#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hug n HIS 25 N 0.00 -1.86 0.07 1.24 -0.00 -1.26 -4.92 115.22 108.50 3hug n HIS 25 Ca 0.00 0.41 -0.01 0.00 0.46 0.00 0.00 57.72 58.58 3hug n HIS 25 Cb 0.00 -3.37 0.28 0.00 -0.12 0.00 0.00 29.99 26.78 3hug n HIS 25 CO 0.00 0.00 0.00 1.12 0.46 0.00 0.00 176.34 177.92 3hug h HIS 26 N -1.97 0.36 -0.34 1.57 2.07 -2.08 -2.92 115.15 111.84 3hug h HIS 26 Ca -0.67 -0.07 0.10 0.00 -2.85 0.00 0.00 60.37 56.88 3hug h HIS 26 Cb 1.37 -0.09 -0.01 0.00 2.57 0.00 0.00 27.41 31.24 3hug h HIS 26 CO 0.34 0.55 0.44 1.88 -3.07 0.00 0.00 177.93 178.07 3hug h TYR 27 N 0.30 0.00 -0.03 6.12 0.05 -2.02 0.22 116.97 121.61 3hug h TYR 27 Ca 0.05 0.00 0.01 0.00 0.05 0.00 0.00 58.73 58.84 3hug h TYR 27 Cb 0.58 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.32 3hug h TYR 27 CO 0.01 0.00 0.04 0.00 -1.05 0.00 0.00 178.16 177.16 3hug h ALA 28 N 1.43 1.55 -0.01 3.88 0.00 -1.89 0.31 119.26 124.53 3hug h ALA 28 Ca 0.16 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3hug h ALA 28 Cb 1.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.83 3hug h ALA 28 CO -0.00 -0.06 0.00 -1.33 0.00 0.00 0.00 179.25 177.86 3hug n MET 29 N -3.79 1.25 0.01 0.00 2.81 0.07 -4.09 117.12 113.38 3hug n MET 29 Ca -0.02 -0.37 0.11 0.00 -1.81 0.00 0.00 57.70 55.61 3hug n MET 29 Cb 0.13 -1.48 0.06 0.00 -0.71 0.00 0.00 33.22 31.22 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 -0.55 0.10 -0.09 2.03 7.02 0.11 -4.56 117.44 121.52 3hug n TRP 30 Ca 0.22 0.03 -0.06 0.00 -1.02 0.00 0.00 57.50 56.66 3hug n TRP 30 Cb 0.20 -0.26 -0.00 0.00 -2.42 0.00 0.00 31.31 28.83 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 0.00 -0.24 -0.15 -0.99 2.03 -1.71 -1.16 116.42 114.19 3hug h ASP 31 Ca 0.00 0.09 -0.03 0.00 -0.73 0.00 0.00 57.03 56.36 3hug h ASP 31 Cb 0.59 0.17 -0.01 0.00 -0.83 0.00 0.00 39.33 39.26 3hug h ASP 31 CO 0.00 -0.08 -0.01 0.00 -1.03 0.00 0.00 179.24 178.12 3hug h ALA 32 N 1.30 0.21 -0.79 4.15 0.00 -1.91 -1.91 119.26 120.31 3hug h ALA 32 Ca 0.15 -0.21 0.08 0.00 0.00 0.00 0.00 54.91 54.94 3hug h ALA 32 Cb 0.22 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 17.89 3hug h ALA 32 CO -0.30 -0.07 0.45 0.00 0.00 0.00 0.00 179.25 179.33 3hug h ALA 33 N 0.75 1.11 -0.31 0.00 0.00 -1.78 0.51 119.26 119.53 3hug h ALA 33 Ca 0.04 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 3hug h ALA 33 Cb 0.40 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 3hug h ALA 33 CO 0.01 0.10 0.19 -0.92 0.00 0.00 0.00 179.25 178.63 3hug h TYR 34 N 0.78 0.42 0.00 0.00 3.20 -1.03 -0.54 116.97 119.79 3hug h TYR 34 Ca 0.37 -0.00 -0.10 0.00 3.14 0.00 0.00 58.73 62.14 3hug h TYR 34 Cb 0.30 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.42 3hug h TYR 34 CO -0.06 0.31 -0.48 0.28 -1.64 0.00 0.00 178.16 176.57 3hug h VAL 35 N 0.40 0.99 0.00 1.81 2.07 -0.49 -3.11 116.25 117.92 3hug h VAL 35 Ca 0.11 -1.90 0.00 0.00 0.82 0.00 0.00 66.70 65.73 3hug h VAL 35 Cb 0.01 2.15 0.00 0.00 -1.52 0.00 0.00 31.29 31.93 3hug h VAL 35 CO -0.02 0.47 -0.86 -0.07 0.02 0.00 0.00 177.57 177.11 3hug h LEU 36 N 0.00 0.00 0.00 2.57 3.38 -0.78 -3.46 115.31 117.03 3hug h LEU 36 Ca -0.00 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3hug h LEU 36 Cb 1.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.86 3hug h LEU 36 CO 0.06 0.02 0.00 0.61 0.09 0.00 0.00 178.44 179.23 3hug n GLY 37 N 1.21 1.18 0.69 0.83 0.00 -0.41 -5.00 105.19 103.69 3hug n GLY 37 Ca 0.01 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.15 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 -1.60 2.70 -1.76 4.61 0.00 -0.35 -4.92 120.51 119.20 3hug n ALA 38 Ca 0.00 -0.58 -0.40 0.00 0.00 0.00 0.00 53.44 52.46 3hug n ALA 38 Cb 0.00 -0.94 -0.05 0.00 0.00 0.00 0.00 19.45 18.46 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 -2.11 4.57 0.80 0.00 1.02 -1.23 -5.00 118.68 116.72 3hug s LEU 39 Ca 0.29 2.12 -0.12 0.00 0.02 0.00 0.00 54.13 56.45 3hug s LEU 39 Cb 0.20 -3.66 0.08 0.00 0.02 0.00 0.00 46.19 42.83 3hug s LEU 39 CO 0.37 -0.04 1.13 -0.94 0.02 0.00 0.00 176.35 176.89 3hug s SER 40 N -1.05 3.97 0.34 2.29 1.04 -1.26 -4.68 113.70 114.35 3hug s SER 40 Ca 0.44 2.05 0.08 0.00 0.48 0.00 0.00 55.95 59.01 3hug s SER 40 Cb -0.29 -2.55 0.81 0.00 0.10 0.00 0.00 66.02 64.09 3hug s SER 40 CO 0.36 -2.40 1.82 0.00 0.98 0.00 0.00 173.24 174.00 3hug h ALA 41 N -1.12 1.80 -0.47 5.32 0.00 -1.99 0.16 119.26 122.96 3hug h ALA 41 Ca -0.44 0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.38 3hug h ALA 41 Cb 1.26 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 3hug h ALA 41 CO 0.48 -0.12 -0.22 0.00 0.00 0.00 0.00 179.25 179.39 3hug h ALA 42 N 1.61 0.66 -0.09 0.00 0.00 -2.01 -2.76 119.26 116.68 3hug h ALA 42 Ca 0.52 -0.39 -0.17 0.00 0.00 0.00 0.00 54.91 54.88 3hug h ALA 42 Cb 0.88 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 3hug h ALA 42 CO -0.29 0.65 -0.66 -0.44 0.00 0.00 0.00 179.25 178.51 3hug h ASP 43 N 0.83 0.42 -0.68 0.00 5.19 -1.50 -2.51 116.42 118.17 3hug h ASP 43 Ca 0.11 -0.26 -0.08 0.00 -0.62 0.00 0.00 57.03 56.18 3hug h ASP 43 Cb 0.80 -0.12 -0.03 0.00 0.18 0.00 0.00 39.33 40.16 3hug h ASP 43 CO 0.07 0.96 0.10 -0.09 -3.12 0.00 0.00 179.24 177.16 3hug h ARG 44 N 0.26 1.12 -0.25 3.56 2.43 -0.74 0.20 114.38 120.96 3hug h ARG 44 Ca -0.02 -0.30 -0.08 0.00 -0.81 0.00 0.00 59.98 58.78 3hug h ARG 44 Cb 1.20 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.62 3hug h ARG 44 CO 0.11 1.03 -0.14 0.00 -1.51 0.00 0.00 179.97 179.46 3hug h ARG 45 N 1.05 0.53 -0.40 0.20 3.08 -1.46 0.70 114.38 118.08 3hug h ARG 45 Ca 0.20 -0.24 0.06 0.00 0.07 0.00 0.00 59.98 60.07 3hug h ARG 45 Cb 0.45 -0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.44 3hug h ARG 45 CO 0.01 0.80 0.10 1.49 -1.07 0.00 0.00 179.97 181.30 3hug h GLU 46 N 0.25 0.23 -0.33 0.04 4.81 -1.24 0.68 114.58 119.01 3hug h GLU 46 Ca 0.05 -0.01 -0.15 0.00 -0.13 0.00 0.00 59.36 59.12 3hug h GLU 46 Cb 0.65 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.98 3hug h GLU 46 CO 0.04 0.15 -0.38 0.35 -0.73 0.00 0.00 179.01 178.44 3hug h PHE 47 N 0.24 1.02 -0.96 0.92 3.57 -0.43 -0.86 116.94 120.43 3hug h PHE 47 Ca 0.19 -0.32 0.08 0.00 3.53 0.00 0.00 57.97 61.46 3hug h PHE 47 Cb 0.22 -0.21 -0.07 0.00 2.79 0.00 0.00 35.95 38.68 3hug h PHE 47 CO -0.19 1.12 0.61 0.93 -2.23 0.00 0.00 178.31 178.55 3hug h GLU 48 N 0.62 1.03 -0.47 1.11 5.08 -0.69 0.25 114.58 121.51 3hug h GLU 48 Ca 0.05 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.29 3hug h GLU 48 Cb 0.97 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.97 3hug h GLU 48 CO 0.09 0.68 0.09 0.00 -1.00 0.00 0.00 179.01 178.87 3hug h ALA 49 N 1.47 0.62 -0.88 3.43 0.00 -0.23 -2.33 119.26 121.34 3hug h ALA 49 Ca 0.44 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 3hug h ALA 49 Cb 0.27 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 3hug h ALA 49 CO -0.20 0.34 0.49 1.25 0.00 0.00 0.00 179.25 181.12 3hug h HIS 50 N 0.64 1.20 -0.40 0.00 -0.00 -0.49 -2.64 115.15 113.46 3hug h HIS 50 Ca 0.14 -0.02 -0.01 0.00 -0.00 0.00 0.00 60.37 60.47 3hug h HIS 50 Cb 0.37 -0.38 -0.02 0.00 -0.00 0.00 0.00 27.41 27.37 3hug h HIS 50 CO 0.02 0.82 0.19 -0.07 -0.00 0.00 0.00 177.93 178.90 3hug h LEU 51 N 1.23 0.50 -2.21 0.26 3.38 -0.07 -1.88 115.31 116.51 3hug h LEU 51 Ca 0.31 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.23 3hug h LEU 51 Cb 0.02 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.64 3hug h LEU 51 CO -0.05 0.44 -0.04 0.00 0.09 0.00 0.00 178.44 178.88 3hug h ALA 52 N 1.65 1.60 -0.01 1.53 0.00 -1.04 -2.78 119.26 120.20 3hug h ALA 52 Ca 0.14 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3hug h ALA 52 Cb 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3hug h ALA 52 CO -0.02 0.05 0.00 0.41 0.00 0.00 0.00 179.25 179.69 3hug n GLY 53 N -1.23 4.26 2.73 0.00 0.00 -0.80 -4.95 105.19 105.20 3hug n GLY 53 Ca -0.03 -0.77 -0.30 0.00 0.00 0.00 0.00 46.02 44.92 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 8.04 0.00 -0.00 0.00 0.11 -1.90 -2.15 132.00 136.10 3hug h PRO 55 Ca -0.13 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 65.79 3hug h PRO 55 Cb 1.01 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.14 3hug h PRO 55 CO 0.47 0.01 -0.73 1.05 -0.21 0.00 0.00 178.00 178.59 3hug h GLU 56 N 0.00 0.49 -0.18 1.05 9.09 -1.96 -2.40 114.58 120.68 3hug h GLU 56 Ca -0.00 -0.53 -0.11 0.00 0.05 0.00 0.00 59.36 58.77 3hug h GLU 56 Cb 0.18 0.15 -0.01 0.00 -1.65 0.00 0.00 28.75 27.42 3hug h GLU 56 CO 0.00 1.17 -0.38 0.00 0.05 0.00 0.00 179.01 179.85 3hug h ARG 58 N 0.34 0.81 -0.34 0.00 3.08 -1.40 0.15 114.38 117.02 3hug h ARG 58 Ca 0.03 -0.05 -0.07 0.00 0.07 0.00 0.00 59.98 59.97 3hug h ARG 58 Cb 0.82 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.67 3hug h ARG 58 CO 0.07 0.54 -0.08 0.78 -1.07 0.00 0.00 179.97 180.20 3hug h GLY 59 N 0.84 0.60 0.84 0.04 0.00 -1.09 -1.96 103.07 102.35 3hug h GLY 59 Ca 0.25 -0.41 -0.00 0.00 0.00 0.00 0.00 47.33 47.16 3hug h GLY 59 CO -0.07 0.38 0.03 0.00 0.00 0.00 0.00 176.54 176.87 3hug h ALA 60 N 1.39 0.09 -0.29 3.60 0.00 0.57 -1.43 119.26 123.20 3hug h ALA 60 Ca 0.10 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 3hug h ALA 60 Cb 0.46 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 3hug h ALA 60 CO 0.02 -0.31 -0.18 -0.39 0.00 0.00 0.00 179.25 178.40 3hug h VAL 61 N -0.06 1.25 -0.55 0.00 -1.51 -0.70 -2.31 116.25 112.37 3hug h VAL 61 Ca 0.02 -1.14 -0.01 0.00 -1.23 0.00 0.00 66.70 64.35 3hug h VAL 61 Cb 0.19 1.23 -0.03 0.00 -2.13 0.00 0.00 31.29 30.54 3hug h VAL 61 CO -0.00 0.37 0.32 0.74 -1.23 0.00 0.00 177.57 177.77 3hug h THR 62 N 0.46 1.16 -0.00 7.19 2.02 -1.07 -1.71 112.91 120.96 3hug h THR 62 Ca 0.08 -0.38 -0.09 0.00 0.77 0.00 0.00 66.41 66.79 3hug h THR 62 Cb 0.58 0.39 -0.01 0.00 -1.74 0.00 0.00 68.15 67.37 3hug h THR 62 CO 0.04 0.17 -0.43 -0.33 0.37 0.00 0.00 175.52 175.35 3hug h GLU 63 N 0.76 0.01 -0.02 6.66 5.08 -0.69 -3.22 114.58 123.16 3hug h GLU 63 Ca 0.20 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 3hug h GLU 63 Cb -0.01 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.24 3hug h GLU 63 CO -0.04 0.43 -0.24 1.28 -1.00 0.00 0.00 179.01 179.44 3hug n LEU 64 N -4.03 2.05 0.00 1.33 4.77 -0.84 -4.48 117.00 115.79 3hug n LEU 64 Ca -0.02 -0.70 0.11 0.00 -0.03 0.00 0.00 56.01 55.38 3hug n LEU 64 Cb 0.45 -0.02 0.52 0.00 -2.33 0.00 0.00 43.42 42.04 3hug n LEU 64 CO 0.40 0.36 0.88 0.00 -1.33 0.00 0.00 177.39 177.70 3hug n GLY 66 N 0.92 -0.75 0.08 0.00 0.00 -1.26 -4.44 105.19 99.75 3hug n GLY 66 Ca 0.06 -0.32 -0.16 0.00 0.00 0.00 0.00 46.02 45.61 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 0.91 1.26 -1.00 1.61 2.07 -1.60 -2.65 116.25 116.84 3hug h VAL 67 Ca 0.00 -2.14 0.18 0.00 0.82 0.00 0.00 66.70 65.56 3hug h VAL 67 Cb 0.39 2.58 -0.10 0.00 -1.52 0.00 0.00 31.29 32.64 3hug h VAL 67 CO 0.00 0.43 0.61 -0.65 0.02 0.00 0.00 177.57 177.98 3hug h PRO 68 N -1.00 0.75 -0.89 1.57 0.11 -1.79 0.72 132.00 131.47 3hug h PRO 68 Ca -0.14 -0.05 0.16 0.00 0.11 0.00 0.00 66.00 66.08 3hug h PRO 68 Cb 1.04 -0.17 -0.10 0.00 0.11 0.00 0.00 31.00 31.88 3hug h PRO 68 CO -0.08 0.50 0.49 0.00 -0.21 0.00 0.00 178.00 178.69 3hug h ALA 69 N 1.63 1.38 0.09 -0.75 0.00 -1.76 -0.73 119.26 119.12 3hug h ALA 69 Ca 0.57 0.08 -0.28 0.00 0.00 0.00 0.00 54.91 55.28 3hug h ALA 69 Cb 0.88 -0.04 0.02 0.00 0.00 0.00 0.00 17.79 18.65 3hug h ALA 69 CO -0.36 -0.06 -1.17 -0.07 0.00 0.00 0.00 179.25 177.58 3hug h LEU 70 N 0.68 0.77 -1.36 0.00 3.38 -0.59 -3.20 115.31 114.99 3hug h LEU 70 Ca 0.49 -0.70 0.10 0.00 0.09 0.00 0.00 57.88 57.86 3hug h LEU 70 Cb 0.70 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 41.15 3hug h LEU 70 CO -0.36 1.51 0.52 -0.07 0.09 0.00 0.00 178.44 180.12 3hug h LEU 71 N 0.26 0.65 -1.75 1.67 4.07 -0.43 -2.51 115.31 117.27 3hug h LEU 71 Ca -0.16 0.02 0.00 0.00 0.08 0.00 0.00 57.88 57.82 3hug h LEU 71 Cb 1.84 -0.12 0.00 0.00 1.08 0.00 0.00 40.66 43.47 3hug h LEU 71 CO 0.22 0.38 0.00 0.77 -1.08 0.00 0.00 178.44 178.73 3hug h SER 72 N 0.71 0.00 -0.02 -0.43 4.64 -1.14 -2.64 113.55 114.67 3hug h SER 72 Ca 0.37 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.69 3hug h SER 72 Cb 0.47 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.56 3hug h SER 72 CO -0.14 0.00 0.13 1.56 -0.87 0.00 0.00 176.83 177.51 3hug h GLN 73 N 0.00 0.00 -5.96 4.77 4.20 -1.58 -3.43 115.11 113.11 3hug h GLN 73 Ca 0.00 0.00 -0.61 0.00 0.06 0.00 0.00 58.65 58.10 3hug h GLN 73 Cb 0.32 0.00 -0.13 0.00 0.30 0.00 0.00 27.48 27.97 3hug h GLN 73 CO 0.00 0.00 -0.67 -0.51 -0.67 0.00 0.00 178.83 176.98 3hug s LEU 74 N -6.22 2.77 0.37 1.46 1.43 -1.00 -5.16 118.68 112.34 3hug s LEU 74 Ca -0.04 -1.15 0.08 0.00 -1.03 0.00 0.00 54.13 51.98 3hug s LEU 74 Cb 0.12 -1.07 -0.04 0.00 0.03 0.00 0.00 46.19 45.23 3hug s LEU 74 CO 0.38 -0.20 0.21 1.51 0.23 0.00 0.00 176.35 178.48 3hug s ASP 75 N -3.62 4.76 0.59 2.29 -4.77 -1.26 -5.01 116.67 109.65 3hug s ASP 75 Ca 0.33 -0.80 0.29 0.00 -3.30 0.00 0.00 52.55 49.07 3hug s ASP 75 Cb 0.02 -0.68 1.71 0.00 -1.09 0.00 0.00 42.92 42.87 3hug s ASP 75 CO 0.17 -0.41 2.15 0.08 0.70 0.00 0.00 175.17 177.85 3hug h ARG 76 N 1.40 0.00 0.64 2.11 0.11 -1.99 -2.25 114.38 114.39 3hug h ARG 76 Ca -0.43 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 59.62 3hug h ARG 76 Cb 1.25 0.00 0.01 0.00 1.11 0.00 0.00 29.97 32.34 3hug h ARG 76 CO 0.63 0.00 -0.31 -0.44 0.10 0.00 0.00 179.97 179.95 3hug h ASP 77 N 0.00 -0.72 -0.98 0.08 3.45 -1.98 0.38 116.42 116.64 3hug h ASP 77 Ca 0.06 0.02 0.25 0.00 0.43 0.00 0.00 57.03 57.80 3hug h ASP 77 Cb 0.34 0.19 -0.13 0.00 -0.56 0.00 0.00 39.33 39.16 3hug h ASP 77 CO -0.00 -0.33 0.54 -0.33 -1.57 0.00 0.00 179.24 177.55 3hug h GLU 78 N -1.22 0.48 0.34 3.56 5.08 -1.83 0.14 114.58 121.12 3hug h GLU 78 Ca -0.09 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.23 3hug h GLU 78 Cb 0.65 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.80 3hug h GLU 78 CO 0.14 0.32 -0.16 0.28 -1.00 0.00 0.00 179.01 178.59 3hug h VAL 79 N 0.49 0.33 -0.88 3.13 2.07 -1.39 -1.76 116.25 118.25 3hug h VAL 79 Ca 0.64 -0.75 0.22 0.00 0.82 0.00 0.00 66.70 67.63 3hug h VAL 79 Cb 1.27 0.54 -0.06 0.00 -1.52 0.00 0.00 31.29 31.53 3hug h VAL 79 CO -0.51 0.08 0.60 0.00 0.02 0.00 0.00 177.57 177.75 3hug h ALA 80 N -0.79 2.40 -0.79 1.67 0.00 -0.53 0.77 119.26 121.99 3hug h ALA 80 Ca -0.05 0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.88 3hug h ALA 80 Cb 0.48 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 3hug h ALA 80 CO 0.08 -0.67 0.52 0.00 0.00 0.00 0.00 179.25 179.17 3hug h ALA 81 N 1.60 1.01 -0.56 0.00 0.00 -0.63 -2.98 119.26 117.71 3hug h ALA 81 Ca 0.44 -0.05 0.07 0.00 0.00 0.00 0.00 54.91 55.37 3hug h ALA 81 Cb 1.31 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.76 3hug h ALA 81 CO -0.12 0.39 0.37 0.82 0.00 0.00 0.00 179.25 180.71 3hug h ILE 82 N 1.05 0.97 -0.01 0.00 2.04 0.15 -3.51 117.51 118.20 3hug h ILE 82 Ca 0.30 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 65.99 3hug h ILE 82 Cb -0.09 0.43 0.00 0.00 -0.74 0.00 0.00 36.82 36.42 3hug h ILE 82 CO -0.08 0.09 0.00 -1.20 0.00 0.00 0.00 178.15 176.97