#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 3.49 -0.12 1.24 -0.00 -1.26 -4.78 115.22 113.80 3hug n HIS 25 Ca 0.00 -2.73 0.00 0.00 0.46 0.00 0.00 57.72 55.45 3hug n HIS 25 Cb 0.00 -2.46 0.28 0.00 -0.12 0.00 0.00 29.99 27.69 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 6.70 0.77 0.00 1.57 2.07 -2.08 -2.58 115.15 121.60 3hug h HIS 26 Ca 0.51 -0.02 0.00 0.00 -2.85 0.00 0.00 60.37 58.02 3hug h HIS 26 Cb 0.70 -0.25 0.00 0.00 2.57 0.00 0.00 27.41 30.43 3hug h HIS 26 CO 1.41 0.56 0.35 1.88 -3.07 0.00 0.00 177.93 179.06 3hug h TYR 27 N 0.79 0.00 0.00 6.12 0.05 -2.02 -0.42 116.97 121.49 3hug h TYR 27 Ca 0.20 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.98 3hug h TYR 27 Cb 0.07 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.81 3hug h TYR 27 CO 0.01 0.00 0.00 0.00 -1.05 0.00 0.00 178.16 177.12 3hug h ALA 28 N 1.20 1.00 -0.00 3.88 0.00 -1.87 -1.50 119.26 121.96 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 0.70 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.49 3hug h ALA 28 CO 0.00 0.00 -0.30 -1.33 0.00 0.00 0.00 179.25 177.62 3hug n MET 29 N -2.98 0.56 0.00 0.00 2.81 -0.17 -4.08 117.12 113.26 3hug n MET 29 Ca 0.01 -0.31 0.13 0.00 -1.81 0.00 0.00 57.70 55.72 3hug n MET 29 Cb 0.29 -1.49 0.38 0.00 -0.71 0.00 0.00 33.22 31.68 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 -0.95 0.00 0.12 2.03 7.02 -0.56 -4.46 117.44 120.63 3hug n TRP 30 Ca 0.10 0.00 -0.13 0.00 -1.02 0.00 0.00 57.50 56.45 3hug n TRP 30 Cb 0.34 -0.14 -0.06 0.00 -2.42 0.00 0.00 31.31 29.02 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 1.02 -0.91 -0.40 -0.99 2.03 -1.71 -1.03 116.42 114.44 3hug h ASP 31 Ca 0.00 0.10 0.03 0.00 -0.73 0.00 0.00 57.03 56.43 3hug h ASP 31 Cb 0.50 0.34 -0.03 0.00 -0.83 0.00 0.00 39.33 39.31 3hug h ASP 31 CO 0.00 -0.41 0.20 0.00 -1.03 0.00 0.00 179.24 178.01 3hug h ALA 32 N 0.11 0.49 -0.86 4.15 0.00 -1.91 -2.11 119.26 119.14 3hug h ALA 32 Ca 0.03 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 3hug h ALA 32 Cb 0.57 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.26 3hug h ALA 32 CO -0.18 -0.16 0.53 0.00 0.00 0.00 0.00 179.25 179.45 3hug h ALA 33 N 1.21 1.09 0.26 0.00 0.00 -1.78 -0.50 119.26 119.53 3hug h ALA 33 Ca 0.17 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3hug h ALA 33 Cb 0.07 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.52 3hug h ALA 33 CO -0.11 0.54 -0.12 -0.92 0.00 0.00 0.00 179.25 178.63 3hug h TYR 34 N 1.17 -0.32 -0.13 0.00 3.20 -0.94 0.88 116.97 120.83 3hug h TYR 34 Ca 0.31 -0.01 -0.06 0.00 3.14 0.00 0.00 58.73 62.11 3hug h TYR 34 Cb -0.07 0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.29 3hug h TYR 34 CO -0.00 -0.15 -0.21 0.28 -1.64 0.00 0.00 178.16 176.44 3hug h VAL 35 N -0.41 1.21 -0.01 1.81 2.07 -1.04 -2.69 116.25 117.18 3hug h VAL 35 Ca -0.04 -0.98 0.00 0.00 0.82 0.00 0.00 66.70 66.51 3hug h VAL 35 Cb 0.31 1.35 0.00 0.00 -1.52 0.00 0.00 31.29 31.43 3hug h VAL 35 CO 0.06 0.30 -0.18 0.18 0.02 0.00 0.00 177.57 177.94 3hug n LEU 36 N -4.21 1.29 0.00 2.57 4.77 -0.23 -4.82 117.00 116.38 3hug n LEU 36 Ca -0.01 -0.39 0.00 0.00 -0.03 0.00 0.00 56.01 55.58 3hug n LEU 36 Cb 0.32 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 3hug n LEU 36 CO 0.39 0.23 0.00 0.61 -1.33 0.00 0.00 177.39 177.29 3hug n GLY 37 N 1.29 0.65 0.17 -0.72 0.00 -0.81 -4.96 105.19 100.81 3hug n GLY 37 Ca 0.14 -0.24 0.14 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.03 2.90 -2.02 4.61 0.00 0.24 -4.84 120.51 121.36 3hug n ALA 38 Ca 0.00 -0.33 -0.41 0.00 0.00 0.00 0.00 53.44 52.71 3hug n ALA 38 Cb 0.00 -1.25 -0.04 0.00 0.00 0.00 0.00 19.45 18.16 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 -2.50 4.49 0.91 0.00 1.02 -1.21 -5.00 118.68 116.40 3hug s LEU 39 Ca 0.26 2.14 -0.10 0.00 0.02 0.00 0.00 54.13 56.45 3hug s LEU 39 Cb 0.20 -3.61 0.14 0.00 0.02 0.00 0.00 46.19 42.94 3hug s LEU 39 CO 0.50 -0.24 1.15 -0.94 0.02 0.00 0.00 176.35 176.84 3hug s SER 40 N -0.16 2.91 0.34 2.29 1.04 -1.26 -4.62 113.70 114.24 3hug s SER 40 Ca 0.49 2.22 0.10 0.00 0.48 0.00 0.00 55.95 59.25 3hug s SER 40 Cb -0.30 -2.57 0.87 0.00 0.10 0.00 0.00 66.02 64.12 3hug s SER 40 CO 0.36 -3.12 1.79 0.00 0.98 0.00 0.00 173.24 173.25 3hug h ALA 41 N -1.82 1.87 -0.03 5.32 0.00 -1.98 0.50 119.26 123.11 3hug h ALA 41 Ca -0.43 0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.45 3hug h ALA 41 Cb 1.27 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 19.02 3hug h ALA 41 CO 0.41 -0.24 -0.37 0.00 0.00 0.00 0.00 179.25 179.05 3hug h ALA 42 N 1.64 0.09 -0.87 0.00 0.00 -2.00 -2.89 119.26 115.23 3hug h ALA 42 Ca 0.57 -0.48 0.05 0.00 0.00 0.00 0.00 54.91 55.04 3hug h ALA 42 Cb 1.07 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.82 3hug h ALA 42 CO -0.34 0.20 0.55 -0.44 0.00 0.00 0.00 179.25 179.22 3hug h ASP 43 N -0.24 0.90 -0.45 0.00 3.32 -1.80 -1.21 116.42 116.94 3hug h ASP 43 Ca -0.04 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.02 3hug h ASP 43 Cb 1.06 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 40.40 3hug h ASP 43 CO 0.07 0.60 0.28 -0.09 -1.72 0.00 0.00 179.24 178.38 3hug h ARG 44 N 1.05 0.60 -0.58 3.56 2.43 -0.97 0.15 114.38 120.62 3hug h ARG 44 Ca 0.36 -0.05 -0.06 0.00 -0.81 0.00 0.00 59.98 59.42 3hug h ARG 44 Cb 0.07 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.47 3hug h ARG 44 CO -0.14 0.43 0.15 0.00 -1.51 0.00 0.00 179.97 178.90 3hug h ARG 45 N 0.60 0.93 -0.39 0.20 3.08 -1.27 -0.17 114.38 117.35 3hug h ARG 45 Ca 0.16 -0.22 0.00 0.00 0.07 0.00 0.00 59.98 59.99 3hug h ARG 45 Cb -0.02 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 29.89 3hug h ARG 45 CO -0.03 0.86 0.26 1.49 -1.07 0.00 0.00 179.97 181.47 3hug h GLU 46 N 0.84 0.52 -0.47 0.04 4.81 -0.88 -2.21 114.58 117.23 3hug h GLU 46 Ca 0.18 -0.03 -0.12 0.00 -0.13 0.00 0.00 59.36 59.26 3hug h GLU 46 Cb 0.34 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.59 3hug h GLU 46 CO 0.00 0.36 -0.17 0.35 -0.73 0.00 0.00 179.01 178.82 3hug h PHE 47 N 0.53 1.02 -0.79 0.92 3.57 -0.40 -2.05 116.94 119.74 3hug h PHE 47 Ca 0.14 -0.22 -0.04 0.00 3.53 0.00 0.00 57.97 61.38 3hug h PHE 47 Cb -0.05 -0.25 -0.04 0.00 2.79 0.00 0.00 35.95 38.41 3hug h PHE 47 CO -0.05 1.00 0.34 0.93 -2.23 0.00 0.00 178.31 178.30 3hug h GLU 48 N 0.80 1.17 0.15 1.11 5.08 -0.89 0.42 114.58 122.41 3hug h GLU 48 Ca 0.12 -0.20 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 3hug h GLU 48 Cb 0.71 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 3hug h GLU 48 CO 0.05 0.93 -0.13 0.00 -1.00 0.00 0.00 179.01 178.86 3hug h ALA 49 N 1.22 -0.27 -0.49 3.43 0.00 -1.17 -2.04 119.26 119.93 3hug h ALA 49 Ca 0.27 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.19 3hug h ALA 49 Cb 0.18 0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.11 3hug h ALA 49 CO -0.03 -0.67 0.23 1.25 0.00 0.00 0.00 179.25 180.03 3hug h HIS 50 N -0.30 0.41 -1.00 0.00 -0.00 -0.91 -1.68 115.15 111.68 3hug h HIS 50 Ca -0.00 0.02 0.18 0.00 -0.00 0.00 0.00 60.37 60.57 3hug h HIS 50 Cb 0.28 -0.11 -0.10 0.00 -0.00 0.00 0.00 27.41 27.47 3hug h HIS 50 CO -0.12 0.19 0.62 -0.07 -0.00 0.00 0.00 177.93 178.55 3hug h LEU 51 N 0.45 0.78 -1.98 0.26 3.38 0.13 0.16 115.31 118.48 3hug h LEU 51 Ca 0.22 0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.25 3hug h LEU 51 Cb 0.16 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 3hug h LEU 51 CO -0.17 0.30 -0.11 0.00 0.09 0.00 0.00 178.44 178.55 3hug h ALA 52 N 1.63 1.36 -0.22 1.53 0.00 -0.58 -2.57 119.26 120.41 3hug h ALA 52 Ca 0.56 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.37 3hug h ALA 52 Cb 0.86 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.64 3hug h ALA 52 CO -0.35 0.13 0.00 0.41 0.00 0.00 0.00 179.25 179.45 3hug n GLY 53 N -0.82 3.77 2.59 0.00 0.00 -0.03 -4.96 105.19 105.73 3hug n GLY 53 Ca -0.02 -0.80 -0.26 0.00 0.00 0.00 0.00 46.02 44.95 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 8.01 0.00 -0.26 0.00 0.11 -1.90 -1.07 132.00 136.88 3hug h PRO 55 Ca -0.12 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.91 3hug h PRO 55 Cb 1.02 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.12 3hug h PRO 55 CO 0.37 0.04 -0.18 0.93 -0.21 0.00 0.00 178.00 178.94 3hug h GLU 56 N 0.00 0.59 -0.33 1.05 4.39 -1.95 -0.19 114.58 118.14 3hug h GLU 56 Ca -0.00 -0.28 -0.14 0.00 0.34 0.00 0.00 59.36 59.28 3hug h GLU 56 Cb 0.08 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.72 3hug h GLU 56 CO 0.01 0.86 -0.36 0.00 -1.16 0.00 0.00 179.01 178.35 3hug h ARG 58 N 0.62 0.99 -0.83 0.00 3.08 -1.26 -1.05 114.38 115.93 3hug h ARG 58 Ca 0.06 -0.14 -0.01 0.00 0.07 0.00 0.00 59.98 59.95 3hug h ARG 58 Cb 0.91 -0.18 -0.04 0.00 0.08 0.00 0.00 29.97 30.74 3hug h ARG 58 CO 0.08 0.78 0.47 0.78 -1.07 0.00 0.00 179.97 181.01 3hug h GLY 59 N 0.96 1.22 0.92 0.04 0.00 -0.77 -1.92 103.07 103.52 3hug h GLY 59 Ca 0.24 -0.53 -0.02 0.00 0.00 0.00 0.00 47.33 47.02 3hug h GLY 59 CO -0.03 0.51 0.13 0.00 0.00 0.00 0.00 176.54 177.15 3hug h ALA 60 N 1.36 0.43 -0.22 3.60 0.00 0.02 -1.95 119.26 122.50 3hug h ALA 60 Ca 0.29 -0.13 -0.15 0.00 0.00 0.00 0.00 54.91 54.92 3hug h ALA 60 Cb 0.00 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3hug h ALA 60 CO -0.05 0.03 -0.48 -0.39 0.00 0.00 0.00 179.25 178.37 3hug h VAL 61 N 0.38 1.31 -0.86 0.00 -1.51 -1.14 -2.58 116.25 111.85 3hug h VAL 61 Ca 0.11 -1.69 0.11 0.00 -1.23 0.00 0.00 66.70 64.01 3hug h VAL 61 Cb 0.20 1.65 -0.08 0.00 -2.13 0.00 0.00 31.29 30.93 3hug h VAL 61 CO -0.01 0.53 0.49 0.74 -1.23 0.00 0.00 177.57 178.09 3hug h THR 62 N 0.47 0.86 -0.87 7.19 2.02 -1.22 -0.75 112.91 120.61 3hug h THR 62 Ca 0.03 -0.26 -0.01 0.00 0.77 0.00 0.00 66.41 66.93 3hug h THR 62 Cb 1.01 0.02 -0.04 0.00 -1.74 0.00 0.00 68.15 67.40 3hug h THR 62 CO 0.09 0.14 0.51 -0.33 0.37 0.00 0.00 175.52 176.31 3hug h GLU 63 N 0.77 1.19 -0.00 6.66 5.08 -0.97 -3.16 114.58 124.15 3hug h GLU 63 Ca 0.43 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.68 3hug h GLU 63 Cb 0.47 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.47 3hug h GLU 63 CO -0.28 0.84 -0.50 1.28 -1.00 0.00 0.00 179.01 179.34 3hug n LEU 64 N -4.36 0.70 -0.25 1.33 4.77 -0.58 -4.46 117.00 114.15 3hug n LEU 64 Ca 0.09 -0.12 0.01 0.00 -0.03 0.00 0.00 56.01 55.96 3hug n LEU 64 Cb 0.07 -0.19 0.03 0.00 -2.33 0.00 0.00 43.42 41.00 3hug n LEU 64 CO 0.38 0.16 0.46 0.00 -1.33 0.00 0.00 177.39 177.06 3hug n GLY 66 N 0.45 -0.44 0.07 0.00 0.00 -1.26 -4.68 105.19 99.32 3hug n GLY 66 Ca 0.02 -0.52 -0.13 0.00 0.00 0.00 0.00 46.02 45.39 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 0.76 1.46 -0.80 1.61 2.07 -1.58 -2.46 116.25 117.32 3hug h VAL 67 Ca 0.00 -1.63 0.19 0.00 0.82 0.00 0.00 66.70 66.08 3hug h VAL 67 Cb 0.51 2.53 -0.13 0.00 -1.52 0.00 0.00 31.29 32.68 3hug h VAL 67 CO 0.00 0.41 0.17 -0.65 0.02 0.00 0.00 177.57 177.52 3hug h PRO 68 N -0.75 0.21 -0.05 1.57 0.11 -1.84 0.48 132.00 131.73 3hug h PRO 68 Ca -0.00 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.09 3hug h PRO 68 Cb 0.69 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 31.75 3hug h PRO 68 CO 0.00 0.14 0.02 0.00 -0.21 0.00 0.00 178.00 177.95 3hug h ALA 69 N 1.70 1.93 0.19 -0.75 0.00 -1.76 -0.10 119.26 120.47 3hug h ALA 69 Ca 0.47 -0.02 -0.35 0.00 0.00 0.00 0.00 54.91 55.01 3hug h ALA 69 Cb 0.87 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.64 3hug h ALA 69 CO -0.60 0.06 -1.72 -0.07 0.00 0.00 0.00 179.25 176.92 3hug h LEU 70 N 0.07 0.62 -1.26 0.00 3.38 -0.21 -3.31 115.31 114.61 3hug h LEU 70 Ca 0.02 -0.90 0.14 0.00 0.09 0.00 0.00 57.88 57.23 3hug h LEU 70 Cb 0.02 -0.20 -0.07 0.00 0.09 0.00 0.00 40.66 40.50 3hug h LEU 70 CO -0.00 1.76 0.58 -0.07 0.09 0.00 0.00 178.44 180.79 3hug h LEU 71 N 0.11 0.69 -0.47 1.67 4.07 0.28 -1.50 115.31 120.16 3hug h LEU 71 Ca -0.33 0.04 0.00 0.00 0.08 0.00 0.00 57.88 57.67 3hug h LEU 71 Cb 2.10 -0.10 0.00 0.00 1.08 0.00 0.00 40.66 43.75 3hug h LEU 71 CO 0.19 0.35 0.00 -1.54 -1.08 0.00 0.00 178.44 176.36 3hug n SER 72 N -4.57 0.33 0.00 -0.43 3.41 -0.09 -2.23 113.62 110.03 3hug n SER 72 Ca 0.17 0.60 0.11 0.00 -0.26 0.00 0.00 58.87 59.49 3hug n SER 72 Cb 0.45 -0.66 0.59 0.00 -0.26 0.00 0.00 64.21 64.33 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 -1.88 0.52 -4.41 4.33 6.02 -0.56 -4.75 117.38 116.65 3hug n GLN 73 Ca 0.02 0.04 -0.21 0.00 -0.01 0.00 0.00 57.00 56.83 3hug n GLN 73 Cb 0.15 -1.50 -0.10 0.00 1.02 0.00 0.00 30.24 29.80 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 -2.23 2.55 0.29 1.08 1.43 -0.95 -5.16 118.68 115.70 3hug s LEU 74 Ca 0.27 -1.09 0.06 0.00 -1.03 0.00 0.00 54.13 52.34 3hug s LEU 74 Cb 0.14 -0.77 -0.02 0.00 0.03 0.00 0.00 46.19 45.58 3hug s LEU 74 CO 0.27 -0.19 0.39 -1.81 0.23 0.00 0.00 176.35 175.25 3hug s ASP 75 N -3.41 6.06 0.41 2.29 1.01 -1.26 -5.02 116.67 116.75 3hug s ASP 75 Ca 0.27 -0.09 0.08 0.00 0.71 0.00 0.00 52.55 53.51 3hug s ASP 75 Cb 0.00 -1.51 0.87 0.00 1.01 0.00 0.00 42.92 43.29 3hug s ASP 75 CO 0.11 -0.24 2.04 0.08 0.21 0.00 0.00 175.17 177.37 3hug h ARG 76 N 1.07 0.54 -0.20 8.23 0.11 -1.99 -2.37 114.38 119.77 3hug h ARG 76 Ca -0.49 -0.03 -0.14 0.00 0.10 0.00 0.00 59.98 59.42 3hug h ARG 76 Cb 1.24 -0.12 -0.01 0.00 1.11 0.00 0.00 29.97 32.19 3hug h ARG 76 CO 0.57 0.36 -0.47 0.38 0.10 0.00 0.00 179.97 180.91 3hug h ASP 77 N 0.56 0.55 -0.85 0.08 3.04 -1.99 -0.64 116.42 117.17 3hug h ASP 77 Ca 0.18 -0.27 -0.01 0.00 -3.24 0.00 0.00 57.03 53.69 3hug h ASP 77 Cb 0.03 -0.16 -0.04 0.00 -1.04 0.00 0.00 39.33 38.13 3hug h ASP 77 CO -0.04 0.94 0.48 -0.33 -2.04 0.00 0.00 179.24 178.24 3hug h GLU 78 N 0.41 1.19 -0.19 4.15 5.08 -1.84 -1.06 114.58 122.31 3hug h GLU 78 Ca 0.02 -0.13 -0.06 0.00 -1.00 0.00 0.00 59.36 58.19 3hug h GLU 78 Cb 0.98 -0.24 -0.00 0.00 0.50 0.00 0.00 28.75 29.99 3hug h GLU 78 CO 0.09 0.86 -0.13 0.28 -1.00 0.00 0.00 179.01 179.11 3hug h VAL 79 N 1.19 1.32 -0.20 3.13 2.07 -1.11 -1.00 116.25 121.66 3hug h VAL 79 Ca 0.30 -1.23 0.06 0.00 0.82 0.00 0.00 66.70 66.65 3hug h VAL 79 Cb 0.02 1.71 -0.01 0.00 -1.52 0.00 0.00 31.29 31.49 3hug h VAL 79 CO -0.05 0.37 0.15 0.00 0.02 0.00 0.00 177.57 178.06 3hug h ALA 80 N 0.67 2.10 -0.11 1.67 0.00 -1.01 -0.70 119.26 121.88 3hug h ALA 80 Ca 0.04 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 3hug h ALA 80 Cb 0.64 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.44 3hug h ALA 80 CO 0.03 -0.25 -0.33 0.00 0.00 0.00 0.00 179.25 178.70 3hug h ALA 81 N 1.88 0.19 -0.68 0.00 0.00 -0.68 0.79 119.26 120.76 3hug h ALA 81 Ca 0.09 -0.43 0.05 0.00 0.00 0.00 0.00 54.91 54.62 3hug h ALA 81 Cb 0.39 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.11 3hug h ALA 81 CO -0.00 0.24 0.39 0.82 0.00 0.00 0.00 179.25 180.70 3hug h ILE 82 N -0.01 0.99 -0.45 0.00 2.04 -0.59 -0.12 117.51 119.37 3hug h ILE 82 Ca -0.01 -0.25 -0.08 0.00 1.00 0.00 0.00 64.86 65.53 3hug h ILE 82 Cb 0.95 0.21 -0.02 0.00 -0.74 0.00 0.00 36.82 37.22 3hug h ILE 82 CO 0.07 0.13 -0.03 0.28 0.00 0.00 0.00 178.15 178.60 3hug h SER 83 N 0.72 0.73 0.18 1.72 0.02 -0.96 -2.82 113.55 113.13 3hug h SER 83 Ca 0.30 -0.18 -0.10 0.00 -0.84 0.00 0.00 61.79 60.96 3hug h SER 83 Cb 0.16 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.50 3hug h SER 83 CO -0.17 0.82 -0.38 -0.08 -1.14 0.00 0.00 176.83 175.88 3hug h GLU 84 N 0.70 0.28 -0.07 3.45 4.57 -0.09 -3.10 114.58 120.32 3hug h GLU 84 Ca 0.13 -0.13 0.00 0.00 -1.18 0.00 0.00 59.36 58.19 3hug h GLU 84 Cb 0.48 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.06 3hug h GLU 84 CO 0.02 0.62 0.00 -1.13 -1.18 0.00 0.00 179.01 177.35 3hug n SER 85 N -4.05 1.28 -4.72 1.04 3.41 -0.13 -4.88 113.62 105.56 3hug n SER 85 Ca -0.01 -1.51 -0.42 0.00 -0.26 0.00 0.00 58.87 56.66 3hug n SER 85 Cb 0.46 -0.04 -0.03 0.00 -0.26 0.00 0.00 64.21 64.34 3hug n SER 85 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hug s ALA 86 N -1.92 3.63 -0.66 7.33 0.00 -1.13 -5.08 121.76 123.92 3hug s ALA 86 Ca 0.36 1.19 0.00 0.00 0.00 0.00 0.00 51.96 53.51 3hug s ALA 86 Cb 0.19 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.76 3hug s ALA 86 CO 0.30 -0.65 0.16 -2.30 0.00 0.00 0.00 175.76 173.28