#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hug s HIS 25 N 0.00 2.24 0.48 -0.67 -3.43 -1.26 -5.05 115.29 107.60 3hug s HIS 25 Ca 0.00 -1.44 0.15 0.00 -0.80 0.00 0.00 55.06 52.97 3hug s HIS 25 Cb 0.00 -1.57 1.12 0.00 -1.43 0.00 0.00 32.58 30.70 3hug s HIS 25 CO 0.00 -0.71 2.07 1.12 -2.00 0.00 0.00 174.74 175.22 3hug h HIS 26 N 8.01 0.03 -0.24 0.38 2.07 -2.09 -2.21 115.15 121.11 3hug h HIS 26 Ca -0.28 -0.00 0.07 0.00 -2.85 0.00 0.00 60.37 57.30 3hug h HIS 26 Cb 1.11 -0.01 -0.01 0.00 2.57 0.00 0.00 27.41 31.07 3hug h HIS 26 CO 0.49 0.10 0.39 1.88 -3.07 0.00 0.00 177.93 177.73 3hug h TYR 27 N 0.03 0.00 0.00 6.12 0.05 -2.02 -1.19 116.97 119.96 3hug h TYR 27 Ca 0.01 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.78 3hug h TYR 27 Cb 0.15 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.88 3hug h TYR 27 CO 0.00 0.00 -0.05 0.00 -1.05 0.00 0.00 178.16 177.06 3hug h ALA 28 N 1.44 1.41 -0.00 3.88 0.00 -1.85 -1.31 119.26 122.83 3hug h ALA 28 Ca 0.11 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3hug h ALA 28 Cb 0.90 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.68 3hug h ALA 28 CO -0.00 0.06 -0.09 -1.33 0.00 0.00 0.00 179.25 177.89 3hug n MET 29 N -3.74 0.10 0.00 0.00 2.81 -0.45 -4.03 117.12 111.82 3hug n MET 29 Ca -0.02 -0.02 0.13 0.00 -1.81 0.00 0.00 57.70 55.98 3hug n MET 29 Cb 0.15 -1.50 0.38 0.00 -0.71 0.00 0.00 33.22 31.54 3hug n MET 29 CO 0.00 0.00 0.00 0.91 1.51 0.00 0.00 175.97 178.39 3hug n TRP 30 N -1.43 0.00 -0.13 2.03 7.02 -0.49 -4.40 117.44 120.03 3hug n TRP 30 Ca 0.08 0.00 -0.05 0.00 -1.02 0.00 0.00 57.50 56.51 3hug n TRP 30 Cb 0.32 -0.19 0.04 0.00 -2.42 0.00 0.00 31.31 29.06 3hug n TRP 30 CO 0.00 0.00 0.00 0.38 -2.02 0.00 0.00 177.69 176.05 3hug h ASP 31 N 0.67 0.12 -0.05 -0.99 2.03 -1.72 -0.28 116.42 116.21 3hug h ASP 31 Ca 0.00 0.05 -0.01 0.00 -0.73 0.00 0.00 57.03 56.35 3hug h ASP 31 Cb 0.48 0.05 -0.00 0.00 -0.83 0.00 0.00 39.33 39.03 3hug h ASP 31 CO 0.00 0.10 0.01 0.00 -1.03 0.00 0.00 179.24 178.33 3hug h ALA 32 N 1.28 0.07 -0.70 4.15 0.00 -1.91 -1.23 119.26 120.92 3hug h ALA 32 Ca 0.20 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.99 3hug h ALA 32 Cb 0.20 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 3hug h ALA 32 CO -0.21 -0.31 0.46 0.00 0.00 0.00 0.00 179.25 179.19 3hug h ALA 33 N 0.79 1.50 0.46 0.00 0.00 -1.77 0.11 119.26 120.35 3hug h ALA 33 Ca 0.02 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 3hug h ALA 33 Cb 0.25 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3hug h ALA 33 CO 0.00 0.46 -0.22 -0.92 0.00 0.00 0.00 179.25 178.57 3hug h TYR 34 N 0.95 -0.58 0.00 0.00 3.20 -0.78 -0.64 116.97 119.12 3hug h TYR 34 Ca 0.26 -0.01 -0.06 0.00 3.14 0.00 0.00 58.73 62.05 3hug h TYR 34 Cb -0.11 0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.35 3hug h TYR 34 CO -0.00 -0.29 -0.29 0.28 -1.64 0.00 0.00 178.16 176.23 3hug h VAL 35 N -0.78 1.18 0.00 1.81 2.07 -0.87 -2.25 116.25 117.40 3hug h VAL 35 Ca -0.06 -0.99 0.00 0.00 0.82 0.00 0.00 66.70 66.47 3hug h VAL 35 Cb 0.55 1.54 0.00 0.00 -1.52 0.00 0.00 31.29 31.86 3hug h VAL 35 CO 0.10 0.28 0.00 0.18 0.02 0.00 0.00 177.57 178.15 3hug n LEU 36 N -4.16 0.00 0.00 2.57 4.77 0.34 -4.87 117.00 115.65 3hug n LEU 36 Ca -0.02 0.49 0.00 0.00 -0.03 0.00 0.00 56.01 56.45 3hug n LEU 36 Cb 0.34 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 40.94 3hug n LEU 36 CO 0.37 -0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.03 3hug n GLY 37 N 1.37 0.64 0.67 -0.72 0.00 -0.85 -4.97 105.19 101.33 3hug n GLY 37 Ca 0.07 -0.56 0.12 0.00 0.00 0.00 0.00 46.02 45.65 3hug n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hug n ALA 38 N -0.20 3.01 -2.04 4.61 0.00 -0.30 -4.91 120.51 120.68 3hug n ALA 38 Ca 0.00 -0.63 -0.41 0.00 0.00 0.00 0.00 53.44 52.40 3hug n ALA 38 Cb 0.00 -0.85 -0.05 0.00 0.00 0.00 0.00 19.45 18.55 3hug n ALA 38 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3hug s LEU 39 N -2.25 4.55 0.92 0.00 1.02 -1.23 -5.00 118.68 116.68 3hug s LEU 39 Ca 0.24 1.93 -0.10 0.00 0.02 0.00 0.00 54.13 56.21 3hug s LEU 39 Cb 0.19 -3.60 0.15 0.00 0.02 0.00 0.00 46.19 42.95 3hug s LEU 39 CO 0.44 -0.03 1.14 -0.94 0.02 0.00 0.00 176.35 176.98 3hug s SER 40 N -0.43 2.86 0.24 2.29 1.04 -1.26 -4.64 113.70 113.80 3hug s SER 40 Ca 0.45 2.14 -0.07 0.00 0.48 0.00 0.00 55.95 58.96 3hug s SER 40 Cb -0.26 -2.55 0.42 0.00 0.10 0.00 0.00 66.02 63.73 3hug s SER 40 CO 0.32 -3.13 1.66 0.00 0.98 0.00 0.00 173.24 173.07 3hug h ALA 41 N -1.89 0.81 -0.10 5.32 0.00 -1.99 0.35 119.26 121.76 3hug h ALA 41 Ca -0.44 0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 3hug h ALA 41 Cb 1.27 0.32 -0.00 0.00 0.00 0.00 0.00 17.79 19.38 3hug h ALA 41 CO 0.42 -0.39 0.04 0.00 0.00 0.00 0.00 179.25 179.33 3hug h ALA 42 N 1.64 0.13 -0.74 0.00 0.00 -2.01 -2.27 119.26 116.02 3hug h ALA 42 Ca 0.39 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.19 3hug h ALA 42 Cb 0.68 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 3hug h ALA 42 CO -0.57 -0.28 0.37 -0.44 0.00 0.00 0.00 179.25 178.32 3hug h ASP 43 N 0.02 0.94 -0.76 0.00 5.19 -1.69 -2.30 116.42 117.82 3hug h ASP 43 Ca 0.03 -0.10 -0.02 0.00 -0.62 0.00 0.00 57.03 56.32 3hug h ASP 43 Cb 0.16 -0.24 -0.04 0.00 0.18 0.00 0.00 39.33 39.39 3hug h ASP 43 CO -0.00 0.79 0.38 -0.09 -3.12 0.00 0.00 179.24 177.20 3hug h ARG 44 N 1.04 1.09 -0.31 3.56 2.43 -0.11 -1.97 114.38 120.12 3hug h ARG 44 Ca 0.26 -0.14 -0.06 0.00 -0.81 0.00 0.00 59.98 59.22 3hug h ARG 44 Cb 0.08 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.42 3hug h ARG 44 CO -0.04 0.83 -0.05 0.00 -1.51 0.00 0.00 179.97 179.20 3hug h ARG 45 N 1.09 0.58 -0.67 0.20 3.08 -0.87 -0.63 114.38 117.16 3hug h ARG 45 Ca 0.27 -0.21 0.07 0.00 0.07 0.00 0.00 59.98 60.18 3hug h ARG 45 Cb 0.09 -0.04 -0.06 0.00 0.08 0.00 0.00 29.97 30.04 3hug h ARG 45 CO -0.04 0.75 0.35 0.93 -1.07 0.00 0.00 179.97 180.89 3hug h GLU 46 N 0.35 0.62 -0.14 0.04 5.08 -1.32 -0.64 114.58 118.57 3hug h GLU 46 Ca 0.08 -0.04 -0.22 0.00 -1.00 0.00 0.00 59.36 58.18 3hug h GLU 46 Cb 0.52 -0.14 0.01 0.00 0.50 0.00 0.00 28.75 29.64 3hug h GLU 46 CO 0.03 0.41 -0.79 0.35 -1.00 0.00 0.00 179.01 178.01 3hug h PHE 47 N 0.63 1.01 -0.75 4.33 3.57 -1.17 0.49 116.94 125.06 3hug h PHE 47 Ca 0.31 -0.45 -0.03 0.00 3.53 0.00 0.00 57.97 61.33 3hug h PHE 47 Cb 0.25 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 38.80 3hug h PHE 47 CO -0.09 1.28 0.34 0.93 -2.23 0.00 0.00 178.31 178.53 3hug h GLU 48 N 0.51 1.09 0.23 1.11 5.08 -0.93 0.31 114.58 121.98 3hug h GLU 48 Ca -0.05 -0.17 0.01 0.00 -1.00 0.00 0.00 59.36 58.14 3hug h GLU 48 Cb 1.41 -0.19 -0.04 0.00 0.50 0.00 0.00 28.75 30.44 3hug h GLU 48 CO 0.16 0.87 -0.41 0.00 -1.00 0.00 0.00 179.01 178.63 3hug h ALA 49 N 1.17 -0.79 -0.94 3.43 0.00 -0.94 -1.49 119.26 119.70 3hug h ALA 49 Ca 0.25 -0.10 0.10 0.00 0.00 0.00 0.00 54.91 55.17 3hug h ALA 49 Cb 0.15 0.65 -0.07 0.00 0.00 0.00 0.00 17.79 18.52 3hug h ALA 49 CO -0.03 -1.00 0.60 1.25 0.00 0.00 0.00 179.25 180.08 3hug h HIS 50 N -0.72 1.03 -0.31 0.00 -0.00 -0.57 -1.49 115.15 113.10 3hug h HIS 50 Ca -0.00 0.03 -0.03 0.00 -0.00 0.00 0.00 60.37 60.37 3hug h HIS 50 Cb 0.70 -0.33 -0.02 0.00 -0.00 0.00 0.00 27.41 27.76 3hug h HIS 50 CO -0.31 0.45 0.08 -0.07 -0.00 0.00 0.00 177.93 178.09 3hug h LEU 51 N 0.94 0.41 -2.52 0.26 3.38 0.31 -1.05 115.31 117.03 3hug h LEU 51 Ca 0.44 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.36 3hug h LEU 51 Cb 0.43 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 3hug h LEU 51 CO -0.20 0.42 -0.02 0.00 0.09 0.00 0.00 178.44 178.72 3hug h ALA 52 N 1.65 1.26 -0.02 1.53 0.00 -0.26 -3.03 119.26 120.39 3hug h ALA 52 Ca 0.11 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3hug h ALA 52 Cb 0.17 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3hug h ALA 52 CO -0.00 0.02 0.00 0.41 0.00 0.00 0.00 179.25 179.68 3hug n GLY 53 N -1.06 1.08 2.92 0.00 0.00 -0.49 -4.96 105.19 102.69 3hug n GLY 53 Ca -0.03 -0.03 -0.31 0.00 0.00 0.00 0.00 46.02 45.66 3hug n GLY 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hug h PRO 55 N 7.82 0.00 0.29 0.00 0.11 -1.91 -2.07 132.00 136.24 3hug h PRO 55 Ca -0.10 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.00 3hug h PRO 55 Cb 1.03 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.14 3hug h PRO 55 CO 0.49 0.16 -0.14 0.93 -0.21 0.00 0.00 178.00 179.23 3hug h GLU 56 N 0.00 -0.37 -0.25 1.05 3.07 -1.96 -1.63 114.58 114.49 3hug h GLU 56 Ca -0.00 0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.89 3hug h GLU 56 Cb 0.33 0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.31 3hug h GLU 56 CO 0.02 -0.09 0.17 0.00 -1.40 0.00 0.00 179.01 177.71 3hug h ARG 58 N 0.34 0.74 -0.12 0.00 3.08 -1.26 -0.79 114.38 116.38 3hug h ARG 58 Ca 0.09 -0.23 -0.14 0.00 0.07 0.00 0.00 59.98 59.77 3hug h ARG 58 Cb -0.04 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 29.93 3hug h ARG 58 CO -0.02 0.81 -0.54 0.78 -1.07 0.00 0.00 179.97 179.93 3hug h GLY 59 N 0.97 0.39 0.82 0.04 0.00 -0.27 -1.79 103.07 103.24 3hug h GLY 59 Ca 0.12 -0.45 -0.01 0.00 0.00 0.00 0.00 47.33 47.00 3hug h GLY 59 CO 0.03 0.40 -0.06 0.00 0.00 0.00 0.00 176.54 176.91 3hug h ALA 60 N 1.15 -0.17 -0.25 3.60 0.00 -0.78 -1.91 119.26 120.90 3hug h ALA 60 Ca 0.00 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.72 3hug h ALA 60 Cb 1.04 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 3hug h ALA 60 CO 0.09 -0.50 -0.22 -0.39 0.00 0.00 0.00 179.25 178.23 3hug h VAL 61 N -0.34 1.25 -0.95 0.00 -1.51 -1.10 -2.53 116.25 111.06 3hug h VAL 61 Ca -0.02 -1.18 0.03 0.00 -1.23 0.00 0.00 66.70 64.29 3hug h VAL 61 Cb 0.28 1.31 -0.05 0.00 -2.13 0.00 0.00 31.29 30.69 3hug h VAL 61 CO 0.03 0.38 0.63 0.74 -1.23 0.00 0.00 177.57 178.11 3hug h THR 62 N 0.41 1.20 -0.57 7.19 2.02 -1.25 -2.01 112.91 119.88 3hug h THR 62 Ca 0.07 -0.43 -0.06 0.00 0.77 0.00 0.00 66.41 66.76 3hug h THR 62 Cb 0.61 -0.15 -0.03 0.00 -1.74 0.00 0.00 68.15 66.84 3hug h THR 62 CO 0.04 0.23 0.13 -0.33 0.37 0.00 0.00 175.52 175.96 3hug h GLU 63 N 1.24 0.89 -0.07 6.66 5.08 -0.96 -3.14 114.58 124.28 3hug h GLU 63 Ca 0.37 -0.19 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 3hug h GLU 63 Cb -0.06 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.06 3hug h GLU 63 CO -0.10 0.81 0.00 1.28 -1.00 0.00 0.00 179.01 179.99 3hug n LEU 64 N -4.26 1.08 -0.34 1.33 4.77 -0.86 -4.44 117.00 114.27 3hug n LEU 64 Ca 0.04 -0.41 0.13 0.00 -0.03 0.00 0.00 56.01 55.74 3hug n LEU 64 Cb 0.24 -0.04 0.44 0.00 -2.33 0.00 0.00 43.42 41.73 3hug n LEU 64 CO 0.41 0.21 0.75 0.00 -1.33 0.00 0.00 177.39 177.42 3hug n GLY 66 N 1.27 -1.14 0.16 0.00 0.00 -1.26 -4.38 105.19 99.84 3hug n GLY 66 Ca 0.15 -0.32 -0.10 0.00 0.00 0.00 0.00 46.02 45.75 3hug n GLY 66 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3hug h VAL 67 N 0.28 1.20 -1.00 1.61 2.07 -1.81 -2.41 116.25 116.19 3hug h VAL 67 Ca 0.00 -0.65 0.03 0.00 0.82 0.00 0.00 66.70 66.90 3hug h VAL 67 Cb 0.49 1.07 -0.05 0.00 -1.52 0.00 0.00 31.29 31.28 3hug h VAL 67 CO 0.00 0.22 0.66 -0.65 0.02 0.00 0.00 177.57 177.81 3hug h PRO 68 N 0.31 1.26 -0.51 1.57 0.11 -1.78 0.11 132.00 133.08 3hug h PRO 68 Ca 0.09 -0.08 -0.03 0.00 0.11 0.00 0.00 66.00 66.10 3hug h PRO 68 Cb 0.24 -0.28 -0.02 0.00 0.11 0.00 0.00 31.00 31.04 3hug h PRO 68 CO -0.00 0.84 0.18 0.00 -0.21 0.00 0.00 178.00 178.80 3hug h ALA 69 N 1.39 1.36 -0.02 -0.75 0.00 -1.74 0.65 119.26 120.14 3hug h ALA 69 Ca 0.38 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 3hug h ALA 69 Cb -0.07 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.52 3hug h ALA 69 CO -0.11 0.47 -0.05 -0.07 0.00 0.00 0.00 179.25 179.50 3hug h LEU 70 N 0.73 0.08 -1.39 0.00 3.38 -0.88 -3.23 115.31 114.01 3hug h LEU 70 Ca 0.17 -0.58 0.10 0.00 0.09 0.00 0.00 57.88 57.66 3hug h LEU 70 Cb 0.18 -0.02 -0.05 0.00 0.09 0.00 0.00 40.66 40.86 3hug h LEU 70 CO -0.01 0.65 0.51 -0.07 0.09 0.00 0.00 178.44 179.61 3hug h LEU 71 N -0.48 0.61 -0.77 1.67 4.07 -0.74 -1.87 115.31 117.79 3hug h LEU 71 Ca 0.00 0.02 0.00 0.00 0.08 0.00 0.00 57.88 57.98 3hug h LEU 71 Cb 0.64 -0.11 0.00 0.00 1.08 0.00 0.00 40.66 42.27 3hug h LEU 71 CO 0.01 0.36 0.00 -1.54 -1.08 0.00 0.00 178.44 176.19 3hug n SER 72 N -4.50 0.57 0.00 -0.43 3.41 0.20 -2.32 113.62 110.54 3hug n SER 72 Ca 0.13 0.67 0.09 0.00 -0.26 0.00 0.00 58.87 59.50 3hug n SER 72 Cb 0.35 -0.78 0.43 0.00 -0.26 0.00 0.00 64.21 63.95 3hug n SER 72 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hug n GLN 73 N -2.16 0.10 -4.37 4.33 6.02 -0.70 -4.71 117.38 115.88 3hug n GLN 73 Ca 0.01 0.15 -0.29 0.00 -0.01 0.00 0.00 57.00 56.87 3hug n GLN 73 Cb 0.18 -1.50 -0.12 0.00 1.02 0.00 0.00 30.24 29.81 3hug n GLN 73 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3hug s LEU 74 N -2.84 2.44 0.47 1.08 1.43 -0.98 -5.15 118.68 115.13 3hug s LEU 74 Ca 0.12 -0.72 -0.05 0.00 -1.03 0.00 0.00 54.13 52.45 3hug s LEU 74 Cb 0.12 -1.30 -0.04 0.00 0.03 0.00 0.00 46.19 45.01 3hug s LEU 74 CO 0.32 0.17 0.77 -1.81 0.23 0.00 0.00 176.35 176.03 3hug s ASP 75 N -2.21 6.27 0.58 2.29 1.01 -1.26 -4.99 116.67 118.35 3hug s ASP 75 Ca 0.16 0.90 0.27 0.00 0.71 0.00 0.00 52.55 54.59 3hug s ASP 75 Cb -0.10 -2.23 1.68 0.00 1.01 0.00 0.00 42.92 43.27 3hug s ASP 75 CO 0.08 -0.56 2.19 0.08 0.21 0.00 0.00 175.17 177.17 3hug h ARG 76 N 0.28 0.00 -0.10 8.23 0.11 -1.98 -2.17 114.38 118.75 3hug h ARG 76 Ca -0.47 0.00 -0.05 0.00 0.10 0.00 0.00 59.98 59.56 3hug h ARG 76 Cb 1.21 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.28 3hug h ARG 76 CO 0.62 0.00 -0.12 -0.44 0.10 0.00 0.00 179.97 180.13 3hug h ASP 77 N 0.00 0.28 -0.54 0.08 3.32 -1.99 0.60 116.42 118.17 3hug h ASP 77 Ca 0.03 -0.50 0.09 0.00 0.02 0.00 0.00 57.03 56.67 3hug h ASP 77 Cb 0.17 -0.08 -0.07 0.00 0.22 0.00 0.00 39.33 39.57 3hug h ASP 77 CO -0.00 0.73 0.17 -0.33 -1.72 0.00 0.00 179.24 178.08 3hug h GLU 78 N -0.16 0.32 -0.43 3.56 5.08 -1.88 -0.94 114.58 120.13 3hug h GLU 78 Ca 0.01 -0.02 -0.12 0.00 -1.00 0.00 0.00 59.36 58.24 3hug h GLU 78 Cb 0.65 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 3hug h GLU 78 CO 0.03 0.21 -0.20 0.28 -1.00 0.00 0.00 179.01 178.32 3hug h VAL 79 N 0.33 1.27 -0.60 3.13 2.07 -1.28 -0.94 116.25 120.23 3hug h VAL 79 Ca 0.27 -1.33 -0.09 0.00 0.82 0.00 0.00 66.70 66.36 3hug h VAL 79 Cb 0.34 1.15 -0.02 0.00 -1.52 0.00 0.00 31.29 31.24 3hug h VAL 79 CO -0.30 0.45 0.01 0.00 0.02 0.00 0.00 177.57 177.75 3hug h ALA 80 N 1.01 0.81 -0.54 1.67 0.00 -0.62 -1.92 119.26 119.67 3hug h ALA 80 Ca 0.10 -0.31 0.01 0.00 0.00 0.00 0.00 54.91 54.72 3hug h ALA 80 Cb 0.74 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 3hug h ALA 80 CO 0.06 0.65 0.36 0.00 0.00 0.00 0.00 179.25 180.31 3hug h ALA 81 N 0.99 0.69 -0.55 0.00 0.00 -0.72 -1.54 119.26 118.14 3hug h ALA 81 Ca 0.17 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 3hug h ALA 81 Cb 0.55 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 3hug h ALA 81 CO 0.03 0.12 0.15 0.82 0.00 0.00 0.00 179.25 180.37 3hug h ILE 82 N 0.73 1.22 -0.04 0.00 2.04 -0.99 -1.81 117.51 118.66 3hug h ILE 82 Ca 0.20 -0.78 -0.19 0.00 1.00 0.00 0.00 64.86 65.09 3hug h ILE 82 Cb -0.07 0.64 -0.01 0.00 -0.74 0.00 0.00 36.82 36.64 3hug h ILE 82 CO -0.05 0.29 -0.80 0.28 0.00 0.00 0.00 178.15 177.87 3hug h SER 83 N 0.80 0.40 -0.25 1.72 0.02 -0.75 -3.08 113.55 112.41 3hug h SER 83 Ca 0.18 -0.29 -0.05 0.00 -0.84 0.00 0.00 61.79 60.79 3hug h SER 83 Cb 0.26 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.68 3hug h SER 83 CO -0.01 1.05 -0.05 -0.33 -1.14 0.00 0.00 176.83 176.35 3hug h GLU 84 N 0.21 0.47 0.00 3.45 5.08 -1.19 -3.51 114.58 119.09 3hug h GLU 84 Ca -0.04 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 58.14 3hug h GLU 84 Cb 1.40 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.62 3hug h GLU 84 CO 0.13 0.69 0.00 0.43 -1.00 0.00 0.00 179.01 179.26