#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 0.05 -3.53 0.00 5.66 -1.26 -4.35 114.28 110.85 2hqi n THR 2 Ca 0.00 -0.01 -0.08 0.00 -3.05 0.00 0.00 64.05 60.91 2hqi n THR 2 Cb 0.00 -0.51 -0.02 0.00 -1.55 0.00 0.00 70.33 68.25 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 1.40 0.99 -0.29 1.09 -0.21 0.41 -4.76 119.66 118.30 2hqi s GLN 3 Ca 0.94 -0.40 0.02 0.00 0.02 0.00 0.00 55.36 55.94 2hqi s GLN 3 Cb -1.22 0.43 0.08 0.00 1.00 0.00 0.00 33.01 33.31 2hqi s GLN 3 CO 0.62 -0.44 0.01 -0.08 -2.12 0.00 0.00 175.29 173.28 2hqi s THR 4 N -3.30 1.73 0.00 -0.19 -1.32 -1.26 -1.22 115.64 110.08 2hqi s THR 4 Ca 0.05 -1.72 0.00 0.00 -1.21 0.00 0.00 61.69 58.82 2hqi s THR 4 Cb -0.01 -2.14 0.00 0.00 -1.51 0.00 0.00 72.50 68.83 2hqi s THR 4 CO -0.08 -0.40 0.00 0.52 -2.21 0.00 0.00 174.62 172.45 2hqi n VAL 5 N 4.53 0.00 -3.47 5.08 0.31 -0.86 -4.96 118.33 118.96 2hqi n VAL 5 Ca -0.04 0.00 -0.37 0.00 -0.01 0.00 0.00 64.34 63.92 2hqi n VAL 5 Cb 0.43 0.00 -0.07 0.00 -0.91 0.00 0.00 33.84 33.29 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 -2.89 5.26 -0.08 2.52 2.01 -0.49 -1.70 115.64 120.27 2hqi s THR 6 Ca 0.00 0.67 -0.01 0.00 0.31 0.00 0.00 61.69 62.67 2hqi s THR 6 Cb 0.00 -3.69 -0.03 0.00 0.01 0.00 0.00 72.50 68.79 2hqi s THR 6 CO 0.00 0.38 -0.03 -0.76 -0.69 0.00 0.00 174.62 173.52 2hqi s LEU 7 N 0.44 3.39 0.09 4.42 1.02 0.74 0.26 118.68 129.04 2hqi s LEU 7 Ca 0.20 0.06 -0.25 0.00 0.02 0.00 0.00 54.13 54.15 2hqi s LEU 7 Cb -0.14 -1.76 -0.06 0.00 0.02 0.00 0.00 46.19 44.25 2hqi s LEU 7 CO 0.06 0.36 0.78 0.00 0.02 0.00 0.00 176.35 177.56 2hqi s ALA 8 N -0.77 3.40 -0.31 4.21 0.00 -0.40 0.19 121.76 128.08 2hqi s ALA 8 Ca 0.12 0.32 -0.05 0.00 0.00 0.00 0.00 51.96 52.35 2hqi s ALA 8 Cb -0.11 -2.99 0.03 0.00 0.00 0.00 0.00 23.12 20.05 2hqi s ALA 8 CO 0.02 0.15 0.05 0.08 0.00 0.00 0.00 175.76 176.06 2hqi s VAL 9 N -0.46 3.52 1.15 0.00 1.01 -1.25 0.16 120.40 124.53 2hqi s VAL 9 Ca 0.38 -1.09 -0.14 0.00 0.00 0.00 0.00 61.98 61.13 2hqi s VAL 9 Cb -0.22 -2.94 0.27 0.00 0.00 0.00 0.00 36.38 33.50 2hqi s VAL 9 CO 0.24 -0.06 1.04 -2.84 0.00 0.00 0.00 175.10 173.48 2hqi s PRO 10 N 1.38 -0.81 0.00 2.72 0.02 -1.23 -3.82 135.00 133.25 2hqi s PRO 10 Ca -0.01 0.62 0.00 0.00 0.02 0.00 0.00 61.00 61.62 2hqi s PRO 10 Cb -0.19 -1.58 0.00 0.00 0.02 0.00 0.00 34.50 32.75 2hqi s PRO 10 CO 0.01 -3.59 0.00 0.41 -0.33 0.00 0.00 177.00 173.50 2hqi n GLY 11 N 0.23 2.33 5.04 0.52 0.00 -1.26 -4.19 105.19 107.86 2hqi n GLY 11 Ca 0.04 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.05 1.61 2.81 -1.25 -0.46 117.12 119.78 2hqi n MET 12 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 2hqi n MET 12 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.51 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 0.24 -0.18 2.03 5.66 -1.26 -4.62 114.28 116.15 2hqi n THR 13 Ca 0.00 -0.25 0.30 0.00 -3.05 0.00 0.00 64.05 61.05 2hqi n THR 13 Cb 0.00 0.82 0.69 0.00 -1.55 0.00 0.00 70.33 70.30 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 -2.53 0.00 -2.78 0.00 0.00 -1.26 -4.95 120.51 108.99 2hqi n ALA 15 Ca 0.20 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.55 2hqi n ALA 15 Cb 1.12 0.00 0.05 0.00 0.00 0.00 0.00 19.45 20.62 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 -1.08 0.05 0.00 0.00 -1.26 -4.96 120.51 113.27 2hqi n ALA 16 Ca 0.00 -0.03 -0.22 0.00 0.00 0.00 0.00 53.44 53.19 2hqi n ALA 16 Cb 0.00 -1.57 -0.15 0.00 0.00 0.00 0.00 19.45 17.73 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 -0.07 0.00 -0.80 0.00 0.14 -1.86 -2.68 132.00 126.73 2hqi h PRO 18 Ca -0.32 0.00 0.13 0.00 0.14 0.00 0.00 66.00 65.95 2hqi h PRO 18 Cb 1.95 0.00 -0.09 0.00 0.14 0.00 0.00 31.00 33.01 2hqi h PRO 18 CO 0.14 0.09 0.40 0.97 0.14 0.00 0.00 178.00 179.73 2hqi h ILE 19 N 0.00 0.76 0.13 -3.56 2.10 -1.83 -1.21 117.51 113.90 2hqi h ILE 19 Ca -0.00 -0.21 -0.29 0.00 1.08 0.00 0.00 64.86 65.45 2hqi h ILE 19 Cb 0.42 0.11 0.00 0.00 -1.09 0.00 0.00 36.82 36.26 2hqi h ILE 19 CO 0.01 0.11 -1.33 0.74 -1.08 0.00 0.00 178.15 176.60 2hqi h THR 20 N 0.60 1.40 -0.66 2.19 2.02 -1.68 -3.30 112.91 113.48 2hqi h THR 20 Ca 0.42 -2.98 0.14 0.00 0.77 0.00 0.00 66.41 64.76 2hqi h THR 20 Cb 0.55 2.91 -0.10 0.00 -1.74 0.00 0.00 68.15 69.77 2hqi h THR 20 CO -0.34 0.87 0.12 0.58 0.37 0.00 0.00 175.52 177.12 2hqi h VAL 21 N 0.08 0.55 -0.28 3.16 2.07 -1.01 0.54 116.25 121.34 2hqi h VAL 21 Ca -0.17 -0.08 0.03 0.00 0.82 0.00 0.00 66.70 67.31 2hqi h VAL 21 Cb 1.99 0.30 -0.05 0.00 -1.52 0.00 0.00 31.29 32.02 2hqi h VAL 21 CO 0.20 0.04 -0.29 0.50 0.02 0.00 0.00 177.57 178.03 2hqi h LYS 22 N 0.23 -0.15 -0.59 1.57 3.64 -1.43 0.20 116.57 120.02 2hqi h LYS 22 Ca 0.36 0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.82 2hqi h LYS 22 Cb 0.59 0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 32.38 2hqi h LYS 22 CO -0.48 -0.10 0.27 0.87 -2.27 0.00 0.00 179.45 177.74 2hqi h LYS 23 N -0.16 0.49 -0.95 1.90 6.56 -1.54 -1.28 116.57 121.59 2hqi h LYS 23 Ca 0.05 -0.03 0.26 0.00 -1.06 0.00 0.00 60.65 59.87 2hqi h LYS 23 Cb 0.29 -0.11 -0.17 0.00 -0.57 0.00 0.00 32.23 31.67 2hqi h LYS 23 CO -0.35 0.32 0.09 0.00 -2.06 0.00 0.00 179.45 177.45 2hqi h ALA 24 N 1.36 1.20 -0.65 3.86 0.00 0.11 2.09 119.26 127.22 2hqi h ALA 24 Ca 0.28 0.31 0.00 0.00 0.00 0.00 0.00 54.91 55.50 2hqi h ALA 24 Cb 0.26 0.52 0.00 0.00 0.00 0.00 0.00 17.79 18.57 2hqi h ALA 24 CO -0.23 -0.56 0.00 1.28 0.00 0.00 0.00 179.25 179.74 2hqi n LEU 25 N -5.42 0.18 0.28 0.00 4.77 -0.50 -0.95 117.00 115.35 2hqi n LEU 25 Ca 0.23 0.76 0.09 0.00 -0.03 0.00 0.00 56.01 57.05 2hqi n LEU 25 Cb 0.74 -0.39 0.46 0.00 -2.33 0.00 0.00 43.42 41.90 2hqi n LEU 25 CO -0.03 -0.39 0.98 0.77 -1.33 0.00 0.00 177.39 177.39 2hqi h SER 26 N 0.00 0.00 -0.02 -1.43 4.64 -1.10 0.94 113.55 116.59 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 -0.28 0.29 -0.87 0.00 0.00 176.83 175.97 2hqi n LYS 27 N -2.50 1.65 -0.46 4.77 4.76 0.70 -4.80 118.16 122.28 2hqi n LYS 27 Ca -0.01 -1.35 0.00 0.00 -2.87 0.00 0.00 58.31 54.08 2hqi n LYS 27 Cb 0.53 -1.45 0.00 0.00 -1.84 0.00 0.00 35.03 32.27 2hqi n LYS 27 CO 0.00 0.00 0.00 1.55 -1.37 0.00 0.00 177.40 177.58 2hqi n VAL 28 N 0.51 0.00 -2.95 -0.18 3.14 0.33 -4.99 118.33 114.18 2hqi n VAL 28 Ca 0.11 0.00 -0.32 0.00 -2.96 0.00 0.00 64.34 61.17 2hqi n VAL 28 Cb 0.51 -1.47 -0.05 0.00 -1.06 0.00 0.00 33.84 31.76 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 -1.96 3.95 0.00 1.45 2.02 -1.26 -3.68 118.70 119.23 2hqi s GLU 29 Ca 0.00 0.68 0.00 0.00 0.02 0.00 0.00 54.97 55.67 2hqi s GLU 29 Cb 0.00 -2.37 0.00 0.00 0.10 0.00 0.00 34.13 31.86 2hqi s GLU 29 CO 0.00 0.04 0.00 0.41 0.02 0.00 0.00 175.26 175.73 2hqi n GLY 30 N -0.79 2.50 2.89 -1.39 0.00 -1.19 -4.34 105.19 102.88 2hqi n GLY 30 Ca 0.04 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.61 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 0.87 0.00 1.61 0.31 -1.24 0.13 118.33 118.00 2hqi n VAL 31 Ca 0.00 -0.22 0.00 0.00 -0.01 0.00 0.00 64.34 64.11 2hqi n VAL 31 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 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 1.48 -0.00 -3.81 4.52 2.88 -0.84 -4.67 113.62 113.18 2hqi n SER 32 Ca 0.16 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.58 2hqi n SER 32 Cb 0.14 0.12 -0.11 0.00 -0.75 0.00 0.00 64.21 63.61 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 0.40 -0.08 -1.46 2.20 -1.09 -4.99 119.74 112.71 2hqi s LYS 33 Ca 0.00 0.05 -0.03 0.00 -0.36 0.00 0.00 55.97 55.63 2hqi s LYS 33 Cb 0.00 0.18 0.05 0.00 -1.51 0.00 0.00 37.83 36.55 2hqi s LYS 33 CO 0.00 -0.08 0.16 0.08 -0.36 0.00 0.00 175.35 175.15 2hqi s VAL 34 N -0.52 -0.25 -0.50 4.02 1.01 -1.26 -0.47 120.40 122.43 2hqi s VAL 34 Ca -0.06 0.35 0.03 0.00 0.00 0.00 0.00 61.98 62.30 2hqi s VAL 34 Cb -0.04 -0.29 0.14 0.00 0.00 0.00 0.00 36.38 36.19 2hqi s VAL 34 CO 0.01 0.15 0.28 -1.81 0.00 0.00 0.00 175.10 173.73 2hqi s ASP 35 N 2.24 3.88 0.08 3.32 1.01 0.79 -4.97 116.67 123.02 2hqi s ASP 35 Ca 0.02 -2.92 0.02 0.00 0.71 0.00 0.00 52.55 50.38 2hqi s ASP 35 Cb -0.12 -1.26 -0.04 0.00 1.01 0.00 0.00 42.92 42.51 2hqi s ASP 35 CO -0.06 -0.23 -0.07 -0.69 0.21 0.00 0.00 175.17 174.33 2hqi s VAL 36 N -0.08 0.66 0.02 -1.27 1.01 -1.25 0.15 120.40 119.64 2hqi s VAL 36 Ca 0.19 -1.68 -0.28 0.00 0.00 0.00 0.00 61.98 60.21 2hqi s VAL 36 Cb -0.21 -1.37 0.10 0.00 0.00 0.00 0.00 36.38 34.90 2hqi s VAL 36 CO -0.03 -0.72 0.90 -0.83 0.00 0.00 0.00 175.10 174.41 2hqi s GLY 37 N -2.61 -0.43 0.00 4.51 0.00 -0.59 -4.76 107.32 103.44 2hqi s GLY 37 Ca 0.05 0.86 0.21 0.00 0.00 0.00 0.00 44.72 45.84 2hqi s GLY 37 CO -0.03 0.28 0.96 0.33 0.00 0.00 0.00 173.10 174.64 2hqi n PHE 38 N -0.28 0.00 -0.30 1.90 7.35 -1.26 -2.97 117.46 121.90 2hqi n PHE 38 Ca -0.08 0.00 0.34 0.00 -0.76 0.00 0.00 57.45 56.95 2hqi n PHE 38 Cb 0.62 0.00 0.67 0.00 0.35 0.00 0.00 39.48 41.11 2hqi n PHE 38 CO 0.00 0.00 0.00 1.49 -0.76 0.00 0.00 176.76 177.49 2hqi h GLU 39 N 1.42 0.00 0.00 -4.13 4.81 -1.95 -3.37 114.58 111.37 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 0.62 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.00 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 -3.73 0.00 0.00 1.92 5.02 -1.26 -5.05 118.16 115.06 2hqi n LYS 40 Ca 0.26 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.55 2hqi n LYS 40 Cb 1.40 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 36.41 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 -0.83 0.00 -3.72 1.97 0.00 -1.25 -4.22 116.66 108.61 2hqi n ARG 41 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 57.85 57.73 2hqi n ARG 41 Cb 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 32.46 32.36 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 0.43 -0.53 2.89 2.02 -1.16 -3.88 118.70 118.47 2hqi s GLU 42 Ca 0.00 0.63 0.04 0.00 0.02 0.00 0.00 54.97 55.66 2hqi s GLU 42 Cb 0.00 0.13 0.14 0.00 0.10 0.00 0.00 34.13 34.50 2hqi s GLU 42 CO 0.00 -0.09 0.29 0.00 0.02 0.00 0.00 175.26 175.48 2hqi s ALA 43 N 0.65 3.15 -0.29 5.21 0.00 0.52 -1.54 121.76 129.46 2hqi s ALA 43 Ca -0.04 -3.23 -0.25 0.00 0.00 0.00 0.00 51.96 48.44 2hqi s ALA 43 Cb -0.05 -2.10 0.00 0.00 0.00 0.00 0.00 23.12 20.97 2hqi s ALA 43 CO -0.04 -2.04 0.87 0.08 0.00 0.00 0.00 175.76 174.63 2hqi s VAL 44 N -0.36 4.74 0.17 0.00 1.01 0.41 0.26 120.40 126.62 2hqi s VAL 44 Ca 0.19 1.41 -0.20 0.00 0.00 0.00 0.00 61.98 63.38 2hqi s VAL 44 Cb -0.22 -4.21 0.05 0.00 0.00 0.00 0.00 36.38 32.00 2hqi s VAL 44 CO -0.03 -0.26 0.55 0.68 0.00 0.00 0.00 175.10 176.03 2hqi s VAL 45 N 3.09 0.02 -0.37 2.92 -7.23 -0.69 0.28 120.40 118.42 2hqi s VAL 45 Ca 0.36 -0.40 0.02 0.00 -1.81 0.00 0.00 61.98 60.15 2hqi s VAL 45 Cb -0.14 -1.26 0.11 0.00 0.56 0.00 0.00 36.38 35.66 2hqi s VAL 45 CO 0.12 -0.10 0.14 0.28 -0.31 0.00 0.00 175.10 175.22 2hqi s THR 46 N -3.81 1.62 -0.45 5.32 -1.32 0.37 -2.04 115.64 115.35 2hqi s THR 46 Ca 0.04 -2.18 -0.13 0.00 -1.21 0.00 0.00 61.69 58.21 2hqi s THR 46 Cb -0.01 -2.18 0.07 0.00 -1.51 0.00 0.00 72.50 68.87 2hqi s THR 46 CO -0.09 -0.72 0.34 0.72 -2.21 0.00 0.00 174.62 172.66 2hqi s PHE 47 N 0.88 3.28 -1.46 9.09 -0.71 -0.36 -1.99 117.98 126.71 2hqi s PHE 47 Ca 0.13 -1.14 -0.08 0.00 -1.04 0.00 0.00 56.93 54.81 2hqi s PHE 47 Cb -0.21 -3.06 0.02 0.00 -1.21 0.00 0.00 43.02 38.57 2hqi s PHE 47 CO -0.11 -0.81 2.65 -0.40 -1.34 0.00 0.00 175.22 175.21 2hqi n ASP 48 N 5.09 8.35 0.00 1.98 5.75 0.34 -0.44 116.55 137.63 2hqi n ASP 48 Ca -0.12 -2.88 0.00 0.00 -0.01 0.00 0.00 54.79 51.79 2hqi n ASP 48 Cb 0.44 -1.45 0.00 0.00 -1.03 0.00 0.00 41.12 39.07 2hqi n ASP 48 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 2hqi n ASP 49 N 2.61 0.00 -2.47 -1.12 5.68 -1.26 -4.47 116.55 115.52 2hqi n ASP 49 Ca 0.70 0.00 -0.01 0.00 -0.50 0.00 0.00 54.79 54.98 2hqi n ASP 49 Cb 0.24 0.00 -0.00 0.00 -1.14 0.00 0.00 41.12 40.22 2hqi n ASP 49 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 2hqi n THR 50 N -1.21 0.00 0.00 2.12 -2.24 -1.26 -2.55 114.28 109.14 2hqi n THR 50 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2hqi n THR 50 Cb 0.00 -0.01 0.00 0.00 -2.10 0.00 0.00 70.33 68.22 2hqi n THR 50 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2hqi n LYS 51 N -2.45 0.00 0.00 -0.78 4.76 -1.26 -4.93 118.16 113.51 2hqi n LYS 51 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 2hqi n LYS 51 Cb 0.48 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.67 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 -3.63 7.82 0.00 -1.06 -5.03 120.51 118.61 2hqi n ALA 52 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.45 2hqi n ALA 52 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 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 1.00 -0.07 0.09 0.00 0.15 -1.26 -4.46 113.70 109.15 2hqi s SER 53 Ca 0.00 -0.16 -0.36 0.00 0.70 0.00 0.00 55.95 56.14 2hqi s SER 53 Cb 0.00 0.19 -0.17 0.00 -1.71 0.00 0.00 66.02 64.33 2hqi s SER 53 CO 0.00 -0.35 1.56 0.58 1.20 0.00 0.00 173.24 176.23 2hqi h VAL 54 N 2.00 0.00 -0.46 4.45 2.07 -1.95 0.77 116.25 123.13 2hqi h VAL 54 Ca -0.29 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.36 2hqi h VAL 54 Cb 1.20 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.96 2hqi h VAL 54 CO 0.28 0.00 0.34 1.56 0.02 0.00 0.00 177.57 179.77 2hqi h GLN 55 N -0.96 0.00 0.35 1.57 4.20 -1.96 0.74 115.11 119.05 2hqi h GLN 55 Ca -0.05 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.64 2hqi h GLN 55 Cb 0.86 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.64 2hqi h GLN 55 CO -0.12 0.00 -0.17 0.87 -0.67 0.00 0.00 178.83 178.74 2hqi h LYS 56 N 0.00 -0.45 0.14 1.46 1.57 -1.24 -0.57 116.57 117.48 2hqi h LYS 56 Ca 0.22 0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 59.02 2hqi h LYS 56 Cb 0.90 0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.31 2hqi h LYS 56 CO -0.00 -0.18 -0.07 1.37 -0.57 0.00 0.00 179.45 180.00 2hqi h LEU 57 N -1.03 -0.16 -1.25 2.94 8.10 0.12 -2.53 115.31 121.50 2hqi h LEU 57 Ca -0.05 -0.18 0.12 0.00 0.11 0.00 0.00 57.88 57.88 2hqi h LEU 57 Cb 0.49 0.04 -0.07 0.00 -0.44 0.00 0.00 40.66 40.68 2hqi h LEU 57 CO 0.08 0.09 0.57 0.71 -4.11 0.00 0.00 178.44 175.78 2hqi h THR 58 N -0.41 0.91 0.36 0.15 1.35 0.35 -1.87 112.91 113.74 2hqi h THR 58 Ca -0.02 -0.27 -0.01 0.00 -0.55 0.00 0.00 66.41 65.56 2hqi h THR 58 Cb 0.33 0.06 -0.01 0.00 -1.73 0.00 0.00 68.15 66.80 2hqi h THR 58 CO 0.03 0.14 -0.24 0.11 -0.25 0.00 0.00 175.52 175.31 2hqi h LYS 59 N 0.78 -0.57 -0.44 4.72 1.79 -0.78 1.14 116.57 123.21 2hqi h LYS 59 Ca 0.42 0.04 0.09 0.00 -2.18 0.00 0.00 60.65 59.02 2hqi h LYS 59 Cb 0.55 0.13 -0.09 0.00 -1.58 0.00 0.00 32.23 31.24 2hqi h LYS 59 CO -0.19 -0.38 -0.14 0.00 -1.08 0.00 0.00 179.45 177.66 2hqi h ALA 60 N 0.01 0.24 -0.61 3.86 0.00 -0.95 0.13 119.26 121.93 2hqi h ALA 60 Ca -0.03 0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 2hqi h ALA 60 Cb 0.50 0.40 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 2hqi h ALA 60 CO 0.02 -0.48 0.09 0.00 0.00 0.00 0.00 179.25 178.88 2hqi h THR 61 N -0.04 1.26 0.00 0.00 1.03 -1.03 -1.43 112.91 112.70 2hqi h THR 61 Ca 0.21 -1.02 0.00 0.00 -0.01 0.00 0.00 66.41 65.60 2hqi h THR 61 Cb 0.37 0.72 0.00 0.00 -1.07 0.00 0.00 68.15 68.18 2hqi h THR 61 CO -0.48 0.38 0.00 0.00 -0.01 0.00 0.00 175.52 175.41 2hqi h ALA 62 N 1.02 1.00 0.00 0.00 0.00 0.33 -1.24 119.26 120.37 2hqi h ALA 62 Ca 0.19 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.95 2hqi h ALA 62 Cb 0.44 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 2hqi h ALA 62 CO 0.01 0.00 -0.69 0.22 0.00 0.00 0.00 179.25 178.80 2hqi h ASP 63 N 0.00 0.00 -0.25 0.00 3.58 0.31 -2.96 116.42 117.11 2hqi h ASP 63 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2hqi h ASP 63 Cb 0.11 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.16 2hqi h ASP 63 CO 0.00 0.69 0.00 0.00 -2.88 0.00 0.00 179.24 177.05 2hqi n ALA 64 N -2.34 2.48 0.00 -0.78 0.00 -0.47 -4.86 120.51 114.54 2hqi n ALA 64 Ca -0.00 -0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.00 2hqi n ALA 64 Cb 0.73 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 19.20 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 0.87 2.86 3.34 0.00 0.00 -1.12 -4.97 105.19 106.17 2hqi n GLY 65 Ca 0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.79 3.11 0.00 1.61 2.02 -1.21 -4.94 117.35 116.16 2hqi s TYR 66 Ca 0.00 -0.98 0.00 0.00 -0.37 0.00 0.00 57.07 55.72 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 -0.57 0.00 -0.35 -1.57 0.00 0.00 175.55 173.06 2hqi n PRO 67 N 4.84 3.87 -0.61 -1.71 -0.04 -1.25 -3.34 135.00 136.77 2hqi n PRO 67 Ca -0.15 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.31 2hqi n PRO 67 Cb 0.48 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.94 2hqi n PRO 67 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2hqi n SER 68 N 0.00 0.00 -3.26 3.54 3.41 -1.26 -3.52 113.62 112.53 2hqi n SER 68 Ca 0.00 -0.35 -0.05 0.00 -0.26 0.00 0.00 58.87 58.21 2hqi n SER 68 Cb 0.00 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 63.97 2hqi n SER 68 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2hqi s SER 69 N 0.47 -0.02 -0.04 4.04 0.15 0.43 -4.73 113.70 114.00 2hqi s SER 69 Ca 0.00 -0.80 -0.05 0.00 0.70 0.00 0.00 55.95 55.80 2hqi s SER 69 Cb 0.00 0.62 -0.04 0.00 -1.71 0.00 0.00 66.02 64.89 2hqi s SER 69 CO 0.00 -1.22 0.19 0.54 1.20 0.00 0.00 173.24 173.95 2hqi s VAL 70 N -2.34 5.43 -0.04 4.45 0.11 -1.26 -1.27 120.40 125.47 2hqi s VAL 70 Ca 0.19 0.03 -0.22 0.00 -2.93 0.00 0.00 61.98 59.04 2hqi s VAL 70 Cb -0.03 -3.51 0.05 0.00 -1.53 0.00 0.00 36.38 31.35 2hqi s VAL 70 CO 0.07 0.42 0.48 -0.75 -3.33 0.00 0.00 175.10 172.00 2hqi s LYS 71 N -1.62 0.84 0.00 1.54 2.36 0.74 -4.44 119.74 119.16 2hqi s LYS 71 Ca 0.24 0.04 0.16 0.00 -2.55 0.00 0.00 55.97 53.86 2hqi s LYS 71 Cb -0.13 0.39 0.13 0.00 -1.05 0.00 0.00 37.83 37.17 2hqi s LYS 71 CO 0.14 -0.25 1.02 0.94 1.55 0.00 0.00 175.35 178.75