#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 3.23 0.37 2.11 -3.43 -1.26 -5.00 115.29 111.31 3hug s HIS 25 Ca 0.00 -0.29 0.05 0.00 -0.80 0.00 0.00 55.06 54.02 3hug s HIS 25 Cb 0.00 -2.54 0.73 0.00 -1.43 0.00 0.00 32.58 29.34 3hug s HIS 25 CO 0.00 -0.44 2.00 1.12 -2.00 0.00 0.00 174.74 175.42 3hug h HIS 26 N 8.53 0.72 -0.39 0.38 2.07 -2.08 -1.96 115.15 122.42 3hug h HIS 26 Ca -0.30 0.02 0.11 0.00 -2.85 0.00 0.00 60.37 57.35 3hug h HIS 26 Cb 1.14 -0.24 -0.02 0.00 2.57 0.00 0.00 27.41 30.87 3hug h HIS 26 CO 0.64 0.42 0.55 1.88 -3.07 0.00 0.00 177.93 178.34 3hug h TYR 27 N 0.75 0.00 0.00 6.12 0.05 -2.02 -0.06 116.97 121.80 3hug h TYR 27 Ca 0.25 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 59.02 3hug h TYR 27 Cb 0.08 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.82 3hug h TYR 27 CO -0.00 0.00 -0.06 0.00 -1.05 0.00 0.00 178.16 177.05 3hug h ALA 28 N 1.27 1.29 -0.00 3.88 0.00 -1.79 -0.57 119.26 123.33 3hug h ALA 28 Ca 0.19 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3hug h ALA 28 Cb 1.28 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.06 3hug h ALA 28 CO -0.00 0.07 -0.10 -1.33 0.00 0.00 0.00 179.25 177.89 3hug n MET 29 N -3.57 0.22 0.02 0.00 2.81 -0.04 -3.98 117.12 112.58 3hug n MET 29 Ca -0.02 -0.04 0.12 0.00 -1.81 0.00 0.00 57.70 55.95 3hug n MET 29 Cb 0.17 -1.50 0.31 0.00 -0.71 0.00 0.00 33.22 31.49 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 -1.35 0.14 -0.10 2.03 7.02 -0.22 -4.40 117.44 120.55 3hug n TRP 30 Ca 0.10 0.04 -0.06 0.00 -1.02 0.00 0.00 57.50 56.56 3hug n TRP 30 Cb 0.31 -0.40 0.01 0.00 -2.42 0.00 0.00 31.31 28.80 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 -0.50 -0.29 -0.99 2.03 -1.71 -1.72 116.42 113.24 3hug h ASP 31 Ca 0.00 0.13 -0.09 0.00 -0.73 0.00 0.00 57.03 56.34 3hug h ASP 31 Cb 0.56 0.29 -0.01 0.00 -0.83 0.00 0.00 39.33 39.34 3hug h ASP 31 CO 0.00 -0.18 -0.17 0.00 -1.03 0.00 0.00 179.24 177.86 3hug h ALA 32 N 1.23 0.42 -0.98 4.15 0.00 -1.91 -1.60 119.26 120.57 3hug h ALA 32 Ca 0.18 -0.34 0.05 0.00 0.00 0.00 0.00 54.91 54.79 3hug h ALA 32 Cb 0.35 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 17.98 3hug h ALA 32 CO -0.41 0.33 0.64 0.00 0.00 0.00 0.00 179.25 179.81 3hug h ALA 33 N 0.74 1.39 0.22 0.00 0.00 -1.79 0.04 119.26 119.85 3hug h ALA 33 Ca 0.06 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3hug h ALA 33 Cb 0.70 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3hug h ALA 33 CO 0.05 0.50 -0.11 -0.92 0.00 0.00 0.00 179.25 178.77 3hug h TYR 34 N 1.20 -0.27 -0.06 0.00 3.20 -1.02 -0.17 116.97 119.86 3hug h TYR 34 Ca 0.40 -0.01 -0.09 0.00 3.14 0.00 0.00 58.73 62.18 3hug h TYR 34 Cb 0.06 0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.41 3hug h TYR 34 CO -0.00 -0.02 -0.36 0.28 -1.64 0.00 0.00 178.16 176.42 3hug h VAL 35 N -0.50 1.28 -0.00 1.81 2.07 -0.83 -2.29 116.25 117.79 3hug h VAL 35 Ca -0.03 -1.32 0.00 0.00 0.82 0.00 0.00 66.70 66.17 3hug h VAL 35 Cb 0.37 1.63 0.00 0.00 -1.52 0.00 0.00 31.29 31.77 3hug h VAL 35 CO 0.05 0.39 -0.07 0.18 0.02 0.00 0.00 177.57 178.13 3hug n LEU 36 N -4.09 0.18 0.00 2.57 4.77 -0.04 -4.89 117.00 115.49 3hug n LEU 36 Ca -0.02 0.23 0.00 0.00 -0.03 0.00 0.00 56.01 56.20 3hug n LEU 36 Cb 0.42 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 3hug n LEU 36 CO 0.40 0.04 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 3hug n GLY 37 N 1.35 0.65 0.19 -0.72 0.00 -0.45 -4.94 105.19 101.27 3hug n GLY 37 Ca 0.12 -0.23 0.14 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.07 2.73 -2.49 4.61 0.00 -0.20 -4.87 120.51 120.23 3hug n ALA 38 Ca 0.00 -0.31 -0.41 0.00 0.00 0.00 0.00 53.44 52.72 3hug n ALA 38 Cb 0.00 -1.31 -0.04 0.00 0.00 0.00 0.00 19.45 18.10 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 -2.29 4.43 1.03 0.00 1.02 -1.23 -4.99 118.68 116.66 3hug s LEU 39 Ca 0.34 1.61 -0.11 0.00 0.02 0.00 0.00 54.13 55.99 3hug s LEU 39 Cb 0.21 -3.45 0.21 0.00 0.02 0.00 0.00 46.19 43.17 3hug s LEU 39 CO 0.43 -0.12 1.09 -0.94 0.02 0.00 0.00 176.35 176.83 3hug s SER 40 N 0.40 2.01 0.17 2.29 1.04 -1.26 -4.64 113.70 113.71 3hug s SER 40 Ca 0.46 1.85 -0.14 0.00 0.48 0.00 0.00 55.95 58.60 3hug s SER 40 Cb -0.21 -2.44 0.14 0.00 0.10 0.00 0.00 66.02 63.61 3hug s SER 40 CO 0.27 -3.62 1.72 0.00 0.98 0.00 0.00 173.24 172.59 3hug h ALA 41 N -2.22 0.48 -0.14 5.32 0.00 -1.99 0.24 119.26 120.96 3hug h ALA 41 Ca -0.52 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.49 3hug h ALA 41 Cb 1.30 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.21 3hug h ALA 41 CO 0.46 -0.32 0.08 0.00 0.00 0.00 0.00 179.25 179.47 3hug h ALA 42 N 1.34 0.17 -0.35 0.00 0.00 -2.00 -1.92 119.26 116.50 3hug h ALA 42 Ca 0.22 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.09 3hug h ALA 42 Cb 0.28 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 3hug h ALA 42 CO -0.29 -0.35 0.06 -0.44 0.00 0.00 0.00 179.25 178.22 3hug h ASP 43 N 0.17 0.48 -0.47 0.00 3.32 -1.79 -2.62 116.42 115.51 3hug h ASP 43 Ca 0.05 -0.07 -0.07 0.00 0.02 0.00 0.00 57.03 56.96 3hug h ASP 43 Cb -0.01 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.40 3hug h ASP 43 CO -0.02 0.51 0.01 -0.09 -1.72 0.00 0.00 179.24 177.93 3hug h ARG 44 N 0.51 0.82 0.29 3.56 2.43 -0.20 -1.27 114.38 120.53 3hug h ARG 44 Ca 0.12 -0.26 -0.00 0.00 -0.81 0.00 0.00 59.98 59.03 3hug h ARG 44 Cb 0.24 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.70 3hug h ARG 44 CO 0.00 0.87 -0.24 0.00 -1.51 0.00 0.00 179.97 179.09 3hug h ARG 45 N 0.67 -0.53 -0.35 0.20 3.08 -1.16 0.15 114.38 116.46 3hug h ARG 45 Ca 0.13 0.04 0.07 0.00 0.07 0.00 0.00 59.98 60.29 3hug h ARG 45 Cb 0.49 0.12 -0.09 0.00 0.08 0.00 0.00 29.97 30.57 3hug h ARG 45 CO 0.02 -0.35 -0.36 0.93 -1.07 0.00 0.00 179.97 179.14 3hug h GLU 46 N -0.55 -0.30 -0.73 0.04 5.08 -1.34 -1.32 114.58 115.47 3hug h GLU 46 Ca -0.02 0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 3hug h GLU 46 Cb 0.49 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.77 3hug h GLU 46 CO -0.02 -0.20 0.28 0.35 -1.00 0.00 0.00 179.01 178.42 3hug h PHE 47 N -0.31 1.12 -0.27 4.33 3.57 -1.03 0.77 116.94 125.12 3hug h PHE 47 Ca 0.15 -0.09 -0.07 0.00 3.53 0.00 0.00 57.97 61.49 3hug h PHE 47 Cb 0.56 -0.33 -0.02 0.00 2.79 0.00 0.00 35.95 38.95 3hug h PHE 47 CO -0.54 0.86 -0.14 0.93 -2.23 0.00 0.00 178.31 177.19 3hug h GLU 48 N 1.05 0.46 -0.33 1.11 5.08 -0.24 0.16 114.58 121.86 3hug h GLU 48 Ca 0.24 -0.13 -0.07 0.00 -1.00 0.00 0.00 59.36 58.39 3hug h GLU 48 Cb 0.23 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 3hug h GLU 48 CO -0.02 0.60 -0.08 0.00 -1.00 0.00 0.00 179.01 178.51 3hug h ALA 49 N 1.43 0.45 -0.97 3.43 0.00 -0.50 -2.59 119.26 120.50 3hug h ALA 49 Ca 0.08 -0.29 0.01 0.00 0.00 0.00 0.00 54.91 54.71 3hug h ALA 49 Cb 0.50 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.13 3hug h ALA 49 CO 0.03 0.28 0.64 1.25 0.00 0.00 0.00 179.25 181.46 3hug h HIS 50 N 0.41 1.22 -0.52 0.00 -0.00 -0.16 -2.03 115.15 114.07 3hug h HIS 50 Ca 0.08 0.03 0.06 0.00 -0.00 0.00 0.00 60.37 60.54 3hug h HIS 50 Cb 0.57 -0.41 -0.03 0.00 -0.00 0.00 0.00 27.41 27.54 3hug h HIS 50 CO 0.05 0.77 0.35 -0.07 -0.00 0.00 0.00 177.93 179.03 3hug h LEU 51 N 1.31 0.42 -1.90 0.26 3.38 -0.53 -2.56 115.31 115.70 3hug h LEU 51 Ca 0.36 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.30 3hug h LEU 51 Cb -0.15 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.50 3hug h LEU 51 CO -0.08 0.28 -0.12 0.00 0.09 0.00 0.00 178.44 178.61 3hug h ALA 52 N 1.72 1.52 0.00 1.53 0.00 -0.97 -2.92 119.26 120.13 3hug h ALA 52 Ca 0.23 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 3hug h ALA 52 Cb 0.28 -0.02 -0.09 0.00 0.00 0.00 0.00 17.79 17.96 3hug h ALA 52 CO -0.06 0.15 -0.58 0.41 0.00 0.00 0.00 179.25 179.17 3hug n GLY 53 N -0.96 4.04 2.66 0.00 0.00 -1.09 -4.96 105.19 104.88 3hug n GLY 53 Ca -0.02 -1.15 -0.30 0.00 0.00 0.00 0.00 46.02 44.55 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 7.72 0.00 0.16 0.00 0.11 -1.91 -1.96 132.00 136.12 3hug h PRO 55 Ca -0.09 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.01 3hug h PRO 55 Cb 0.99 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.10 3hug h PRO 55 CO 0.44 0.06 -0.08 1.49 -0.21 0.00 0.00 178.00 179.70 3hug h GLU 56 N 0.00 -0.21 -0.80 1.05 4.22 -1.96 -1.85 114.58 115.03 3hug h GLU 56 Ca -0.00 0.01 0.04 0.00 0.08 0.00 0.00 59.36 59.49 3hug h GLU 56 Cb 0.13 0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.38 3hug h GLU 56 CO 0.01 0.22 0.53 0.00 -2.18 0.00 0.00 179.01 177.59 3hug h ARG 58 N 0.97 0.99 -0.09 0.00 3.08 -1.39 -0.82 114.38 117.13 3hug h ARG 58 Ca 0.32 -0.10 -0.06 0.00 0.07 0.00 0.00 59.98 60.20 3hug h ARG 58 Cb 0.06 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 29.90 3hug h ARG 58 CO -0.10 0.72 -0.23 0.78 -1.07 0.00 0.00 179.97 180.07 3hug h GLY 59 N 0.98 0.16 0.77 0.04 0.00 -0.38 -2.15 103.07 102.49 3hug h GLY 59 Ca 0.25 -0.11 -0.01 0.00 0.00 0.00 0.00 47.33 47.46 3hug h GLY 59 CO -0.04 0.10 -0.11 0.00 0.00 0.00 0.00 176.54 176.48 3hug h ALA 60 N 1.63 -0.32 -0.38 3.60 0.00 0.32 -2.06 119.26 122.05 3hug h ALA 60 Ca 0.02 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 3hug h ALA 60 Cb 0.49 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 3hug h ALA 60 CO 0.03 -0.56 0.07 -0.39 0.00 0.00 0.00 179.25 178.40 3hug h VAL 61 N -0.55 1.18 -0.62 0.00 -1.51 -1.14 -2.08 116.25 111.53 3hug h VAL 61 Ca -0.03 -0.67 0.06 0.00 -1.23 0.00 0.00 66.70 64.83 3hug h VAL 61 Cb 0.41 0.82 -0.06 0.00 -2.13 0.00 0.00 31.29 30.34 3hug h VAL 61 CO 0.05 0.24 0.32 0.74 -1.23 0.00 0.00 177.57 177.70 3hug h THR 62 N 0.55 0.93 -0.55 7.19 2.02 -1.34 -0.20 112.91 121.52 3hug h THR 62 Ca 0.13 -0.20 0.05 0.00 0.77 0.00 0.00 66.41 67.15 3hug h THR 62 Cb 0.25 0.28 -0.03 0.00 -1.74 0.00 0.00 68.15 66.91 3hug h THR 62 CO 0.00 0.11 0.36 -0.33 0.37 0.00 0.00 175.52 176.03 3hug h GLU 63 N 0.60 0.53 -0.00 6.66 5.08 -0.67 -3.01 114.58 123.76 3hug h GLU 63 Ca 0.28 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.61 3hug h GLU 63 Cb 0.21 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.34 3hug h GLU 63 CO -0.20 0.35 -0.60 1.28 -1.00 0.00 0.00 179.01 178.85 3hug n LEU 64 N -4.47 0.72 0.00 1.33 4.77 -0.51 -4.52 117.00 114.32 3hug n LEU 64 Ca 0.07 -0.17 0.08 0.00 -0.03 0.00 0.00 56.01 55.96 3hug n LEU 64 Cb 0.21 -0.17 0.47 0.00 -2.33 0.00 0.00 43.42 41.60 3hug n LEU 64 CO 0.34 0.17 0.71 0.00 -1.33 0.00 0.00 177.39 177.28 3hug n GLY 66 N 0.05 -0.65 0.22 0.00 0.00 -1.26 -4.70 105.19 98.84 3hug n GLY 66 Ca 0.11 -0.55 -0.13 0.00 0.00 0.00 0.00 46.02 45.45 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 0.96 0.59 -0.73 1.61 2.07 -1.26 -2.98 116.25 116.51 3hug h VAL 67 Ca 0.00 -0.60 0.15 0.00 0.82 0.00 0.00 66.70 67.07 3hug h VAL 67 Cb 0.58 0.87 -0.11 0.00 -1.52 0.00 0.00 31.29 31.11 3hug h VAL 67 CO 0.00 0.10 0.20 -0.65 0.02 0.00 0.00 177.57 177.25 3hug h PRO 68 N -0.84 0.29 -0.91 1.57 0.11 -1.84 0.71 132.00 131.09 3hug h PRO 68 Ca -0.05 -0.02 0.21 0.00 0.11 0.00 0.00 66.00 66.25 3hug h PRO 68 Cb 0.53 -0.07 -0.12 0.00 0.11 0.00 0.00 31.00 31.45 3hug h PRO 68 CO 0.08 0.19 0.45 0.00 -0.21 0.00 0.00 178.00 178.51 3hug h ALA 69 N 1.59 1.48 -0.17 -0.75 0.00 -1.86 0.34 119.26 119.89 3hug h ALA 69 Ca 0.41 0.14 -0.17 0.00 0.00 0.00 0.00 54.91 55.29 3hug h ALA 69 Cb 0.68 0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.56 3hug h ALA 69 CO -0.48 -0.27 -0.54 -0.07 0.00 0.00 0.00 179.25 177.89 3hug h LEU 70 N 0.50 0.78 -0.93 0.00 3.38 0.47 -3.25 115.31 116.26 3hug h LEU 70 Ca 0.56 -0.59 -0.08 0.00 0.09 0.00 0.00 57.88 57.85 3hug h LEU 70 Cb 1.01 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.51 3hug h LEU 70 CO -0.48 1.24 -0.08 -0.07 0.09 0.00 0.00 178.44 179.13 3hug h LEU 71 N 0.36 0.67 0.00 1.67 4.07 0.07 -2.17 115.31 119.98 3hug h LEU 71 Ca -0.02 -0.18 0.00 0.00 0.08 0.00 0.00 57.88 57.76 3hug h LEU 71 Cb 1.17 -0.18 0.00 0.00 1.08 0.00 0.00 40.66 42.73 3hug h LEU 71 CO 0.12 0.80 0.00 -1.54 -1.08 0.00 0.00 178.44 176.73 3hug n SER 72 N -4.19 0.00 -0.01 -0.43 3.41 0.11 -1.75 113.62 110.76 3hug n SER 72 Ca 0.01 0.24 0.15 0.00 -0.26 0.00 0.00 58.87 59.02 3hug n SER 72 Cb 0.33 -0.31 0.80 0.00 -0.26 0.00 0.00 64.21 64.78 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 -1.31 0.61 -4.42 4.33 6.02 -0.82 -4.79 117.38 117.01 3hug n GLN 73 Ca 0.02 -0.02 -0.26 0.00 -0.01 0.00 0.00 57.00 56.74 3hug n GLN 73 Cb 0.04 -1.50 -0.11 0.00 1.02 0.00 0.00 30.24 29.70 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 -2.41 2.60 0.27 1.08 1.43 -0.72 -5.15 118.68 115.79 3hug s LEU 74 Ca 0.34 -0.88 0.03 0.00 -1.03 0.00 0.00 54.13 52.59 3hug s LEU 74 Cb 0.21 -1.24 -0.03 0.00 0.03 0.00 0.00 46.19 45.16 3hug s LEU 74 CO 0.44 0.08 0.43 -1.81 0.23 0.00 0.00 176.35 175.72 3hug s ASP 75 N -3.06 6.32 0.47 2.29 1.01 -1.26 -4.99 116.67 117.46 3hug s ASP 75 Ca 0.25 0.23 0.14 0.00 0.71 0.00 0.00 52.55 53.89 3hug s ASP 75 Cb -0.07 -1.93 1.13 0.00 1.01 0.00 0.00 42.92 43.05 3hug s ASP 75 CO 0.13 -0.14 2.07 0.08 0.21 0.00 0.00 175.17 177.52 3hug h ARG 76 N 1.13 0.23 -0.46 8.23 0.11 -1.99 -1.46 114.38 120.16 3hug h ARG 76 Ca -0.51 -0.01 -0.05 0.00 0.10 0.00 0.00 59.98 59.51 3hug h ARG 76 Cb 1.22 -0.05 -0.02 0.00 1.11 0.00 0.00 29.97 32.23 3hug h ARG 76 CO 0.62 0.15 0.11 -0.44 0.10 0.00 0.00 179.97 180.51 3hug h ASP 77 N 0.23 0.71 -0.69 0.08 3.45 -1.98 0.23 116.42 118.45 3hug h ASP 77 Ca 0.13 -0.24 -0.05 0.00 0.43 0.00 0.00 57.03 57.31 3hug h ASP 77 Cb 0.23 -0.19 -0.03 0.00 -0.56 0.00 0.00 39.33 38.78 3hug h ASP 77 CO -0.02 0.76 0.24 -0.33 -1.57 0.00 0.00 179.24 178.32 3hug h GLU 78 N 0.62 1.07 -0.13 3.56 5.08 -1.78 -1.21 114.58 121.79 3hug h GLU 78 Ca 0.14 -0.21 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 3hug h GLU 78 Cb 0.33 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.41 3hug h GLU 78 CO 0.00 0.90 0.00 0.28 -1.00 0.00 0.00 179.01 179.19 3hug h VAL 79 N 1.03 1.25 -0.62 3.13 2.07 -0.74 0.04 116.25 122.41 3hug h VAL 79 Ca 0.23 -0.80 0.09 0.00 0.82 0.00 0.00 66.70 67.04 3hug h VAL 79 Cb 0.26 1.52 -0.04 0.00 -1.52 0.00 0.00 31.29 31.51 3hug h VAL 79 CO -0.01 0.23 0.42 0.00 0.02 0.00 0.00 177.57 178.23 3hug h ALA 80 N 0.76 1.96 -0.16 1.67 0.00 -0.44 -0.83 119.26 122.22 3hug h ALA 80 Ca 0.04 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 3hug h ALA 80 Cb 0.35 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 3hug h ALA 80 CO 0.01 -0.09 -0.17 0.00 0.00 0.00 0.00 179.25 179.00 3hug h ALA 81 N 1.68 0.24 -0.77 0.00 0.00 -0.43 -0.70 119.26 119.28 3hug h ALA 81 Ca 0.29 -0.34 0.02 0.00 0.00 0.00 0.00 54.91 54.88 3hug h ALA 81 Cb 0.49 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 3hug h ALA 81 CO -0.08 0.14 0.50 0.82 0.00 0.00 0.00 179.25 180.63 3hug h ILE 82 N 0.04 1.16 -0.25 0.00 2.04 -0.49 -2.41 117.51 117.59 3hug h ILE 82 Ca 0.03 -0.34 -0.11 0.00 1.00 0.00 0.00 64.86 65.43 3hug h ILE 82 Cb 0.70 0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 36.84 3hug h ILE 82 CO 0.04 0.18 -0.30 0.28 0.00 0.00 0.00 178.15 178.35 3hug h SER 83 N 1.00 0.53 -0.63 1.72 0.02 -1.04 -3.09 113.55 112.06 3hug h SER 83 Ca 0.29 -0.20 -0.06 0.00 -0.84 0.00 0.00 61.79 60.99 3hug h SER 83 Cb -0.07 -0.14 -0.03 0.00 0.14 0.00 0.00 62.40 62.30 3hug h SER 83 CO -0.08 0.80 0.18 -0.33 -1.14 0.00 0.00 176.83 176.26 3hug h GLU 84 N 0.45 1.02 -0.85 3.45 5.08 -0.68 -3.18 114.58 119.87 3hug h GLU 84 Ca 0.06 -0.22 -0.51 0.00 -1.00 0.00 0.00 59.36 57.69 3hug h GLU 84 Cb 0.75 -0.15 -0.28 0.00 0.50 0.00 0.00 28.75 29.57 3hug h GLU 84 CO 0.06 0.89 0.43 -1.13 -1.00 0.00 0.00 179.01 178.25 3hug n SER 85 N -4.26 5.02 -0.57 1.42 3.41 -0.95 -5.10 113.62 112.59 3hug n SER 85 Ca 0.05 -3.73 0.14 0.00 -0.26 0.00 0.00 58.87 55.07 3hug n SER 85 Cb 0.23 -0.80 0.44 0.00 -0.26 0.00 0.00 64.21 63.83 3hug n SER 85 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88