#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hqi s THR 2 N 0.00 1.99 -0.19 0.00 -1.32 -1.26 -3.20 115.64 111.65 2hqi s THR 2 Ca 0.00 0.00 -0.01 0.00 -1.21 0.00 0.00 61.69 60.47 2hqi s THR 2 Cb 0.00 -2.29 0.05 0.00 -1.51 0.00 0.00 72.50 68.75 2hqi s THR 2 CO 0.00 0.00 -0.03 -1.10 -2.21 0.00 0.00 174.62 171.28 2hqi s GLN 3 N -4.74 1.28 -0.42 7.08 1.11 0.69 -4.75 119.66 119.90 2hqi s GLN 3 Ca 0.67 -0.64 0.05 0.00 0.01 0.00 0.00 55.36 55.45 2hqi s GLN 3 Cb -0.21 -2.21 0.18 0.00 -1.01 0.00 0.00 33.01 29.76 2hqi s GLN 3 CO 0.61 -0.54 0.42 -2.37 0.01 0.00 0.00 175.29 173.42 2hqi n THR 4 N 4.86 -1.00 -2.84 -0.19 5.66 -1.26 0.30 114.28 119.80 2hqi n THR 4 Ca -0.11 -3.17 0.00 0.00 -3.05 0.00 0.00 64.05 57.72 2hqi n THR 4 Cb 0.46 -1.32 0.00 0.00 -1.55 0.00 0.00 70.33 67.92 2hqi n THR 4 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 175.07 172.54 2hqi n VAL 5 N 2.67 0.00 -2.79 1.08 0.31 -0.77 -4.96 118.33 113.87 2hqi n VAL 5 Ca 0.27 0.00 -0.30 0.00 -0.01 0.00 0.00 64.34 64.30 2hqi n VAL 5 Cb 0.50 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 33.40 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 -2.86 4.77 0.00 2.52 2.01 0.37 -1.84 115.64 120.61 2hqi s THR 6 Ca 0.00 0.65 0.03 0.00 0.31 0.00 0.00 61.69 62.68 2hqi s THR 6 Cb 0.00 -3.74 -0.01 0.00 0.01 0.00 0.00 72.50 68.76 2hqi s THR 6 CO 0.00 -0.56 -0.09 -0.76 -0.69 0.00 0.00 174.62 172.52 2hqi s LEU 7 N -3.94 2.04 0.10 4.42 1.02 0.84 0.26 118.68 123.42 2hqi s LEU 7 Ca 0.52 -0.20 -0.25 0.00 0.02 0.00 0.00 54.13 54.22 2hqi s LEU 7 Cb -0.10 -0.42 -0.07 0.00 0.02 0.00 0.00 46.19 45.63 2hqi s LEU 7 CO 0.32 0.07 0.76 0.00 0.02 0.00 0.00 176.35 177.52 2hqi s ALA 8 N -0.33 3.42 -0.16 4.21 0.00 -0.47 -0.28 121.76 128.15 2hqi s ALA 8 Ca 0.02 0.30 -0.00 0.00 0.00 0.00 0.00 51.96 52.28 2hqi s ALA 8 Cb -0.04 -2.95 -0.00 0.00 0.00 0.00 0.00 23.12 20.12 2hqi s ALA 8 CO -0.00 0.18 -0.14 0.08 0.00 0.00 0.00 175.76 175.88 2hqi s VAL 9 N -0.58 2.78 0.63 0.00 1.01 -1.26 0.21 120.40 123.20 2hqi s VAL 9 Ca 0.37 -0.73 -0.10 0.00 0.00 0.00 0.00 61.98 61.52 2hqi s VAL 9 Cb -0.22 -2.19 -0.01 0.00 0.00 0.00 0.00 36.38 33.97 2hqi s VAL 9 CO 0.24 0.51 1.01 -2.84 0.00 0.00 0.00 175.10 174.01 2hqi s PRO 10 N 0.86 3.20 0.00 2.72 0.02 -1.24 -4.19 135.00 136.38 2hqi s PRO 10 Ca -0.04 0.46 0.00 0.00 0.02 0.00 0.00 61.00 61.44 2hqi s PRO 10 Cb -0.15 -2.12 0.00 0.00 0.02 0.00 0.00 34.50 32.25 2hqi s PRO 10 CO -0.00 -0.73 0.00 0.41 -0.33 0.00 0.00 177.00 176.35 2hqi n GLY 11 N -2.77 2.64 5.03 0.52 0.00 -1.26 -3.92 105.19 105.43 2hqi n GLY 11 Ca 0.05 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.43 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 -1.26 -0.76 117.12 119.52 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 0.09 -0.36 2.03 5.66 -1.26 -4.48 114.28 115.96 2hqi n THR 13 Ca 0.00 -0.11 0.37 0.00 -3.05 0.00 0.00 64.05 61.26 2hqi n THR 13 Cb 0.00 1.23 0.70 0.00 -1.55 0.00 0.00 70.33 70.71 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 -2.63 0.00 -3.07 0.00 0.00 -1.26 -4.95 120.51 108.59 2hqi n ALA 15 Ca 0.29 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.59 2hqi n ALA 15 Cb 1.48 0.00 0.07 0.00 0.00 0.00 0.00 19.45 21.00 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 -1.81 -0.01 0.00 0.00 -1.26 -4.97 120.51 112.45 2hqi n ALA 16 Ca 0.00 0.01 -0.00 0.00 0.00 0.00 0.00 53.44 53.45 2hqi n ALA 16 Cb 0.00 -3.07 -0.00 0.00 0.00 0.00 0.00 19.45 16.38 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 -0.40 0.00 -0.53 0.00 0.11 -1.84 -2.03 132.00 127.30 2hqi h PRO 18 Ca -0.00 0.00 0.11 0.00 0.11 0.00 0.00 66.00 66.21 2hqi h PRO 18 Cb 0.01 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 31.03 2hqi h PRO 18 CO 0.00 0.00 -0.03 0.97 -0.21 0.00 0.00 178.00 178.73 2hqi h ILE 19 N 0.00 0.55 0.17 4.15 2.10 -1.84 -1.51 117.51 121.12 2hqi h ILE 19 Ca 0.00 -0.03 -0.30 0.00 1.08 0.00 0.00 64.86 65.61 2hqi h ILE 19 Cb 0.54 0.45 0.02 0.00 -1.09 0.00 0.00 36.82 36.74 2hqi h ILE 19 CO 0.00 0.02 -1.32 0.74 -1.08 0.00 0.00 178.15 176.51 2hqi h THR 20 N 0.09 1.41 -0.92 2.19 2.02 -1.55 -3.25 112.91 112.90 2hqi h THR 20 Ca 0.27 -2.89 0.24 0.00 0.77 0.00 0.00 66.41 64.80 2hqi h THR 20 Cb 0.42 2.95 -0.13 0.00 -1.74 0.00 0.00 68.15 69.65 2hqi h THR 20 CO -0.47 0.85 0.40 0.58 0.37 0.00 0.00 175.52 177.25 2hqi h VAL 21 N 0.12 0.42 0.00 3.16 2.07 -1.30 0.03 116.25 120.74 2hqi h VAL 21 Ca -0.18 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.22 2hqi h VAL 21 Cb 2.03 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 31.82 2hqi h VAL 21 CO 0.23 0.07 0.00 1.17 0.02 0.00 0.00 177.57 179.06 2hqi n LYS 22 N -5.07 0.00 -0.32 1.57 4.81 -0.66 -1.28 118.16 117.21 2hqi n LYS 22 Ca 0.24 0.76 0.15 0.00 -0.87 0.00 0.00 58.31 58.59 2hqi n LYS 22 Cb 0.72 -1.49 0.34 0.00 0.02 0.00 0.00 35.03 34.62 2hqi n LYS 22 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 2hqi h LYS 23 N 0.00 0.49 -0.19 1.64 1.57 -1.51 -1.33 116.57 117.23 2hqi h LYS 23 Ca 0.00 -0.03 0.03 0.00 -1.87 0.00 0.00 60.65 58.78 2hqi h LYS 23 Cb 0.00 -0.11 -0.06 0.00 0.08 0.00 0.00 32.23 32.14 2hqi h LYS 23 CO 0.00 0.32 -0.51 0.00 -0.57 0.00 0.00 179.45 178.69 2hqi h ALA 24 N 1.71 -0.84 0.10 3.86 0.00 0.36 0.98 119.26 125.43 2hqi h ALA 24 Ca 0.60 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.48 2hqi h ALA 24 Cb 1.12 1.01 -0.05 0.00 0.00 0.00 0.00 17.79 19.88 2hqi h ALA 24 CO -0.49 -1.04 -0.45 -0.07 0.00 0.00 0.00 179.25 177.20 2hqi h LEU 25 N -0.50 -1.35 -0.09 0.00 3.38 -0.04 0.94 115.31 117.65 2hqi h LEU 25 Ca 0.04 0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.16 2hqi h LEU 25 Cb 0.61 0.51 0.00 0.00 0.09 0.00 0.00 40.66 41.87 2hqi h LEU 25 CO -0.45 -0.51 0.00 -0.24 0.09 0.00 0.00 178.44 177.34 2hqi n SER 26 N -5.47 0.09 0.00 -0.43 2.88 -1.00 -3.65 113.62 106.04 2hqi n SER 26 Ca -0.07 -1.89 0.00 0.00 -1.33 0.00 0.00 58.87 55.57 2hqi n SER 26 Cb 0.39 -0.04 0.00 0.00 -0.75 0.00 0.00 64.21 63.81 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 -0.45 2.40 0.00 -1.46 2.85 0.33 -4.82 118.16 117.01 2hqi n LYS 27 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 2hqi n LYS 27 Cb 0.02 -0.90 0.00 0.00 -0.65 0.00 0.00 35.03 33.50 2hqi n LYS 27 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 2hqi n VAL 28 N -1.85 0.00 -3.06 0.58 0.31 0.31 -4.90 118.33 109.71 2hqi n VAL 28 Ca 0.00 0.00 -0.36 0.00 -0.01 0.00 0.00 64.34 63.97 2hqi n VAL 28 Cb 0.40 -0.46 -0.06 0.00 -0.91 0.00 0.00 33.84 32.81 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 -0.88 4.29 0.00 5.55 2.02 -1.26 -3.88 118.70 124.54 2hqi s GLU 29 Ca 0.00 0.92 0.00 0.00 0.02 0.00 0.00 54.97 55.91 2hqi s GLU 29 Cb 0.00 -2.87 0.00 0.00 0.10 0.00 0.00 34.13 31.36 2hqi s GLU 29 CO 0.00 0.38 0.00 0.41 0.02 0.00 0.00 175.26 176.07 2hqi n GLY 30 N 0.71 0.38 3.05 -1.39 0.00 -1.24 -4.42 105.19 102.27 2hqi n GLY 30 Ca -0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.64 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 0.01 0.00 1.61 0.31 -1.25 0.25 118.33 117.27 2hqi n VAL 31 Ca 0.00 -0.48 0.00 0.00 -0.01 0.00 0.00 64.34 63.85 2hqi n VAL 31 Cb 0.00 -0.05 0.00 0.00 -0.91 0.00 0.00 33.84 32.88 2hqi n VAL 31 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 2hqi n SER 32 N 3.07 0.00 -3.44 4.52 7.64 -0.44 -4.45 113.62 120.51 2hqi n SER 32 Ca -0.01 0.00 -0.08 0.00 1.01 0.00 0.00 58.87 59.79 2hqi n SER 32 Cb 0.55 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.75 2hqi n SER 32 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 2hqi s LYS 33 N -0.97 1.99 -0.30 1.43 2.20 0.18 -4.94 119.74 119.33 2hqi s LYS 33 Ca 0.00 -1.19 -0.13 0.00 -0.36 0.00 0.00 55.97 54.29 2hqi s LYS 33 Cb 0.00 0.62 0.15 0.00 -1.51 0.00 0.00 37.83 37.09 2hqi s LYS 33 CO 0.00 -0.92 0.84 0.54 -0.36 0.00 0.00 175.35 175.45 2hqi s VAL 34 N -3.20 -0.72 -0.43 4.02 0.11 -1.26 -2.42 120.40 116.50 2hqi s VAL 34 Ca 0.13 0.00 0.02 0.00 -2.93 0.00 0.00 61.98 59.21 2hqi s VAL 34 Cb -0.06 -1.00 0.15 0.00 -1.53 0.00 0.00 36.38 33.95 2hqi s VAL 34 CO 0.09 0.00 0.29 -0.62 -3.33 0.00 0.00 175.10 171.53 2hqi s ASP 35 N 2.65 2.68 0.07 3.54 -1.08 0.82 -4.94 116.67 120.40 2hqi s ASP 35 Ca -0.04 -2.78 -0.13 0.00 -0.52 0.00 0.00 52.55 49.08 2hqi s ASP 35 Cb -0.09 -0.66 0.02 0.00 -1.46 0.00 0.00 42.92 40.73 2hqi s ASP 35 CO -0.18 -0.22 0.30 0.54 0.52 0.00 0.00 175.17 176.12 2hqi s VAL 36 N 0.29 0.09 0.11 1.11 0.11 -1.15 0.17 120.40 121.13 2hqi s VAL 36 Ca 0.24 -0.77 -0.26 0.00 -2.93 0.00 0.00 61.98 58.26 2hqi s VAL 36 Cb -0.11 -1.07 0.08 0.00 -1.53 0.00 0.00 36.38 33.74 2hqi s VAL 36 CO -0.09 -0.42 0.95 -0.83 -3.33 0.00 0.00 175.10 171.38 2hqi s GLY 37 N -2.39 -0.30 0.00 6.54 0.00 -0.74 -4.78 107.32 105.66 2hqi s GLY 37 Ca -0.01 0.37 0.20 0.00 0.00 0.00 0.00 44.72 45.28 2hqi s GLY 37 CO -0.07 0.09 0.98 0.33 0.00 0.00 0.00 173.10 174.43 2hqi n PHE 38 N -0.41 0.00 -0.41 1.90 7.35 -1.26 -3.02 117.46 121.61 2hqi n PHE 38 Ca -0.07 0.00 0.39 0.00 -0.76 0.00 0.00 57.45 57.01 2hqi n PHE 38 Cb 0.61 0.00 0.71 0.00 0.35 0.00 0.00 39.48 41.15 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 1.98 0.00 0.00 -4.13 4.81 -1.94 -3.35 114.58 111.95 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 0.65 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.03 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 -3.82 0.00 0.00 1.92 5.02 -1.26 -5.05 118.16 114.98 2hqi n LYS 40 Ca 0.31 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.60 2hqi n LYS 40 Cb 1.55 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 36.56 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 -0.50 0.00 -3.60 1.97 1.85 -1.26 -4.19 116.66 110.93 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 -0.07 0.00 -1.05 0.00 0.00 32.46 31.34 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 0.95 -0.14 2.89 2.02 -1.17 -4.04 118.70 119.20 2hqi s GLU 42 Ca 0.00 0.05 -0.03 0.00 0.02 0.00 0.00 54.97 55.01 2hqi s GLU 42 Cb 0.00 0.44 0.05 0.00 0.10 0.00 0.00 34.13 34.72 2hqi s GLU 42 CO 0.00 -0.30 0.04 0.00 0.02 0.00 0.00 175.26 175.02 2hqi s ALA 43 N -1.45 0.76 -0.18 5.21 0.00 0.61 -1.79 121.76 124.92 2hqi s ALA 43 Ca -0.11 -0.39 -0.05 0.00 0.00 0.00 0.00 51.96 51.40 2hqi s ALA 43 Cb -0.02 -0.98 -0.03 0.00 0.00 0.00 0.00 23.12 22.09 2hqi s ALA 43 CO 0.06 -0.91 0.01 0.08 0.00 0.00 0.00 175.76 175.00 2hqi s VAL 44 N 1.96 4.24 0.35 0.00 1.01 0.45 0.29 120.40 128.71 2hqi s VAL 44 Ca 0.02 -0.23 -0.15 0.00 0.00 0.00 0.00 61.98 61.62 2hqi s VAL 44 Cb -0.15 -2.89 0.04 0.00 0.00 0.00 0.00 36.38 33.37 2hqi s VAL 44 CO -0.07 0.46 0.71 0.68 0.00 0.00 0.00 175.10 176.88 2hqi s VAL 45 N 0.56 0.00 -0.26 2.92 -7.23 -0.77 0.29 120.40 115.91 2hqi s VAL 45 Ca -0.00 -1.11 -0.04 0.00 -1.81 0.00 0.00 61.98 59.02 2hqi s VAL 45 Cb -0.14 -2.64 0.09 0.00 0.56 0.00 0.00 36.38 34.26 2hqi s VAL 45 CO 0.02 0.00 0.12 -0.89 -0.31 0.00 0.00 175.10 174.04 2hqi s THR 46 N -2.82 -0.08 0.00 5.32 2.01 -1.02 -1.85 115.64 117.20 2hqi s THR 46 Ca 0.17 -0.63 0.00 0.00 0.31 0.00 0.00 61.69 61.54 2hqi s THR 46 Cb -0.04 -0.89 0.00 0.00 0.01 0.00 0.00 72.50 71.57 2hqi s THR 46 CO 0.12 -0.63 0.00 2.22 -0.69 0.00 0.00 174.62 175.64 2hqi n PHE 47 N 5.26 0.00 -3.48 4.92 1.16 0.88 0.50 117.46 126.69 2hqi n PHE 47 Ca -0.06 0.00 -0.12 0.00 -1.87 0.00 0.00 57.45 55.40 2hqi n PHE 47 Cb 0.44 0.00 -0.03 0.00 -1.61 0.00 0.00 39.48 38.27 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 -0.92 -0.51 0.00 5.98 1.47 0.70 0.25 116.67 123.63 2hqi s ASP 48 Ca 0.00 0.20 0.00 0.00 1.18 0.00 0.00 52.55 53.93 2hqi s ASP 48 Cb 0.00 0.50 0.00 0.00 -0.34 0.00 0.00 42.92 43.08 2hqi s ASP 48 CO 0.00 -0.73 0.62 0.47 0.68 0.00 0.00 175.17 176.21 2hqi n ASP 49 N 0.06 0.14 -0.39 2.11 9.92 -1.19 -3.70 116.55 123.49 2hqi n ASP 49 Ca -0.14 -1.38 0.31 0.00 -0.53 0.00 0.00 54.79 53.04 2hqi n ASP 49 Cb 0.62 -0.07 0.59 0.00 -0.64 0.00 0.00 41.12 41.62 2hqi n ASP 49 CO 0.00 0.00 0.00 0.71 0.13 0.00 0.00 177.20 178.04 2hqi h THR 50 N 0.00 0.28 0.00 -3.53 1.35 -1.90 -2.92 112.91 106.19 2hqi h THR 50 Ca 0.00 -0.07 0.00 0.00 -0.55 0.00 0.00 66.41 65.79 2hqi h THR 50 Cb 0.07 0.05 0.00 0.00 -1.73 0.00 0.00 68.15 66.54 2hqi h THR 50 CO 0.00 0.04 -0.11 0.29 -0.25 0.00 0.00 175.52 175.49 2hqi n LYS 51 N -4.69 0.00 0.00 4.72 5.02 -1.26 -5.04 118.16 116.92 2hqi n LYS 51 Ca 0.32 -0.44 0.00 0.00 -2.02 0.00 0.00 58.31 56.17 2hqi n LYS 51 Cb 1.20 -0.33 0.00 0.00 -0.02 0.00 0.00 35.03 35.88 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 -3.74 7.82 0.00 -1.10 -4.72 120.51 118.77 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 0.54 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.98 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 1.57 -0.24 0.09 0.00 0.15 -1.26 -4.06 113.70 109.94 2hqi s SER 53 Ca 0.00 -0.40 -0.26 0.00 0.70 0.00 0.00 55.95 55.99 2hqi s SER 53 Cb 0.00 0.55 -0.15 0.00 -1.71 0.00 0.00 66.02 64.72 2hqi s SER 53 CO 0.00 -1.00 1.69 0.58 1.20 0.00 0.00 173.24 175.71 2hqi h VAL 54 N 2.00 0.73 -0.68 4.45 2.07 -1.95 -1.29 116.25 121.59 2hqi h VAL 54 Ca -0.23 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.31 2hqi h VAL 54 Cb 1.24 0.73 -0.04 0.00 -1.52 0.00 0.00 31.29 31.71 2hqi h VAL 54 CO 0.26 0.00 0.45 -0.61 0.02 0.00 0.00 177.57 177.69 2hqi h GLN 55 N -0.32 0.84 0.70 1.57 4.15 -1.97 -0.99 115.11 119.10 2hqi h GLN 55 Ca -0.02 -0.05 -0.03 0.00 0.77 0.00 0.00 58.65 59.32 2hqi h GLN 55 Cb 0.27 -0.19 -0.00 0.00 0.21 0.00 0.00 27.48 27.76 2hqi h GLN 55 CO 0.01 0.56 -0.43 0.87 -1.93 0.00 0.00 178.83 177.91 2hqi h LYS 56 N 0.87 -1.02 0.45 1.69 1.79 -1.73 2.24 116.57 120.85 2hqi h LYS 56 Ca 0.26 0.07 -0.02 0.00 -2.18 0.00 0.00 60.65 58.78 2hqi h LYS 56 Cb -0.02 0.23 -0.01 0.00 -1.58 0.00 0.00 32.23 30.85 2hqi h LYS 56 CO -0.07 -0.68 -0.35 -0.07 -1.08 0.00 0.00 179.45 177.20 2hqi h LEU 57 N -1.06 -0.94 -0.47 2.94 3.38 -0.93 0.20 115.31 118.42 2hqi h LEU 57 Ca -0.09 0.07 0.08 0.00 0.09 0.00 0.00 57.88 58.03 2hqi h LEU 57 Cb 0.86 0.30 -0.07 0.00 0.09 0.00 0.00 40.66 41.84 2hqi h LEU 57 CO 0.09 -0.50 0.08 0.71 0.09 0.00 0.00 178.44 178.91 2hqi h THR 58 N -0.77 0.72 -0.35 0.22 1.35 -1.16 0.85 112.91 113.76 2hqi h THR 58 Ca -0.06 -0.07 0.07 0.00 -0.55 0.00 0.00 66.41 65.80 2hqi h THR 58 Cb 0.65 0.49 -0.06 0.00 -1.73 0.00 0.00 68.15 67.50 2hqi h THR 58 CO 0.01 0.04 -0.07 0.50 -0.25 0.00 0.00 175.52 175.75 2hqi h LYS 59 N 0.21 0.02 -0.69 4.72 1.63 0.40 0.94 116.57 123.81 2hqi h LYS 59 Ca 0.24 -0.00 -0.06 0.00 -0.85 0.00 0.00 60.65 59.97 2hqi h LYS 59 Cb 0.32 -0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 31.91 2hqi h LYS 59 CO -0.32 0.02 0.18 0.00 -3.45 0.00 0.00 179.45 175.88 2hqi h ALA 60 N 1.34 0.90 0.14 5.00 0.00 0.69 -0.90 119.26 126.43 2hqi h ALA 60 Ca 0.17 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 2hqi h ALA 60 Cb 0.25 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2hqi h ALA 60 CO -0.34 0.61 -0.10 1.79 0.00 0.00 0.00 179.25 181.20 2hqi h THR 61 N 1.02 0.77 0.00 0.00 1.35 0.27 -0.01 112.91 116.32 2hqi h THR 61 Ca 0.22 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.08 2hqi h THR 61 Cb 0.35 0.77 0.00 0.00 -1.73 0.00 0.00 68.15 67.54 2hqi h THR 61 CO -0.00 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.27 2hqi h ALA 62 N 0.61 1.00 0.00 6.62 0.00 0.11 -0.24 119.26 127.35 2hqi h ALA 62 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2hqi h ALA 62 Cb 0.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2hqi h ALA 62 CO -0.01 0.00 0.00 -3.47 0.00 0.00 0.00 179.25 175.77 2hqi n ASP 63 N -2.66 0.00 -0.48 0.00 -0.08 -0.03 -2.98 116.55 110.32 2hqi n ASP 63 Ca -0.01 -0.32 0.05 0.00 -1.51 0.00 0.00 54.79 53.00 2hqi n ASP 63 Cb 0.12 -0.23 0.10 0.00 2.34 0.00 0.00 41.12 43.45 2hqi n ASP 63 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2hqi n ALA 64 N -1.23 2.25 0.00 -1.67 0.00 -0.11 -4.96 120.51 114.80 2hqi n ALA 64 Ca 0.16 -0.96 0.00 0.00 0.00 0.00 0.00 53.44 52.65 2hqi n ALA 64 Cb 0.21 -0.35 0.00 0.00 0.00 0.00 0.00 19.45 19.32 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 0.40 3.03 3.26 0.00 0.00 -1.16 -4.99 105.19 105.73 2hqi n GLY 65 Ca 0.08 -0.49 -0.34 0.00 0.00 0.00 0.00 46.02 45.27 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 -1.86 2.90 0.00 1.61 2.02 -1.22 -4.93 117.35 115.87 2hqi s TYR 66 Ca 0.00 -1.12 0.00 0.00 -0.37 0.00 0.00 57.07 55.58 2hqi s TYR 66 Cb 0.00 -2.04 0.00 0.00 -0.40 0.00 0.00 41.96 39.52 2hqi s TYR 66 CO 0.00 -0.60 0.00 -0.35 -1.57 0.00 0.00 175.55 173.03 2hqi n PRO 67 N 4.66 3.78 -0.70 -1.71 -0.04 -1.24 -3.39 135.00 136.35 2hqi n PRO 67 Ca -0.19 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.27 2hqi n PRO 67 Cb 0.51 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.97 2hqi n PRO 67 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2hqi n SER 68 N 0.00 0.00 -1.18 3.54 2.88 -1.26 -3.63 113.62 113.97 2hqi n SER 68 Ca 0.00 -0.63 -0.00 0.00 -1.33 0.00 0.00 58.87 56.91 2hqi n SER 68 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2hqi n SER 68 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2hqi n SER 69 N -0.78 -0.17 -4.82 -3.46 2.88 0.58 -4.82 113.62 103.03 2hqi n SER 69 Ca 0.00 -1.10 -0.30 0.00 -1.33 0.00 0.00 58.87 56.14 2hqi n SER 69 Cb 0.00 0.28 -0.06 0.00 -0.75 0.00 0.00 64.21 63.68 2hqi n SER 69 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2hqi s VAL 70 N -2.68 4.80 -0.24 2.46 0.11 -1.26 -1.37 120.40 122.22 2hqi s VAL 70 Ca 0.02 -0.67 -0.20 0.00 -2.93 0.00 0.00 61.98 58.20 2hqi s VAL 70 Cb -0.00 -3.33 0.07 0.00 -1.53 0.00 0.00 36.38 31.58 2hqi s VAL 70 CO 0.01 0.11 0.63 -0.75 -3.33 0.00 0.00 175.10 171.77 2hqi s LYS 71 N -2.48 0.71 0.00 1.54 2.20 0.73 -4.07 119.74 118.37 2hqi s LYS 71 Ca 0.31 0.95 0.14 0.00 -0.36 0.00 0.00 55.97 57.01 2hqi s LYS 71 Cb -0.12 0.28 0.11 0.00 -1.51 0.00 0.00 37.83 36.59 2hqi s LYS 71 CO 0.24 -0.11 0.93 1.04 -0.36 0.00 0.00 175.35 177.09