#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 4.95 0.20 1.24 -0.00 -1.26 -4.87 115.22 115.47 3hug n HIS 25 Ca 0.00 -3.68 0.07 0.00 0.46 0.00 0.00 57.72 54.57 3hug n HIS 25 Cb 0.00 -1.77 0.35 0.00 -0.12 0.00 0.00 29.99 28.45 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 6.62 0.00 0.00 1.57 2.07 -2.09 -2.62 115.15 120.70 3hug h HIS 26 Ca 0.21 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.73 3hug h HIS 26 Cb 0.84 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.82 3hug h HIS 26 CO 0.85 0.32 0.00 1.88 -3.07 0.00 0.00 177.93 177.91 3hug h TYR 27 N 0.00 0.00 -0.08 6.12 0.05 -2.02 -2.73 116.97 118.32 3hug h TYR 27 Ca -0.00 0.00 0.02 0.00 0.05 0.00 0.00 58.73 58.80 3hug h TYR 27 Cb 0.89 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.62 3hug h TYR 27 CO 0.00 0.00 0.10 0.00 -1.05 0.00 0.00 178.16 177.21 3hug h ALA 28 N 2.01 1.59 -0.00 3.88 0.00 -1.89 0.40 119.26 125.25 3hug h ALA 28 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3hug h ALA 28 Cb 0.32 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3hug h ALA 28 CO 0.00 -0.14 -0.05 -1.33 0.00 0.00 0.00 179.25 177.73 3hug n MET 29 N -3.72 0.41 0.00 0.00 2.81 -1.03 -4.03 117.12 111.57 3hug n MET 29 Ca -0.01 -0.05 0.12 0.00 -1.81 0.00 0.00 57.70 55.95 3hug n MET 29 Cb 0.20 -1.50 0.26 0.00 -0.71 0.00 0.00 33.22 31.47 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 -1.25 0.00 -0.18 2.03 7.02 0.13 -4.44 117.44 120.76 3hug n TRP 30 Ca 0.13 0.00 -0.04 0.00 -1.02 0.00 0.00 57.50 56.57 3hug n TRP 30 Cb 0.27 -0.21 0.06 0.00 -2.42 0.00 0.00 31.31 29.01 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 0.29 0.41 -0.29 -0.99 2.03 -1.70 -0.81 116.42 115.35 3hug h ASP 31 Ca 0.00 0.03 -0.14 0.00 -0.73 0.00 0.00 57.03 56.18 3hug h ASP 31 Cb 0.50 -0.05 -0.00 0.00 -0.83 0.00 0.00 39.33 38.95 3hug h ASP 31 CO 0.00 0.28 -0.37 0.00 -1.03 0.00 0.00 179.24 178.12 3hug h ALA 32 N 1.28 0.44 -0.38 4.15 0.00 -1.91 -1.62 119.26 121.22 3hug h ALA 32 Ca 0.24 -0.44 0.01 0.00 0.00 0.00 0.00 54.91 54.71 3hug h ALA 32 Cb 0.13 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3hug h ALA 32 CO -0.16 0.53 0.24 0.00 0.00 0.00 0.00 179.25 179.86 3hug h ALA 33 N 0.70 0.49 0.23 0.00 0.00 -1.77 0.17 119.26 119.07 3hug h ALA 33 Ca 0.04 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.94 3hug h ALA 33 Cb 0.96 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.59 3hug h ALA 33 CO 0.09 -0.09 -0.31 -0.92 0.00 0.00 0.00 179.25 178.03 3hug h TYR 34 N 0.49 -0.83 0.00 0.00 3.20 -0.98 -1.07 116.97 117.78 3hug h TYR 34 Ca 0.15 0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.96 3hug h TYR 34 Cb -0.02 0.33 -0.01 0.00 1.54 0.00 0.00 36.73 38.57 3hug h TYR 34 CO -0.06 -0.43 -0.33 0.28 -1.64 0.00 0.00 178.16 175.98 3hug h VAL 35 N -0.59 1.18 -0.00 1.81 2.07 -1.06 -2.14 116.25 117.51 3hug h VAL 35 Ca 0.00 -1.16 0.00 0.00 0.82 0.00 0.00 66.70 66.36 3hug h VAL 35 Cb 0.57 1.64 0.00 0.00 -1.52 0.00 0.00 31.29 31.98 3hug h VAL 35 CO -0.11 0.33 -0.15 0.18 0.02 0.00 0.00 177.57 177.84 3hug n LEU 36 N -4.06 0.52 0.00 2.57 4.77 0.03 -4.88 117.00 115.95 3hug n LEU 36 Ca -0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 3hug n LEU 36 Cb 0.38 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 3hug n LEU 36 CO 0.38 0.10 0.00 0.61 -1.33 0.00 0.00 177.39 177.15 3hug n GLY 37 N 1.31 0.68 0.17 -0.72 0.00 -0.60 -4.95 105.19 101.08 3hug n GLY 37 Ca 0.13 -0.19 0.12 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.23 3.45 -2.27 4.61 0.00 -0.51 -4.87 120.51 120.69 3hug n ALA 38 Ca 0.00 -0.43 -0.42 0.00 0.00 0.00 0.00 53.44 52.59 3hug n ALA 38 Cb 0.00 -1.06 -0.03 0.00 0.00 0.00 0.00 19.45 18.36 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 -2.71 4.40 0.95 0.00 1.02 -1.24 -5.01 118.68 116.09 3hug s LEU 39 Ca 0.18 2.11 -0.12 0.00 0.02 0.00 0.00 54.13 56.31 3hug s LEU 39 Cb 0.18 -3.59 0.06 0.00 0.02 0.00 0.00 46.19 42.86 3hug s LEU 39 CO 0.62 -0.43 0.53 -1.54 0.02 0.00 0.00 176.35 175.54 3hug n SER 40 N 3.40 -1.69 -0.30 2.29 3.41 -1.26 -4.68 113.62 114.79 3hug n SER 40 Ca 0.07 0.34 0.00 0.00 -0.26 0.00 0.00 58.87 59.03 3hug n SER 40 Cb 0.46 -1.25 0.13 0.00 -0.26 0.00 0.00 64.21 63.29 3hug n SER 40 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hug h ALA 41 N -1.63 1.13 -0.30 7.33 0.00 -1.99 -0.18 119.26 123.62 3hug h ALA 41 Ca -0.43 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.45 3hug h ALA 41 Cb 1.28 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 3hug h ALA 41 CO 0.35 0.24 0.09 0.00 0.00 0.00 0.00 179.25 179.93 3hug h ALA 42 N 1.39 0.39 -0.69 0.00 0.00 -2.00 -2.22 119.26 116.13 3hug h ALA 42 Ca 0.36 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 3hug h ALA 42 Cb 0.17 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 3hug h ALA 42 CO -0.17 0.03 0.31 -0.44 0.00 0.00 0.00 179.25 178.98 3hug h ASP 43 N 0.32 0.90 -0.57 0.00 3.32 -1.82 -1.04 116.42 117.54 3hug h ASP 43 Ca 0.10 -0.11 -0.09 0.00 0.02 0.00 0.00 57.03 56.95 3hug h ASP 43 Cb 0.25 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.55 3hug h ASP 43 CO -0.00 0.78 0.02 -0.09 -1.72 0.00 0.00 179.24 178.24 3hug h ARG 44 N 0.98 1.02 -0.32 3.56 2.43 -0.96 0.11 114.38 121.21 3hug h ARG 44 Ca 0.24 -0.30 -0.12 0.00 -0.81 0.00 0.00 59.98 58.98 3hug h ARG 44 Cb 0.14 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.58 3hug h ARG 44 CO -0.03 0.98 -0.28 0.00 -1.51 0.00 0.00 179.97 179.14 3hug h ARG 45 N 0.94 0.75 -0.17 0.20 3.08 -0.99 -0.22 114.38 117.97 3hug h ARG 45 Ca 0.17 -0.38 0.03 0.00 0.07 0.00 0.00 59.98 59.87 3hug h ARG 45 Cb 0.51 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.54 3hug h ARG 45 CO 0.02 1.00 0.01 1.49 -1.07 0.00 0.00 179.97 181.43 3hug h GLU 46 N 0.51 0.07 -0.61 0.04 4.81 -0.92 -0.92 114.58 117.55 3hug h GLU 46 Ca 0.06 -0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.19 3hug h GLU 46 Cb 0.85 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.19 3hug h GLU 46 CO 0.07 0.05 0.03 0.35 -0.73 0.00 0.00 179.01 178.78 3hug h PHE 47 N 0.07 1.15 -0.41 0.92 3.57 -0.71 -2.02 116.94 119.50 3hug h PHE 47 Ca 0.08 -0.19 -0.04 0.00 3.53 0.00 0.00 57.97 61.35 3hug h PHE 47 Cb 0.09 -0.30 -0.02 0.00 2.79 0.00 0.00 35.95 38.51 3hug h PHE 47 CO -0.15 1.00 0.10 0.93 -2.23 0.00 0.00 178.31 177.96 3hug h GLU 48 N 0.96 0.65 -0.36 1.11 5.08 -0.88 0.11 114.58 121.26 3hug h GLU 48 Ca 0.18 -0.15 0.07 0.00 -1.00 0.00 0.00 59.36 58.46 3hug h GLU 48 Cb 0.52 -0.09 -0.07 0.00 0.50 0.00 0.00 28.75 29.61 3hug h GLU 48 CO 0.03 0.67 -0.12 0.00 -1.00 0.00 0.00 179.01 178.58 3hug h ALA 49 N 0.96 0.19 -0.74 3.43 0.00 -1.08 -2.15 119.26 119.88 3hug h ALA 49 Ca 0.13 0.14 0.01 0.00 0.00 0.00 0.00 54.91 55.18 3hug h ALA 49 Cb 0.30 0.33 -0.04 0.00 0.00 0.00 0.00 17.79 18.38 3hug h ALA 49 CO 0.00 -0.49 0.49 1.25 0.00 0.00 0.00 179.25 180.50 3hug h HIS 50 N -0.04 0.93 -0.30 0.00 -0.00 -1.10 -2.17 115.15 112.48 3hug h HIS 50 Ca 0.18 0.02 0.06 0.00 -0.00 0.00 0.00 60.37 60.63 3hug h HIS 50 Cb 0.31 -0.32 -0.01 0.00 -0.00 0.00 0.00 27.41 27.39 3hug h HIS 50 CO -0.35 0.59 0.21 -0.07 -0.00 0.00 0.00 177.93 178.30 3hug h LEU 51 N 1.00 0.13 -1.67 0.26 3.38 -0.20 -1.96 115.31 116.25 3hug h LEU 51 Ca 0.27 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.21 3hug h LEU 51 Cb -0.11 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 3hug h LEU 51 CO -0.06 0.08 -0.13 0.00 0.09 0.00 0.00 178.44 178.43 3hug h ALA 52 N 1.84 1.73 -0.19 1.53 0.00 -0.77 -3.00 119.26 120.39 3hug h ALA 52 Ca 0.13 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3hug h ALA 52 Cb 0.35 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3hug h ALA 52 CO -0.02 0.21 0.00 0.41 0.00 0.00 0.00 179.25 179.85 3hug n GLY 53 N -1.10 1.75 2.90 0.00 0.00 -0.80 -4.94 105.19 103.00 3hug n GLY 53 Ca -0.02 -0.28 -0.30 0.00 0.00 0.00 0.00 46.02 45.41 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 7.54 0.00 -0.03 0.00 0.11 -1.90 -2.42 132.00 135.30 3hug h PRO 55 Ca -0.07 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.97 3hug h PRO 55 Cb 0.99 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.11 3hug h PRO 55 CO 0.52 0.00 -0.25 1.49 -0.21 0.00 0.00 178.00 179.55 3hug h GLU 56 N 0.00 0.22 -0.79 1.05 4.81 -1.95 -1.94 114.58 115.98 3hug h GLU 56 Ca 0.01 -0.20 0.04 0.00 -0.13 0.00 0.00 59.36 59.08 3hug h GLU 56 Cb 0.05 0.05 -0.05 0.00 0.63 0.00 0.00 28.75 29.43 3hug h GLU 56 CO -0.00 0.88 0.49 0.00 -0.73 0.00 0.00 179.01 179.65 3hug h ARG 58 N 0.95 0.76 -0.26 0.00 3.08 -1.39 0.02 114.38 117.54 3hug h ARG 58 Ca 0.32 -0.05 -0.05 0.00 0.07 0.00 0.00 59.98 60.28 3hug h ARG 58 Cb 0.06 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 29.92 3hug h ARG 58 CO -0.13 0.50 -0.05 0.78 -1.07 0.00 0.00 179.97 180.00 3hug h GLY 59 N 0.78 0.44 0.92 0.04 0.00 -0.94 -1.29 103.07 103.02 3hug h GLY 59 Ca 0.35 -0.26 -0.06 0.00 0.00 0.00 0.00 47.33 47.36 3hug h GLY 59 CO -0.20 0.24 -0.01 0.00 0.00 0.00 0.00 176.54 176.57 3hug h ALA 60 N 1.56 0.47 -0.28 3.60 0.00 -0.04 -2.08 119.26 122.50 3hug h ALA 60 Ca 0.08 -0.25 -0.13 0.00 0.00 0.00 0.00 54.91 54.61 3hug h ALA 60 Cb 0.35 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 3hug h ALA 60 CO 0.02 0.25 -0.32 -0.39 0.00 0.00 0.00 179.25 178.80 3hug h VAL 61 N 0.44 1.30 -0.79 0.00 -1.51 -0.93 -2.40 116.25 112.36 3hug h VAL 61 Ca 0.10 -1.50 0.19 0.00 -1.23 0.00 0.00 66.70 64.25 3hug h VAL 61 Cb 0.47 1.61 -0.14 0.00 -2.13 0.00 0.00 31.29 31.10 3hug h VAL 61 CO 0.02 0.48 0.02 0.74 -1.23 0.00 0.00 177.57 177.60 3hug h THR 62 N 0.46 0.30 -0.43 7.19 2.02 -1.27 0.67 112.91 121.86 3hug h THR 62 Ca 0.04 -0.04 -0.05 0.00 0.77 0.00 0.00 66.41 67.14 3hug h THR 62 Cb 0.90 0.19 -0.02 0.00 -1.74 0.00 0.00 68.15 67.48 3hug h THR 62 CO 0.08 0.02 0.06 -0.33 0.37 0.00 0.00 175.52 175.72 3hug h GLU 63 N 0.10 0.66 -0.01 6.66 5.08 -0.92 -2.89 114.58 123.26 3hug h GLU 63 Ca 0.44 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.67 3hug h GLU 63 Cb 0.80 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.95 3hug h GLU 63 CO -0.70 0.63 -0.29 1.28 -1.00 0.00 0.00 179.01 178.94 3hug n LEU 64 N -4.28 1.02 0.28 1.33 4.77 0.00 -4.48 117.00 115.63 3hug n LEU 64 Ca 0.03 -0.26 0.18 0.00 -0.03 0.00 0.00 56.01 55.92 3hug n LEU 64 Cb 0.23 -0.13 0.77 0.00 -2.33 0.00 0.00 43.42 41.97 3hug n LEU 64 CO 0.39 0.19 1.02 0.00 -1.33 0.00 0.00 177.39 177.66 3hug n GLY 66 N -0.20 -1.63 0.18 0.00 0.00 -1.26 -4.38 105.19 97.90 3hug n GLY 66 Ca -0.00 -0.07 -0.09 0.00 0.00 0.00 0.00 46.02 45.86 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 0.00 1.17 -0.82 1.61 2.07 -1.61 -2.41 116.25 116.27 3hug h VAL 67 Ca 0.00 -0.49 0.03 0.00 0.82 0.00 0.00 66.70 67.06 3hug h VAL 67 Cb 0.70 0.82 -0.05 0.00 -1.52 0.00 0.00 31.29 31.24 3hug h VAL 67 CO 0.00 0.18 0.53 -0.65 0.02 0.00 0.00 177.57 177.65 3hug h PRO 68 N 0.45 0.99 -0.30 1.57 0.11 -1.78 0.27 132.00 133.32 3hug h PRO 68 Ca 0.13 -0.06 0.05 0.00 0.11 0.00 0.00 66.00 66.22 3hug h PRO 68 Cb 0.13 -0.22 -0.04 0.00 0.11 0.00 0.00 31.00 30.97 3hug h PRO 68 CO -0.02 0.66 0.03 0.00 -0.21 0.00 0.00 178.00 178.46 3hug h ALA 69 N 1.34 0.29 -0.37 -0.75 0.00 -1.71 0.62 119.26 118.68 3hug h ALA 69 Ca 0.33 0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.32 3hug h ALA 69 Cb 0.01 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 3hug h ALA 69 CO -0.12 -0.38 0.22 -0.07 0.00 0.00 0.00 179.25 178.91 3hug h LEU 70 N 0.13 0.37 -1.59 0.00 3.38 -1.07 -2.83 115.31 113.69 3hug h LEU 70 Ca 0.14 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 3hug h LEU 70 Cb 0.17 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 3hug h LEU 70 CO -0.21 0.27 0.00 -0.07 0.09 0.00 0.00 178.44 178.52 3hug h LEU 71 N 0.46 0.23 0.00 1.67 4.07 -0.49 -2.42 115.31 118.83 3hug h LEU 71 Ca 0.14 -0.03 0.00 0.00 0.08 0.00 0.00 57.88 58.08 3hug h LEU 71 Cb -0.02 -0.06 0.00 0.00 1.08 0.00 0.00 40.66 41.66 3hug h LEU 71 CO -0.05 0.28 0.00 -1.54 -1.08 0.00 0.00 178.44 176.05 3hug n SER 72 N -4.39 0.00 -0.03 -0.43 3.41 0.17 -2.25 113.62 110.10 3hug n SER 72 Ca -0.00 -0.25 0.13 0.00 -0.26 0.00 0.00 58.87 58.48 3hug n SER 72 Cb 0.17 -0.13 0.42 0.00 -0.26 0.00 0.00 64.21 64.41 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 -1.13 0.15 -4.16 4.33 6.02 -0.91 -4.79 117.38 116.89 3hug n GLN 73 Ca 0.10 -0.06 -0.24 0.00 -0.01 0.00 0.00 57.00 56.79 3hug n GLN 73 Cb 0.09 -1.50 -0.07 0.00 1.02 0.00 0.00 30.24 29.78 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 -2.89 3.19 0.34 1.08 1.43 -0.96 -5.15 118.68 115.71 3hug s LEU 74 Ca 0.15 -0.84 0.08 0.00 -1.03 0.00 0.00 54.13 52.49 3hug s LEU 74 Cb 0.18 -1.63 -0.04 0.00 0.03 0.00 0.00 46.19 44.73 3hug s LEU 74 CO 0.61 -0.30 0.14 1.51 0.23 0.00 0.00 176.35 178.54 3hug s ASP 75 N -3.82 4.66 0.55 2.29 -4.77 -1.26 -5.03 116.67 109.29 3hug s ASP 75 Ca 0.37 -0.79 0.28 0.00 -3.30 0.00 0.00 52.55 49.12 3hug s ASP 75 Cb -0.02 -0.72 1.61 0.00 -1.09 0.00 0.00 42.92 42.71 3hug s ASP 75 CO 0.22 -0.30 2.15 0.08 0.70 0.00 0.00 175.17 178.02 3hug h ARG 76 N 1.55 0.00 0.08 2.11 0.11 -1.99 -1.78 114.38 114.46 3hug h ARG 76 Ca -0.44 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 59.64 3hug h ARG 76 Cb 1.25 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.33 3hug h ARG 76 CO 0.63 0.07 -0.04 -0.44 0.10 0.00 0.00 179.97 180.29 3hug h ASP 77 N 0.00 -0.09 -0.95 0.08 3.32 -1.99 -0.11 116.42 116.69 3hug h ASP 77 Ca -0.00 -0.15 0.11 0.00 0.02 0.00 0.00 57.03 57.01 3hug h ASP 77 Cb 0.18 0.02 -0.07 0.00 0.22 0.00 0.00 39.33 39.68 3hug h ASP 77 CO 0.01 0.10 0.61 -0.33 -1.72 0.00 0.00 179.24 177.90 3hug h GLU 78 N -0.27 0.92 0.13 3.56 5.08 -1.74 -0.27 114.58 121.99 3hug h GLU 78 Ca -0.01 -0.06 -0.28 0.00 -1.00 0.00 0.00 59.36 58.02 3hug h GLU 78 Cb 0.23 -0.21 0.01 0.00 0.50 0.00 0.00 28.75 29.28 3hug h GLU 78 CO 0.02 0.61 -1.23 0.28 -1.00 0.00 0.00 179.01 177.68 3hug h VAL 79 N 0.94 1.45 -0.89 3.13 2.07 -1.39 -2.07 116.25 119.50 3hug h VAL 79 Ca 0.45 -2.91 -0.00 0.00 0.82 0.00 0.00 66.70 65.05 3hug h VAL 79 Cb 0.44 2.88 -0.04 0.00 -1.52 0.00 0.00 31.29 33.05 3hug h VAL 79 CO -0.21 0.86 0.54 0.00 0.02 0.00 0.00 177.57 178.77 3hug h ALA 80 N 0.54 1.13 -0.72 1.67 0.00 -0.70 -2.54 119.26 118.64 3hug h ALA 80 Ca -0.14 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 54.72 3hug h ALA 80 Cb 1.94 -0.36 -0.06 0.00 0.00 0.00 0.00 17.79 19.32 3hug h ALA 80 CO 0.21 0.59 0.42 0.00 0.00 0.00 0.00 179.25 180.47 3hug h ALA 81 N 1.29 0.97 -0.71 0.00 0.00 -0.88 -1.87 119.26 118.06 3hug h ALA 81 Ca 0.32 0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.24 3hug h ALA 81 Cb -0.05 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.54 3hug h ALA 81 CO -0.06 0.13 0.47 0.82 0.00 0.00 0.00 179.25 180.61 3hug h ILE 82 N 0.78 1.18 -0.21 0.00 2.04 -1.03 -3.10 117.51 117.17 3hug h ILE 82 Ca 0.32 -0.33 -0.15 0.00 1.00 0.00 0.00 64.86 65.70 3hug h ILE 82 Cb 0.16 0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.37 3hug h ILE 82 CO -0.17 0.18 -0.50 0.28 0.00 0.00 0.00 178.15 177.94 3hug h SER 83 N 0.96 0.62 -0.69 1.72 0.02 -1.03 -3.12 113.55 112.03 3hug h SER 83 Ca 0.26 -0.31 0.14 0.00 -0.84 0.00 0.00 61.79 61.04 3hug h SER 83 Cb -0.10 -0.18 -0.10 0.00 0.14 0.00 0.00 62.40 62.16 3hug h SER 83 CO -0.06 1.01 0.17 -0.33 -1.14 0.00 0.00 176.83 176.48 3hug h GLU 84 N 0.45 0.28 -0.01 3.45 4.39 -1.28 -3.52 114.58 118.34 3hug h GLU 84 Ca 0.02 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3hug h GLU 84 Cb 1.03 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.62 3hug h GLU 84 CO 0.10 0.18 0.00 -1.13 -1.16 0.00 0.00 179.01 177.00