#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 -3.94 0.00 5.66 -1.26 -4.51 114.28 110.22 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 -0.34 -0.14 0.00 -1.55 0.00 0.00 70.33 68.30 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 -2.86 2.01 -0.66 1.09 2.00 0.81 -4.85 119.66 117.19 2hqi s GLN 3 Ca 0.42 -2.66 0.05 0.00 -2.00 0.00 0.00 55.36 51.17 2hqi s GLN 3 Cb -0.02 -3.33 0.16 0.00 0.80 0.00 0.00 33.01 30.62 2hqi s GLN 3 CO 0.56 -1.12 0.46 -0.08 -0.50 0.00 0.00 175.29 174.60 2hqi s THR 4 N -0.34 2.68 0.00 -0.34 -1.32 -1.25 0.22 115.64 115.28 2hqi s THR 4 Ca 0.17 -4.05 0.00 0.00 -1.21 0.00 0.00 61.69 56.60 2hqi s THR 4 Cb -0.25 -2.77 0.00 0.00 -1.51 0.00 0.00 72.50 67.97 2hqi s THR 4 CO -0.01 -1.00 0.00 0.52 -2.21 0.00 0.00 174.62 171.93 2hqi n VAL 5 N 2.16 0.00 -3.47 5.08 0.31 -0.88 -4.96 118.33 116.57 2hqi n VAL 5 Ca 0.19 0.00 -0.38 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 5.13 0.28 2.52 2.01 -0.58 -1.99 115.64 120.08 2hqi s THR 6 Ca 0.00 0.81 0.09 0.00 0.31 0.00 0.00 61.69 62.90 2hqi s THR 6 Cb 0.00 -3.72 -0.04 0.00 0.01 0.00 0.00 72.50 68.75 2hqi s THR 6 CO 0.00 0.48 0.00 -0.76 -0.69 0.00 0.00 174.62 173.66 2hqi s LEU 7 N -0.37 3.17 -0.01 4.42 1.02 0.92 0.30 118.68 128.12 2hqi s LEU 7 Ca 0.23 -0.69 -0.13 0.00 0.02 0.00 0.00 54.13 53.56 2hqi s LEU 7 Cb -0.16 -1.68 -0.05 0.00 0.02 0.00 0.00 46.19 44.32 2hqi s LEU 7 CO 0.11 -0.04 0.36 0.00 0.02 0.00 0.00 176.35 176.80 2hqi s ALA 8 N -2.35 3.74 -0.83 4.21 0.00 -0.69 0.18 121.76 126.02 2hqi s ALA 8 Ca 0.32 -0.31 -0.01 0.00 0.00 0.00 0.00 51.96 51.96 2hqi s ALA 8 Cb -0.06 -2.30 0.21 0.00 0.00 0.00 0.00 23.12 20.97 2hqi s ALA 8 CO 0.20 0.52 0.70 0.08 0.00 0.00 0.00 175.76 177.25 2hqi s VAL 9 N -1.10 4.09 0.62 0.00 1.01 -1.13 -1.28 120.40 122.61 2hqi s VAL 9 Ca 0.23 -3.79 0.24 0.00 0.00 0.00 0.00 61.98 58.66 2hqi s VAL 9 Cb -0.16 -3.57 0.33 0.00 0.00 0.00 0.00 36.38 32.98 2hqi s VAL 9 CO 0.12 -1.05 1.40 -0.65 0.00 0.00 0.00 175.10 174.92 2hqi h PRO 10 N 6.08 0.00 -0.91 2.72 0.11 -1.86 -2.02 132.00 136.12 2hqi h PRO 10 Ca 0.13 0.00 0.14 0.00 0.11 0.00 0.00 66.00 66.38 2hqi h PRO 10 Cb 0.83 0.00 -0.15 0.00 0.11 0.00 0.00 31.00 31.79 2hqi h PRO 10 CO 0.82 0.00 -0.40 0.78 -0.21 0.00 0.00 178.00 178.99 2hqi h GLY 11 N 0.00 -0.04 0.00 -0.55 0.00 -1.91 -3.42 103.07 97.15 2hqi h GLY 11 Ca 0.35 0.53 0.00 0.00 0.00 0.00 0.00 47.33 48.21 2hqi h GLY 11 CO -0.00 -0.19 0.00 1.03 0.00 0.00 0.00 176.54 177.38 2hqi n MET 12 N -5.45 0.00 0.00 4.80 2.81 -0.76 -2.42 117.12 116.10 2hqi n MET 12 Ca 0.08 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.97 2hqi n MET 12 Cb 0.38 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.89 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 0.28 2.03 5.66 -1.26 -4.48 114.28 116.51 2hqi n THR 13 Ca 0.00 0.00 0.18 0.00 -3.05 0.00 0.00 64.05 61.18 2hqi n THR 13 Cb 0.00 0.00 0.93 0.00 -1.55 0.00 0.00 70.33 69.71 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 -2.14 0.00 -2.38 0.00 0.00 -1.26 -4.91 120.51 109.81 2hqi n ALA 15 Ca -0.01 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 2hqi n ALA 15 Cb 0.27 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.73 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 0.00 -0.08 0.01 0.00 0.00 -1.26 -4.99 120.51 114.19 2hqi n ALA 16 Ca 0.00 0.02 -0.02 0.00 0.00 0.00 0.00 53.44 53.45 2hqi n ALA 16 Cb 0.00 -0.78 -0.01 0.00 0.00 0.00 0.00 19.45 18.66 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 -0.83 0.00 -1.00 0.00 0.13 -1.88 0.69 132.00 129.10 2hqi h PRO 18 Ca -0.01 0.00 0.18 0.00 -0.87 0.00 0.00 66.00 65.30 2hqi h PRO 18 Cb 0.08 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 31.11 2hqi h PRO 18 CO 0.02 0.00 0.62 0.97 -0.23 0.00 0.00 178.00 179.37 2hqi h ILE 19 N 0.00 0.75 0.24 -3.56 2.10 -1.83 -0.21 117.51 114.99 2hqi h ILE 19 Ca 0.33 -0.28 -0.33 0.00 1.08 0.00 0.00 64.86 65.66 2hqi h ILE 19 Cb 1.73 -0.13 0.03 0.00 -1.09 0.00 0.00 36.82 37.37 2hqi h ILE 19 CO -0.00 0.15 -1.46 0.71 -1.08 0.00 0.00 178.15 176.46 2hqi h THR 20 N 0.80 1.30 -0.75 2.19 1.35 0.24 -3.29 112.91 114.75 2hqi h THR 20 Ca 0.56 -2.75 0.17 0.00 -0.55 0.00 0.00 66.41 63.84 2hqi h THR 20 Cb 0.83 3.02 -0.13 0.00 -1.73 0.00 0.00 68.15 70.14 2hqi h THR 20 CO -0.36 0.82 -0.04 0.58 -0.25 0.00 0.00 175.52 176.28 2hqi h VAL 21 N 0.14 0.32 0.00 6.82 2.07 -0.79 0.97 116.25 125.77 2hqi h VAL 21 Ca -0.24 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.25 2hqi h VAL 21 Cb 2.14 0.23 0.00 0.00 -1.52 0.00 0.00 31.29 32.15 2hqi h VAL 21 CO 0.26 0.01 0.00 1.17 0.02 0.00 0.00 177.57 179.04 2hqi n LYS 22 N -5.38 0.00 -0.33 1.57 0.00 -0.78 -0.45 118.16 112.79 2hqi n LYS 22 Ca 0.13 0.91 0.03 0.00 0.00 0.00 0.00 58.31 59.38 2hqi n LYS 22 Cb 0.46 -1.50 0.18 0.00 0.00 0.00 0.00 35.03 34.17 2hqi n LYS 22 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.40 177.18 2hqi h LYS 23 N 0.00 0.93 -0.81 1.64 3.64 -1.42 -1.20 116.57 119.35 2hqi h LYS 23 Ca 0.00 -0.06 0.20 0.00 -1.27 0.00 0.00 60.65 59.52 2hqi h LYS 23 Cb 0.00 -0.21 -0.14 0.00 -0.41 0.00 0.00 32.23 31.47 2hqi h LYS 23 CO 0.00 0.62 0.08 0.00 -2.27 0.00 0.00 179.45 177.87 2hqi h ALA 24 N 1.47 0.95 0.46 5.00 0.00 0.36 2.51 119.26 130.00 2hqi h ALA 24 Ca 0.43 0.24 -0.02 0.00 0.00 0.00 0.00 54.91 55.55 2hqi h ALA 24 Cb 0.32 0.40 0.00 0.00 0.00 0.00 0.00 17.79 18.51 2hqi h ALA 24 CO -0.22 -0.44 -0.22 -0.07 0.00 0.00 0.00 179.25 178.30 2hqi h LEU 25 N 0.13 -0.52 0.00 0.00 3.38 0.51 -2.00 115.31 116.81 2hqi h LEU 25 Ca 0.46 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.45 2hqi h LEU 25 Cb 0.86 0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.75 2hqi h LEU 25 CO -0.68 -0.33 0.00 -0.24 0.09 0.00 0.00 178.44 177.28 2hqi n SER 26 N -3.86 0.00 -0.05 -0.43 2.88 -0.80 -2.20 113.62 109.17 2hqi n SER 26 Ca -0.08 -0.84 -0.14 0.00 -1.33 0.00 0.00 58.87 56.49 2hqi n SER 26 Cb 0.24 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.56 2hqi n SER 26 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 2hqi n LYS 27 N -0.64 0.68 -0.00 -1.46 4.81 0.84 -4.84 118.16 117.55 2hqi n LYS 27 Ca 0.03 0.19 0.00 0.00 -0.87 0.00 0.00 58.31 57.66 2hqi n LYS 27 Cb 0.02 -1.66 0.00 0.00 0.02 0.00 0.00 35.03 33.40 2hqi n LYS 27 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 2hqi n VAL 28 N -3.11 0.00 -2.25 3.15 0.31 -0.85 -5.03 118.33 110.55 2hqi n VAL 28 Ca -0.29 0.00 -0.25 0.00 -0.01 0.00 0.00 64.34 63.78 2hqi n VAL 28 Cb 1.07 -2.00 0.08 0.00 -0.91 0.00 0.00 33.84 32.08 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 -0.16 2.08 0.00 5.55 8.01 -1.26 -4.10 118.70 128.81 2hqi s GLU 29 Ca 0.00 -0.38 0.00 0.00 0.01 0.00 0.00 54.97 54.60 2hqi s GLU 29 Cb 0.00 -2.19 0.00 0.00 -4.31 0.00 0.00 34.13 27.63 2hqi s GLU 29 CO 0.00 -1.29 0.00 0.41 0.01 0.00 0.00 175.26 174.39 2hqi n GLY 30 N -2.92 2.20 3.07 -1.39 0.00 -1.24 -4.55 105.19 100.35 2hqi n GLY 30 Ca 0.09 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.74 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 0.00 1.61 0.31 -1.26 0.19 118.33 117.18 2hqi n VAL 31 Ca 0.00 -0.19 0.00 0.00 -0.01 0.00 0.00 64.34 64.14 2hqi n VAL 31 Cb 0.00 -0.14 0.00 0.00 -0.91 0.00 0.00 33.84 32.79 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 2.35 -0.07 -4.10 4.52 2.88 -0.95 -4.46 113.62 113.79 2hqi n SER 32 Ca -0.01 0.04 -0.10 0.00 -1.33 0.00 0.00 58.87 57.47 2hqi n SER 32 Cb 0.67 0.19 -0.09 0.00 -0.75 0.00 0.00 64.21 64.23 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 1.05 -0.28 -1.46 2.20 0.16 -4.95 119.74 114.46 2hqi s LYS 33 Ca 0.00 -1.39 -0.15 0.00 -0.36 0.00 0.00 55.97 54.07 2hqi s LYS 33 Cb 0.00 0.29 0.09 0.00 -1.51 0.00 0.00 37.83 36.69 2hqi s LYS 33 CO 0.00 -0.33 0.67 0.54 -0.36 0.00 0.00 175.35 175.86 2hqi s VAL 34 N -4.04 -0.14 -0.39 4.02 0.11 -1.26 -2.15 120.40 116.55 2hqi s VAL 34 Ca 0.24 0.01 0.03 0.00 -2.93 0.00 0.00 61.98 59.34 2hqi s VAL 34 Cb 0.06 -0.97 0.16 0.00 -1.53 0.00 0.00 36.38 34.10 2hqi s VAL 34 CO 0.03 0.00 0.39 -1.81 -3.33 0.00 0.00 175.10 170.39 2hqi s ASP 35 N 1.80 1.08 0.06 3.54 1.11 0.85 -4.94 116.67 120.17 2hqi s ASP 35 Ca -0.09 -1.83 -0.02 0.00 0.18 0.00 0.00 52.55 50.79 2hqi s ASP 35 Cb -0.06 0.49 -0.04 0.00 1.07 0.00 0.00 42.92 44.38 2hqi s ASP 35 CO -0.19 -0.23 -0.00 -0.69 1.18 0.00 0.00 175.17 175.23 2hqi s VAL 36 N 1.18 0.21 0.01 -1.27 1.01 -1.25 0.27 120.40 120.56 2hqi s VAL 36 Ca 0.20 -1.74 -0.28 0.00 0.00 0.00 0.00 61.98 60.16 2hqi s VAL 36 Cb -0.12 -1.51 0.10 0.00 0.00 0.00 0.00 36.38 34.84 2hqi s VAL 36 CO -0.04 -0.94 0.89 -0.83 0.00 0.00 0.00 175.10 174.17 2hqi s GLY 37 N -2.92 -0.45 0.00 4.51 0.00 -0.67 -4.78 107.32 103.01 2hqi s GLY 37 Ca 0.07 0.93 0.24 0.00 0.00 0.00 0.00 44.72 45.96 2hqi s GLY 37 CO -0.10 0.30 1.26 0.33 0.00 0.00 0.00 173.10 174.90 2hqi n PHE 38 N -0.27 0.00 -0.24 1.90 -0.00 -1.26 -2.89 117.46 114.71 2hqi n PHE 38 Ca -0.09 0.00 0.32 0.00 -0.00 0.00 0.00 57.45 57.68 2hqi n PHE 38 Cb 0.62 -0.14 0.62 0.00 -0.00 0.00 0.00 39.48 40.58 2hqi n PHE 38 CO 0.00 0.00 0.00 1.49 -0.00 0.00 0.00 176.76 178.25 2hqi h GLU 39 N 0.36 0.00 0.00 -4.13 4.81 -1.95 -3.37 114.58 110.31 2hqi h GLU 39 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2hqi h GLU 39 Cb 0.52 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.90 2hqi h GLU 39 CO 0.00 0.00 0.00 1.63 -0.73 0.00 0.00 179.01 179.91 2hqi n LYS 40 N -3.61 0.00 0.00 1.92 4.01 -1.26 -5.06 118.16 114.16 2hqi n LYS 40 Ca 0.23 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 58.03 2hqi n LYS 40 Cb 1.35 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.87 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 -2.65 0.00 -4.05 1.97 -4.01 -1.21 -3.62 116.66 103.09 2hqi n ARG 41 Ca 0.00 0.00 -0.25 0.00 -1.04 0.00 0.00 57.85 56.56 2hqi n ARG 41 Cb 0.00 0.00 -0.17 0.00 -3.04 0.00 0.00 32.46 29.25 2hqi n ARG 41 CO 0.00 0.00 0.00 -1.21 -3.04 0.00 0.00 177.63 173.38 2hqi s GLU 42 N 0.00 1.41 -0.70 2.89 2.02 -1.14 -2.83 118.70 120.35 2hqi s GLU 42 Ca 0.00 -0.24 -0.02 0.00 0.02 0.00 0.00 54.97 54.73 2hqi s GLU 42 Cb 0.00 -1.42 0.18 0.00 0.10 0.00 0.00 34.13 32.98 2hqi s GLU 42 CO 0.00 -0.19 0.54 0.00 0.02 0.00 0.00 175.26 175.62 2hqi s ALA 43 N 1.45 3.78 -0.43 5.21 0.00 0.13 -1.67 121.76 130.22 2hqi s ALA 43 Ca -0.00 -3.46 -0.23 0.00 0.00 0.00 0.00 51.96 48.26 2hqi s ALA 43 Cb -0.13 -2.68 0.02 0.00 0.00 0.00 0.00 23.12 20.33 2hqi s ALA 43 CO -0.05 -2.12 0.78 0.08 0.00 0.00 0.00 175.76 174.45 2hqi s VAL 44 N -0.51 4.67 0.17 0.00 1.01 0.76 0.31 120.40 126.81 2hqi s VAL 44 Ca 0.20 0.51 -0.09 0.00 0.00 0.00 0.00 61.98 62.61 2hqi s VAL 44 Cb -0.16 -4.30 -0.01 0.00 0.00 0.00 0.00 36.38 31.91 2hqi s VAL 44 CO -0.06 -0.66 0.29 0.68 0.00 0.00 0.00 175.10 175.34 2hqi s VAL 45 N 3.24 0.06 -0.35 2.92 -7.23 -0.84 0.29 120.40 118.49 2hqi s VAL 45 Ca 0.30 -1.44 0.00 0.00 -1.81 0.00 0.00 61.98 59.03 2hqi s VAL 45 Cb -0.12 -1.92 0.11 0.00 0.56 0.00 0.00 36.38 35.01 2hqi s VAL 45 CO 0.21 -0.26 0.15 -0.89 -0.31 0.00 0.00 175.10 174.01 2hqi s THR 46 N -3.99 0.97 0.43 5.32 2.01 -0.91 -2.08 115.64 117.39 2hqi s THR 46 Ca 0.19 -1.78 0.01 0.00 0.31 0.00 0.00 61.69 60.42 2hqi s THR 46 Cb 0.03 -1.71 0.01 0.00 0.01 0.00 0.00 72.50 70.84 2hqi s THR 46 CO 0.02 -0.77 0.09 2.22 -0.69 0.00 0.00 174.62 175.48 2hqi n PHE 47 N 4.37 0.53 -3.66 4.92 1.16 0.59 -0.66 117.46 124.71 2hqi n PHE 47 Ca 0.03 -2.06 -0.09 0.00 -1.87 0.00 0.00 57.45 53.46 2hqi n PHE 47 Cb 0.39 -0.31 -0.02 0.00 -1.61 0.00 0.00 39.48 37.94 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 -3.43 -0.38 0.00 5.98 -4.77 0.50 0.28 116.67 114.85 2hqi s ASP 48 Ca 0.07 -0.32 0.09 0.00 -3.30 0.00 0.00 52.55 49.09 2hqi s ASP 48 Cb -0.01 0.64 0.56 0.00 -1.09 0.00 0.00 42.92 43.03 2hqi s ASP 48 CO 0.04 -1.13 0.99 -0.90 0.70 0.00 0.00 175.17 174.88 2hqi n ASP 49 N -0.42 0.00 -0.19 2.11 5.75 -1.26 -3.71 116.55 118.83 2hqi n ASP 49 Ca -0.10 -0.62 0.30 0.00 -0.01 0.00 0.00 54.79 54.36 2hqi n ASP 49 Cb 0.62 0.00 0.61 0.00 -1.03 0.00 0.00 41.12 41.32 2hqi n ASP 49 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2hqi h THR 50 N 0.00 0.16 0.00 2.12 1.03 -1.94 -3.12 112.91 111.15 2hqi h THR 50 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.40 2hqi h THR 50 Cb 0.00 0.24 0.00 0.00 -1.07 0.00 0.00 68.15 67.32 2hqi h THR 50 CO 0.00 0.00 0.00 0.29 -0.01 0.00 0.00 175.52 175.80 2hqi n LYS 51 N -3.57 0.00 0.00 0.00 4.76 -1.24 -4.94 118.16 113.17 2hqi n LYS 51 Ca 0.21 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.65 2hqi n LYS 51 Cb 1.29 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 34.48 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 -3.83 7.82 0.00 -1.18 -4.41 120.51 118.91 2hqi n ALA 52 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 2hqi n ALA 52 Cb 0.42 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.87 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 2.00 -0.08 -0.02 0.00 0.15 -1.26 -4.05 113.70 110.44 2hqi s SER 53 Ca 0.00 -0.72 -0.21 0.00 0.70 0.00 0.00 55.95 55.72 2hqi s SER 53 Cb 0.00 0.62 -0.14 0.00 -1.71 0.00 0.00 66.02 64.79 2hqi s SER 53 CO 0.00 -1.20 0.95 0.58 1.20 0.00 0.00 173.24 174.77 2hqi h VAL 54 N 2.00 0.40 0.00 4.45 2.07 -1.97 0.25 116.25 123.45 2hqi h VAL 54 Ca -0.27 -0.67 -0.02 0.00 0.82 0.00 0.00 66.70 66.56 2hqi h VAL 54 Cb 1.23 0.62 -0.00 0.00 -1.52 0.00 0.00 31.29 31.62 2hqi h VAL 54 CO 0.33 0.08 -0.10 1.56 0.02 0.00 0.00 177.57 179.46 2hqi h GLN 55 N -0.99 0.00 0.19 1.57 1.08 -1.97 0.29 115.11 115.29 2hqi h GLN 55 Ca -0.05 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.14 2hqi h GLN 55 Cb 0.53 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.96 2hqi h GLN 55 CO 0.08 0.10 -0.09 0.87 -0.95 0.00 0.00 178.83 178.84 2hqi h LYS 56 N 0.00 -0.25 -0.49 1.46 1.79 -1.91 -0.60 116.57 116.57 2hqi h LYS 56 Ca -0.00 0.02 -0.01 0.00 -2.18 0.00 0.00 60.65 58.47 2hqi h LYS 56 Cb 0.27 0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 30.95 2hqi h LYS 56 CO 0.01 -0.07 0.25 1.37 -1.08 0.00 0.00 179.45 179.93 2hqi h LEU 57 N -1.04 0.63 0.22 2.94 8.10 -0.37 -2.53 115.31 123.25 2hqi h LEU 57 Ca -0.03 -0.11 -0.01 0.00 0.11 0.00 0.00 57.88 57.84 2hqi h LEU 57 Cb 0.29 -0.16 0.00 0.00 -0.44 0.00 0.00 40.66 40.35 2hqi h LEU 57 CO 0.04 0.57 -0.11 0.71 -4.11 0.00 0.00 178.44 175.54 2hqi h THR 58 N 0.65 0.79 -0.69 0.15 1.35 -0.53 -0.27 112.91 114.36 2hqi h THR 58 Ca 0.17 -0.04 0.13 0.00 -0.55 0.00 0.00 66.41 66.12 2hqi h THR 58 Cb 0.09 0.82 -0.13 0.00 -1.73 0.00 0.00 68.15 67.20 2hqi h THR 58 CO -0.02 0.01 -0.24 0.50 -0.25 0.00 0.00 175.52 175.52 2hqi h LYS 59 N -0.32 -0.05 -0.66 4.72 1.63 -0.90 1.45 116.57 122.44 2hqi h LYS 59 Ca -0.03 0.00 0.01 0.00 -0.85 0.00 0.00 60.65 59.78 2hqi h LYS 59 Cb 0.24 0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 31.85 2hqi h LYS 59 CO 0.05 -0.04 0.43 0.00 -3.45 0.00 0.00 179.45 176.45 2hqi h ALA 60 N 1.47 0.83 -0.60 5.00 0.00 -1.11 0.06 119.26 124.93 2hqi h ALA 60 Ca 0.31 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 2hqi h ALA 60 Cb 0.54 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 2hqi h ALA 60 CO -0.73 0.27 0.34 1.79 0.00 0.00 0.00 179.25 180.91 2hqi h THR 61 N 0.89 1.19 -0.79 0.00 1.35 0.20 -2.03 112.91 113.72 2hqi h THR 61 Ca 0.24 -0.45 -0.01 0.00 -0.55 0.00 0.00 66.41 65.64 2hqi h THR 61 Cb -0.09 0.41 -0.04 0.00 -1.73 0.00 0.00 68.15 66.69 2hqi h THR 61 CO -0.05 0.20 0.45 0.00 -0.25 0.00 0.00 175.52 175.87 2hqi h ALA 62 N 1.16 1.30 0.00 6.62 0.00 0.24 -0.05 119.26 128.54 2hqi h ALA 62 Ca 0.21 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2hqi h ALA 62 Cb 0.02 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.49 2hqi h ALA 62 CO -0.04 0.58 0.00 -3.47 0.00 0.00 0.00 179.25 176.32 2hqi n ASP 63 N -4.36 0.00 -1.09 0.00 2.03 -0.06 -1.39 116.55 111.67 2hqi n ASP 63 Ca 0.08 0.33 0.12 0.00 0.52 0.00 0.00 54.79 55.84 2hqi n ASP 63 Cb 0.09 -0.40 0.22 0.00 -0.72 0.00 0.00 41.12 40.30 2hqi n ASP 63 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2hqi n ALA 64 N -1.40 2.43 -0.14 -1.67 0.00 -0.05 -4.90 120.51 114.78 2hqi n ALA 64 Ca 0.04 -0.93 0.00 0.00 0.00 0.00 0.00 53.44 52.55 2hqi n ALA 64 Cb 0.10 -0.89 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 1.47 0.62 2.90 0.00 0.00 -0.49 -5.01 105.19 104.68 2hqi n GLY 65 Ca 0.19 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.06 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 -2.35 -0.41 0.00 1.61 1.51 -1.08 -4.92 117.35 111.71 2hqi s TYR 66 Ca 0.00 0.68 0.00 0.00 -1.01 0.00 0.00 57.07 56.74 2hqi s TYR 66 Cb 0.00 -0.15 0.00 0.00 -0.11 0.00 0.00 41.96 41.70 2hqi s TYR 66 CO 0.00 -0.48 0.00 -0.35 -1.11 0.00 0.00 175.55 173.61 2hqi n PRO 67 N 5.34 3.48 -2.73 -1.71 -0.04 -1.25 -2.78 135.00 135.31 2hqi n PRO 67 Ca -0.06 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.37 2hqi n PRO 67 Cb 0.50 0.00 0.02 0.00 -0.04 0.00 0.00 33.50 33.97 2hqi n PRO 67 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2hqi n SER 68 N 0.00 -1.21 -2.07 3.54 7.64 -1.26 -4.33 113.62 115.93 2hqi n SER 68 Ca 0.00 -1.76 -0.06 0.00 1.01 0.00 0.00 58.87 58.06 2hqi n SER 68 Cb 0.00 1.99 0.00 0.00 -1.01 0.00 0.00 64.21 65.19 2hqi n SER 68 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2hqi n SER 69 N -1.18 -1.14 -4.93 6.43 7.64 -0.40 -4.85 113.62 115.18 2hqi n SER 69 Ca -0.03 -1.98 -0.29 0.00 1.01 0.00 0.00 58.87 57.58 2hqi n SER 69 Cb 0.35 1.96 -0.04 0.00 -1.01 0.00 0.00 64.21 65.47 2hqi n SER 69 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2hqi s VAL 70 N -2.54 5.35 -0.21 0.44 0.11 -1.26 -1.70 120.40 120.59 2hqi s VAL 70 Ca 0.12 -0.52 -0.13 0.00 -2.93 0.00 0.00 61.98 58.52 2hqi s VAL 70 Cb -0.02 -3.69 0.06 0.00 -1.53 0.00 0.00 36.38 31.21 2hqi s VAL 70 CO 0.09 0.02 0.52 -0.75 -3.33 0.00 0.00 175.10 171.64 2hqi s LYS 71 N -2.87 0.53 0.00 1.54 2.20 0.88 -4.41 119.74 117.60 2hqi s LYS 71 Ca 0.35 0.89 0.06 0.00 -0.36 0.00 0.00 55.97 56.92 2hqi s LYS 71 Cb -0.12 0.10 0.05 0.00 -1.51 0.00 0.00 37.83 36.35 2hqi s LYS 71 CO 0.28 -0.13 0.69 1.04 -0.36 0.00 0.00 175.35 176.87