.00 0.00 37.83 34.96 2hqi s LYS 33 CO 0.00 0.34 0.28 0.54 -0.36 0.00 0.00 175.35 176.16 2hqi s VAL 34 N -1.31 -0.01 -0.51 4.02 0.11 -1.26 -1.53 120.40 119.90 2hqi s VAL 34 Ca 0.10 -1.55 0.03 0.00 -2.93 0.00 0.00 61.98 57.64 2hqi s VAL 34 Cb -0.09 -0.96 0.14 0.00 -1.53 0.00 0.00 36.38 33.93 2hqi s VAL 34 CO 0.05 -0.87 0.29 -1.81 -3.33 0.00 0.00 175.10 169.44 2hqi s ASP 35 N 1.09 4.00 0.04 3.54 1.11 0.63 -4.97 116.67 122.12 2hqi s ASP 35 Ca 0.19 -3.01 -0.04 0.00 0.18 0.00 0.00 52.55 49.87 2hqi s ASP 35 Cb -0.18 -1.35 -0.02 0.00 1.07 0.00 0.00 42.92 42.45 2hqi s ASP 35 CO -0.02 -0.22 0.07 -0.69 1.18 0.00 0.00 175.17 175.49 2hqi s VAL 36 N -0.22 0.15 -0.01 -1.27 1.01 -1.25 0.29 120.40 119.10 2hqi s VAL 36 Ca 0.19 -1.23 -0.29 0.00 0.00 0.00 0.00 61.98 60.65 2hqi s VAL 36 Cb -0.20 -1.01 0.10 0.00 0.00 0.00 0.00 36.38 35.27 2hqi s VAL 36 CO -0.04 -0.68 0.91 -0.83 0.00 0.00 0.00 175.10 174.47 2hqi s GLY 37 N -2.30 -0.44 0.00 4.51 0.00 -0.37 -4.74 107.32 103.99 2hqi s GLY 37 Ca -0.03 1.00 0.23 0.00 0.00 0.00 0.00 44.72 45.92 2hqi s GLY 37 CO -0.06 0.33 1.07 0.33 0.00 0.00 0.00 173.10 174.77 2hqi n PHE 38 N -0.25 0.02 -0.60 1.90 7.35 -1.26 -2.83 117.46 121.80 2hqi n PHE 38 Ca -0.08 0.01 0.48 0.00 -0.76 0.00 0.00 57.45 57.10 2hqi n PHE 38 Cb 0.62 -0.13 0.77 0.00 0.35 0.00 0.00 39.48 41.08 2hqi n PHE 38 CO 0.00 0.00 0.00 0.93 -0.76 0.00 0.00 176.76 176.93 2hqi h GLU 39 N 0.00 0.00 0.00 -4.13 5.08 -1.94 -3.33 114.58 110.26 2hqi h GLU 39 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2hqi h GLU 39 Cb 0.53 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.78 2hqi h GLU 39 CO 0.00 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 179.64 2hqi n LYS 40 N -3.86 0.00 0.00 2.33 4.01 -1.26 -5.08 118.16 114.30 2hqi n LYS 40 Ca 0.40 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 58.20 2hqi n LYS 40 Cb 1.88 -0.01 0.00 0.00 -0.51 0.00 0.00 35.03 36.40 2hqi n LYS 40 CO 0.00 0.00 0.00 2.89 -1.11 0.00 0.00 177.40 179.18 2hqi n ARG 41 N -2.63 0.00 -4.17 1.97 1.85 -1.24 -4.05 116.66 108.40 2hqi n ARG 41 Ca 0.00 0.00 -0.16 0.00 -1.00 0.00 0.00 57.85 56.69 2hqi n ARG 41 Cb 0.00 0.00 -0.13 0.00 -1.05 0.00 0.00 32.46 31.28 2hqi n ARG 41 CO 0.00 0.00 0.00 -2.00 -0.01 0.00 0.00 177.63 175.62 2hqi s GLU 42 N 0.00 0.54 -0.40 2.89 2.12 -1.13 -3.72 118.70 119.00 2hqi s GLU 42 Ca 0.00 -0.45 0.01 0.00 0.36 0.00 0.00 54.97 54.90 2hqi s GLU 42 Cb 0.00 -0.46 0.14 0.00 0.26 0.00 0.00 34.13 34.08 2hqi s GLU 42 CO 0.00 0.11 0.25 0.00 -0.54 0.00 0.00 175.26 175.08 2hqi s ALA 43 N -0.62 1.49 -0.10 6.30 0.00 0.41 -1.23 121.76 128.00 2hqi s ALA 43 Ca -0.02 -2.24 -0.21 0.00 0.00 0.00 0.00 51.96 49.49 2hqi s ALA 43 Cb -0.05 -1.72 -0.04 0.00 0.00 0.00 0.00 23.12 21.31 2hqi s ALA 43 CO 0.00 -2.08 0.58 0.08 0.00 0.00 0.00 175.76 174.35 2hqi s VAL 44 N 0.62 5.12 0.02 0.00 1.01 0.84 0.30 120.40 128.31 2hqi s VAL 44 Ca 0.20 1.18 -0.01 0.00 0.00 0.00 0.00 61.98 63.36 2hqi s VAL 44 Cb -0.19 -3.92 0.00 0.00 0.00 0.00 0.00 36.38 32.27 2hqi s VAL 44 CO -0.03 0.28 0.04 1.33 0.00 0.00 0.00 175.10 176.72 2hqi n VAL 45 N 3.79 0.00 -3.37 2.92 0.24 -0.70 0.23 118.33 121.44 2hqi n VAL 45 Ca -0.04 -0.05 -0.17 0.00 -2.04 0.00 0.00 64.34 62.03 2hqi n VAL 45 Cb 0.51 0.05 -0.08 0.00 -1.47 0.00 0.00 33.84 32.85 2hqi n VAL 45 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 2hqi s THR 46 N -2.93 -0.34 -0.35 3.34 2.01 -0.58 -1.58 115.64 115.21 2hqi s THR 46 Ca 0.01 -0.90 -0.11 0.00 0.31 0.00 0.00 61.69 61.01 2hqi s THR 46 Cb -0.00 -0.77 0.01 0.00 0.01 0.00 0.00 72.50 71.76 2hqi s THR 46 CO 0.01 -0.57 0.19 0.72 -0.69 0.00 0.00 174.62 174.28 2hqi s PHE 47 N 1.64 3.22 0.52 4.92 -0.12 0.14 0.27 117.98 128.56 2hqi s PHE 47 Ca 0.15 -0.80 -0.00 0.00 -0.05 0.00 0.00 56.93 56.23 2hqi s PHE 47 Cb -0.15 -2.42 0.02 0.00 -0.63 0.00 0.00 43.02 39.83 2hqi s PHE 47 CO -0.10 -0.57 0.76 0.16 -0.05 0.00 0.00 175.22 175.41 2hqi s ASP 48 N 1.58 5.54 -0.35 1.98 1.47 0.35 0.16 116.67 127.40 2hqi s ASP 48 Ca 0.03 0.23 -0.03 0.00 1.18 0.00 0.00 52.55 53.96 2hqi s ASP 48 Cb -0.18 -1.28 -0.06 0.00 -0.34 0.00 0.00 42.92 41.06 2hqi s ASP 48 CO 0.07 -0.96 1.69 -0.90 0.68 0.00 0.00 175.17 175.75 2hqi n ASP 49 N -2.28 2.68 0.09 2.11 5.68 -1.26 -3.94 116.55 119.64 2hqi n ASP 49 Ca 0.05 -2.06 0.12 0.00 -0.50 0.00 0.00 54.79 52.39 2hqi n ASP 49 Cb 0.59 -0.74 0.07 0.00 -1.14 0.00 0.00 41.12 39.90 2hqi n ASP 49 CO 0.00 0.00 0.00 0.74 -1.33 0.00 0.00 177.20 176.61 2hqi h THR 50 N 3.21 0.00 0.00 2.12 2.02 -1.87 -3.44 112.91 114.96 2hqi h THR 50 Ca 0.22 -0.79 0.00 0.00 0.77 0.00 0.00 66.41 66.61 2hqi h THR 50 Cb 0.29 1.32 0.00 0.00 -1.74 0.00 0.00 68.15 68.03 2hqi h THR 50 CO 0.92 0.00 0.00 0.29 0.37 0.00 0.00 175.52 177.10 2hqi n LYS 51 N -2.45 0.00 -1.77 6.66 4.76 -1.26 -4.70 118.16 119.39 2hqi n LYS 51 Ca 0.01 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.45 2hqi n LYS 51 Cb 0.50 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.69 2hqi n LYS 51 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2hqi n ALA 52 N 0.00 0.00 -2.55 7.82 0.00 -1.26 -4.71 120.51 119.82 2hqi n ALA 52 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.28 2hqi n ALA 52 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 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 -0.86 0.97 0.04 0.00 0.15 -1.26 -4.65 113.70 108.09 2hqi s SER 53 Ca 0.00 -1.53 -0.22 0.00 0.70 0.00 0.00 55.95 54.90 2hqi s SER 53 Cb 0.00 0.56 -0.14 0.00 -1.71 0.00 0.00 66.02 64.73 2hqi s SER 53 CO 0.00 -1.11 1.45 1.62 1.20 0.00 0.00 173.24 176.40 2hqi h VAL 54 N 2.23 1.27 0.00 4.45 3.04 -1.92 0.75 116.25 126.07 2hqi h VAL 54 Ca -0.28 -0.87 -0.04 0.00 -1.01 0.00 0.00 66.70 64.50 2hqi h VAL 54 Cb 1.24 1.64 -0.01 0.00 -2.01 0.00 0.00 31.29 32.16 2hqi h VAL 54 CO 0.40 0.25 -0.19 1.56 -1.01 0.00 0.00 177.57 178.58 2hqi h GLN 55 N -0.11 0.00 0.02 4.17 4.20 -1.97 0.47 115.11 121.90 2hqi h GLN 55 Ca 0.03 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.74 2hqi h GLN 55 Cb 0.39 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.17 2hqi h GLN 55 CO 0.01 0.19 -0.01 0.87 -0.67 0.00 0.00 178.83 179.21 2hqi h LYS 56 N 0.00 -0.03 -0.09 1.46 1.79 -1.84 -2.57 116.57 115.30 2hqi h LYS 56 Ca -0.00 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2hqi h LYS 56 Cb 0.67 0.01 -0.00 0.00 -1.58 0.00 0.00 32.23 31.32 2hqi h LYS 56 CO 0.02 0.29 0.05 1.37 -1.08 0.00 0.00 179.45 180.10 2hqi h LEU 57 N -1.00 0.11 -0.32 2.94 8.10 0.52 -2.69 115.31 122.96 2hqi h LEU 57 Ca -0.00 -0.08 0.07 0.00 0.11 0.00 0.00 57.88 57.98 2hqi h LEU 57 Cb 0.34 -0.03 -0.08 0.00 -0.44 0.00 0.00 40.66 40.45 2hqi h LEU 57 CO 0.01 0.15 -0.26 0.71 -4.11 0.00 0.00 178.44 174.94 2hqi h THR 58 N 0.05 0.35 -0.60 0.15 1.35 -1.05 -1.23 112.91 111.93 2hqi h THR 58 Ca 0.03 0.00 0.08 0.00 -0.55 0.00 0.00 66.41 65.97 2hqi h THR 58 Cb 0.07 0.35 -0.10 0.00 -1.73 0.00 0.00 68.15 66.73 2hqi h THR 58 CO -0.00 0.00 -0.47 0.11 -0.25 0.00 0.00 175.52 174.90 2hqi h LYS 59 N -0.22 -0.22 -1.01 4.72 1.57 -1.15 1.79 116.57 122.05 2hqi h LYS 59 Ca 0.16 0.02 0.23 0.00 -1.87 0.00 0.00 60.65 59.18 2hqi h LYS 59 Cb 0.48 0.05 -0.11 0.00 0.08 0.00 0.00 32.23 32.73 2hqi h LYS 59 CO -0.45 -0.15 0.61 0.00 -0.57 0.00 0.00 179.45 178.89 2hqi h ALA 60 N 0.50 1.82 -0.28 3.86 0.00 -0.96 0.53 119.26 124.73 2hqi h ALA 60 Ca 0.16 0.10 -0.18 0.00 0.00 0.00 0.00 54.91 54.99 2hqi h ALA 60 Cb 0.56 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.33 2hqi h ALA 60 CO -0.71 -0.24 -0.52 1.79 0.00 0.00 0.00 179.25 179.58 2hqi h THR 61 N 0.62 1.28 0.00 0.00 1.35 0.25 -2.86 112.91 113.56 2hqi h THR 61 Ca 0.61 -1.70 -0.03 0.00 -0.55 0.00 0.00 66.41 64.74 2hqi h THR 61 Cb 1.14 1.66 -0.00 0.00 -1.73 0.00 0.00 68.15 69.22 2hqi h THR 61 CO -0.41 0.55 -0.14 0.00 -0.25 0.00 0.00 175.52 175.27 2hqi h ALA 62 N 0.67 1.52 0.00 6.62 0.00 0.67 -1.60 119.26 127.14 2hqi h ALA 62 Ca 0.01 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 2hqi h ALA 62 Cb 1.12 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 2hqi h ALA 62 CO 0.12 0.18 -0.06 -0.44 0.00 0.00 0.00 179.25 179.04 2hqi h ASP 63 N 0.00 0.00 -0.41 0.00 3.32 -0.16 -0.68 116.42 118.48 2hqi h ASP 63 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2hqi h ASP 63 Cb 0.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.85 2hqi h ASP 63 CO 0.02 0.06 0.00 0.00 -1.72 0.00 0.00 179.24 177.60 2hqi n ALA 64 N -2.22 2.52 0.00 3.45 0.00 -0.61 -4.88 120.51 118.77 2hqi n ALA 64 Ca -0.02 -0.77 0.00 0.00 0.00 0.00 0.00 53.44 52.65 2hqi n ALA 64 Cb 0.19 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.66 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 1.09 2.88 3.29 0.00 0.00 -0.26 -4.96 105.19 107.24 2hqi n GLY 65 Ca 0.14 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.57 3.18 0.00 1.61 2.02 -1.22 -4.94 117.35 116.43 2hqi s TYR 66 Ca 0.00 -1.25 0.00 0.00 -0.37 0.00 0.00 57.07 55.45 2hqi s TYR 66 Cb 0.00 -2.23 0.00 0.00 -0.40 0.00 0.00 41.96 39.33 2hqi s TYR 66 CO 0.00 -0.66 0.00 -0.35 -1.57 0.00 0.00 175.55 172.97 2hqi n PRO 67 N 4.81 3.77 -3.96 -1.71 -0.05 -1.25 -3.26 135.00 133.35 2hqi n PRO 67 Ca -0.14 0.00 -0.12 0.00 -0.05 0.00 0.00 63.50 63.19 2hqi n PRO 67 Cb 0.46 0.00 -0.02 0.00 -0.05 0.00 0.00 33.50 33.90 2hqi n PRO 67 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 175.50 175.90 2hqi s SER 68 N 0.43 0.43 0.14 3.54 0.15 -1.26 -3.71 113.70 113.42 2hqi s SER 68 Ca 0.00 -1.27 -0.11 0.00 0.70 0.00 0.00 55.95 55.26 2hqi s SER 68 Cb 0.00 0.74 0.01 0.00 -1.71 0.00 0.00 66.02 65.05 2hqi s SER 68 CO 0.00 -1.44 0.31 -0.94 1.20 0.00 0.00 173.24 172.37 2hqi s SER 69 N -3.14 -0.03 0.42 5.45 1.04 0.84 -4.86 113.70 113.42 2hqi s SER 69 Ca 0.23 -0.64 -0.16 0.00 0.48 0.00 0.00 55.95 55.87 2hqi s SER 69 Cb -0.03 0.43 -0.09 0.00 0.10 0.00 0.00 66.02 66.44 2hqi s SER 69 CO 0.15 -0.86 0.86 0.54 0.98 0.00 0.00 173.24 174.92 2hqi s VAL 70 N -3.89 4.59 -0.18 5.02 0.11 -1.26 0.27 120.40 125.06 2hqi s VAL 70 Ca 0.09 1.08 -0.09 0.00 -2.93 0.00 0.00 61.98 60.13 2hqi s VAL 70 Cb 0.03 -3.66 0.07 0.00 -1.53 0.00 0.00 36.38 31.28 2hqi s VAL 70 CO -0.06 -0.43 0.43 -0.54 -3.33 0.00 0.00 175.10 171.17 2hqi s LYS 71 N -3.51 0.40 0.00 1.54 -0.14 0.77 -4.15 119.74 114.64 2hqi s LYS 71 Ca 0.57 0.86 0.31 0.00 -1.36 0.00 0.00 55.97 56.35 2hqi s LYS 71 Cb -0.10 0.05 1.71 0.00 -1.68 0.00 0.00 37.83 37.81 2hqi s LYS 71 CO 0.23 -0.17 2.12 0.00 -0.76 0.00 0.00 175.35 176.76