#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 2.85 0.20 1.24 -0.00 -1.26 -4.79 115.22 113.46 3hug n HIS 25 Ca 0.00 -2.77 0.05 0.00 0.46 0.00 0.00 57.72 55.46 3hug n HIS 25 Cb 0.00 -1.90 0.42 0.00 -0.12 0.00 0.00 29.99 28.39 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 5.62 0.00 0.00 1.57 2.07 -2.08 -2.35 115.15 119.98 3hug h HIS 26 Ca 0.41 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.93 3hug h HIS 26 Cb 0.60 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.58 3hug h HIS 26 CO 1.27 0.33 0.00 1.88 -3.07 0.00 0.00 177.93 178.34 3hug h TYR 27 N 0.00 0.00 -0.01 6.12 -1.99 -2.03 -1.80 116.97 117.27 3hug h TYR 27 Ca -0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 3hug h TYR 27 Cb 0.68 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.41 3hug h TYR 27 CO 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 178.16 178.17 3hug h ALA 28 N 2.09 1.39 -0.00 3.88 0.00 -1.83 -0.54 119.26 124.25 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 0.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3hug h ALA 28 CO 0.00 -0.02 -0.22 -1.33 0.00 0.00 0.00 179.25 177.68 3hug n MET 29 N -3.62 0.36 0.04 0.00 2.81 -0.68 -4.14 117.12 111.89 3hug n MET 29 Ca -0.03 -0.15 0.12 0.00 -1.81 0.00 0.00 57.70 55.84 3hug n MET 29 Cb 0.09 -1.50 0.26 0.00 -0.71 0.00 0.00 33.22 31.36 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 -1.19 0.34 -0.16 2.03 7.02 -0.21 -4.50 117.44 120.76 3hug n TRP 30 Ca 0.10 0.10 -0.03 0.00 -1.02 0.00 0.00 57.50 56.65 3hug n TRP 30 Cb 0.32 -0.52 0.03 0.00 -2.42 0.00 0.00 31.31 28.72 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 -0.61 0.10 -0.99 2.03 -1.72 -0.08 116.42 115.15 3hug h ASP 31 Ca 0.00 0.17 -0.00 0.00 -0.73 0.00 0.00 57.03 56.46 3hug h ASP 31 Cb 0.64 0.37 0.00 0.00 -0.83 0.00 0.00 39.33 39.51 3hug h ASP 31 CO 0.00 -0.21 -0.05 0.00 -1.03 0.00 0.00 179.24 177.95 3hug h ALA 32 N 1.40 -0.13 -0.37 4.15 0.00 -1.91 -0.56 119.26 121.84 3hug h ALA 32 Ca 0.25 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 55.11 3hug h ALA 32 Cb 0.43 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 3hug h ALA 32 CO -0.56 -0.51 0.11 0.00 0.00 0.00 0.00 179.25 178.30 3hug h ALA 33 N 0.62 0.42 0.12 0.00 0.00 -1.75 0.30 119.26 118.97 3hug h ALA 33 Ca -0.01 0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.97 3hug h ALA 33 Cb 0.22 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 3hug h ALA 33 CO 0.02 -0.29 -0.36 -0.92 0.00 0.00 0.00 179.25 177.70 3hug h TYR 34 N 0.25 -1.00 0.00 0.00 3.20 -0.95 0.86 116.97 119.33 3hug h TYR 34 Ca 0.17 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.04 3hug h TYR 34 Cb 0.17 0.42 -0.00 0.00 1.54 0.00 0.00 36.73 38.85 3hug h TYR 34 CO -0.16 -0.47 -0.14 0.28 -1.64 0.00 0.00 178.16 176.03 3hug h VAL 35 N -0.59 0.46 0.00 1.81 2.07 -0.66 -2.52 116.25 116.82 3hug h VAL 35 Ca 0.03 -0.73 0.00 0.00 0.82 0.00 0.00 66.70 66.82 3hug h VAL 35 Cb 0.62 1.51 0.00 0.00 -1.52 0.00 0.00 31.29 31.90 3hug h VAL 35 CO -0.21 0.14 -0.69 -0.07 0.02 0.00 0.00 177.57 176.75 3hug h LEU 36 N 0.00 0.00 0.00 2.57 3.38 0.10 -3.46 115.31 117.90 3hug h LEU 36 Ca -0.00 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.88 3hug h LEU 36 Cb 0.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.25 3hug h LEU 36 CO 0.02 0.04 0.00 0.61 0.09 0.00 0.00 178.44 179.20 3hug n GLY 37 N 1.24 0.96 0.20 0.83 0.00 0.11 -4.98 105.19 103.53 3hug n GLY 37 Ca 0.02 -0.05 0.12 0.00 0.00 0.00 0.00 46.02 46.10 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 -1.78 3.62 -1.76 4.61 0.00 -0.10 -4.89 120.51 120.20 3hug n ALA 38 Ca 0.00 -0.48 -0.39 0.00 0.00 0.00 0.00 53.44 52.57 3hug n ALA 38 Cb 0.00 -0.98 -0.06 0.00 0.00 0.00 0.00 19.45 18.41 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 4.50 0.95 0.00 1.02 -1.25 -5.00 118.68 116.20 3hug s LEU 39 Ca 0.17 1.98 -0.12 0.00 0.02 0.00 0.00 54.13 56.18 3hug s LEU 39 Cb 0.18 -3.78 0.16 0.00 0.02 0.00 0.00 46.19 42.77 3hug s LEU 39 CO 0.64 -0.01 1.09 -0.94 0.02 0.00 0.00 176.35 177.15 3hug s SER 40 N -1.29 2.90 0.20 2.29 1.04 -1.26 -4.72 113.70 112.86 3hug s SER 40 Ca 0.46 1.54 -0.11 0.00 0.48 0.00 0.00 55.95 58.32 3hug s SER 40 Cb -0.24 -2.20 0.21 0.00 0.10 0.00 0.00 66.02 63.88 3hug s SER 40 CO 0.31 -3.01 1.79 0.00 0.98 0.00 0.00 173.24 173.31 3hug h ALA 41 N -1.80 0.78 -0.24 5.32 0.00 -1.99 0.15 119.26 121.47 3hug h ALA 41 Ca -0.51 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3hug h ALA 41 Cb 1.29 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 3hug h ALA 41 CO 0.53 -0.05 0.16 0.00 0.00 0.00 0.00 179.25 179.88 3hug h ALA 42 N 1.33 0.31 -0.43 0.00 0.00 -2.01 -2.61 119.26 115.85 3hug h ALA 42 Ca 0.27 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 55.05 3hug h ALA 42 Cb 0.20 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3hug h ALA 42 CO -0.19 -0.23 -0.20 -0.44 0.00 0.00 0.00 179.25 178.19 3hug h ASP 43 N 0.32 0.85 -0.93 0.00 5.19 -1.76 -2.49 116.42 117.61 3hug h ASP 43 Ca 0.09 -0.30 0.01 0.00 -0.62 0.00 0.00 57.03 56.20 3hug h ASP 43 Cb -0.03 -0.23 -0.05 0.00 0.18 0.00 0.00 39.33 39.20 3hug h ASP 43 CO -0.02 1.03 0.61 -0.09 -3.12 0.00 0.00 179.24 177.65 3hug h ARG 44 N 0.74 1.24 -0.34 3.56 2.43 -0.62 0.06 114.38 121.44 3hug h ARG 44 Ca 0.10 -0.08 -0.07 0.00 -0.81 0.00 0.00 59.98 59.13 3hug h ARG 44 Cb 0.73 -0.28 -0.01 0.00 -0.42 0.00 0.00 29.97 29.99 3hug h ARG 44 CO 0.06 0.83 -0.05 0.00 -1.51 0.00 0.00 179.97 179.29 3hug h ARG 45 N 1.27 0.64 -0.53 0.20 3.08 -1.33 0.19 114.38 117.90 3hug h ARG 45 Ca 0.34 -0.23 0.06 0.00 0.07 0.00 0.00 59.98 60.22 3hug h ARG 45 Cb -0.13 -0.04 -0.05 0.00 0.08 0.00 0.00 29.97 29.82 3hug h ARG 45 CO -0.07 0.79 0.24 0.93 -1.07 0.00 0.00 179.97 180.79 3hug h GLU 46 N 0.44 0.44 -0.26 0.04 5.08 -1.20 0.17 114.58 119.28 3hug h GLU 46 Ca 0.09 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.36 3hug h GLU 46 Cb 0.53 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 3hug h GLU 46 CO 0.03 0.29 -0.09 0.35 -1.00 0.00 0.00 179.01 178.59 3hug h PHE 47 N 0.45 0.59 -0.67 4.33 3.57 -0.71 -1.21 116.94 123.30 3hug h PHE 47 Ca 0.25 -0.13 0.04 0.00 3.53 0.00 0.00 57.97 61.65 3hug h PHE 47 Cb 0.22 -0.14 -0.04 0.00 2.79 0.00 0.00 35.95 38.77 3hug h PHE 47 CO -0.13 0.75 0.40 0.93 -2.23 0.00 0.00 178.31 178.03 3hug h GLU 48 N 0.26 0.76 -0.60 1.11 5.08 -0.51 0.49 114.58 121.18 3hug h GLU 48 Ca 0.06 -0.05 0.07 0.00 -1.00 0.00 0.00 59.36 58.45 3hug h GLU 48 Cb 0.57 -0.17 -0.06 0.00 0.50 0.00 0.00 28.75 29.59 3hug h GLU 48 CO 0.03 0.50 0.28 0.00 -1.00 0.00 0.00 179.01 178.82 3hug h ALA 49 N 1.30 0.78 -0.10 3.43 0.00 -0.84 -1.40 119.26 122.44 3hug h ALA 49 Ca 0.28 0.04 -0.11 0.00 0.00 0.00 0.00 54.91 55.12 3hug h ALA 49 Cb 0.06 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3hug h ALA 49 CO -0.12 -0.09 -0.43 1.25 0.00 0.00 0.00 179.25 179.85 3hug h HIS 50 N 0.52 0.26 -0.68 0.00 -0.00 0.05 -2.80 115.15 112.49 3hug h HIS 50 Ca 0.28 -0.07 -0.05 0.00 -0.00 0.00 0.00 60.37 60.53 3hug h HIS 50 Cb 0.25 -0.06 -0.03 0.00 -0.00 0.00 0.00 27.41 27.57 3hug h HIS 50 CO -0.12 0.62 0.24 -0.07 -0.00 0.00 0.00 177.93 178.60 3hug h LEU 51 N 0.18 0.96 -1.73 0.26 3.38 0.84 -0.96 115.31 118.25 3hug h LEU 51 Ca 0.01 -0.16 0.10 0.00 0.09 0.00 0.00 57.88 57.93 3hug h LEU 51 Cb 0.84 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.31 3hug h LEU 51 CO 0.07 0.88 0.37 0.00 0.09 0.00 0.00 178.44 179.84 3hug h ALA 52 N 1.25 2.10 -0.20 1.53 0.00 -1.01 -2.65 119.26 120.28 3hug h ALA 52 Ca 0.23 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3hug h ALA 52 Cb 0.25 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3hug h ALA 52 CO -0.01 -0.22 0.00 0.41 0.00 0.00 0.00 179.25 179.43 3hug n GLY 53 N -1.54 2.94 2.86 0.00 0.00 -0.97 -4.95 105.19 103.53 3hug n GLY 53 Ca 0.09 -0.26 -0.29 0.00 0.00 0.00 0.00 46.02 45.56 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 8.09 0.00 0.38 0.00 0.11 -1.90 -2.28 132.00 136.41 3hug h PRO 55 Ca -0.19 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.90 3hug h PRO 55 Cb 1.10 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 3hug h PRO 55 CO 0.39 0.63 -0.23 0.93 -0.21 0.00 0.00 178.00 179.50 3hug h GLU 56 N 0.00 -0.56 0.00 1.05 3.07 -1.96 0.95 114.58 117.12 3hug h GLU 56 Ca -0.01 0.04 -0.04 0.00 -0.50 0.00 0.00 59.36 58.85 3hug h GLU 56 Cb 1.15 0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 29.18 3hug h GLU 56 CO 0.08 -0.37 -0.21 0.00 -1.40 0.00 0.00 179.01 177.11 3hug h ARG 58 N 0.00 0.80 -0.28 0.00 2.43 -1.06 -1.20 114.38 115.07 3hug h ARG 58 Ca -0.00 -0.45 -0.14 0.00 -0.81 0.00 0.00 59.98 58.58 3hug h ARG 58 Cb 0.40 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.97 3hug h ARG 58 CO 0.03 1.08 -0.39 0.78 -1.51 0.00 0.00 179.97 179.95 3hug h GLY 59 N 0.86 0.72 0.87 2.80 0.00 0.27 -2.26 103.07 106.34 3hug h GLY 59 Ca 0.04 -0.72 -0.02 0.00 0.00 0.00 0.00 47.33 46.63 3hug h GLY 59 CO 0.10 0.65 -0.30 0.00 0.00 0.00 0.00 176.54 176.99 3hug h ALA 60 N 1.01 -0.76 -0.81 3.60 0.00 -0.73 -1.07 119.26 120.51 3hug h ALA 60 Ca 0.05 -0.15 0.15 0.00 0.00 0.00 0.00 54.91 54.96 3hug h ALA 60 Cb 0.92 0.37 -0.06 0.00 0.00 0.00 0.00 17.79 19.02 3hug h ALA 60 CO 0.08 -0.94 0.54 0.28 0.00 0.00 0.00 179.25 179.21 3hug h VAL 61 N -0.76 0.79 -0.44 0.00 2.07 -1.15 -0.68 116.25 116.09 3hug h VAL 61 Ca -0.06 -0.17 -0.11 0.00 0.82 0.00 0.00 66.70 67.18 3hug h VAL 61 Cb 0.62 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 3hug h VAL 61 CO 0.06 0.09 -0.15 0.74 0.02 0.00 0.00 177.57 178.32 3hug h THR 62 N 0.50 1.27 -0.99 2.57 2.02 -0.92 -1.11 112.91 116.25 3hug h THR 62 Ca 0.40 -1.29 0.08 0.00 0.77 0.00 0.00 66.41 66.38 3hug h THR 62 Cb 0.85 1.19 -0.07 0.00 -1.74 0.00 0.00 68.15 68.38 3hug h THR 62 CO -0.15 0.44 0.64 -0.33 0.37 0.00 0.00 175.52 176.48 3hug h GLU 63 N 0.70 1.06 0.00 6.66 5.08 0.17 -2.92 114.58 125.33 3hug h GLU 63 Ca 0.10 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 3hug h GLU 63 Cb 0.71 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.72 3hug h GLU 63 CO 0.05 0.70 -0.55 1.28 -1.00 0.00 0.00 179.01 179.49 3hug n LEU 64 N -4.53 0.59 0.00 1.33 4.77 -1.02 -4.46 117.00 113.69 3hug n LEU 64 Ca 0.16 0.16 0.02 0.00 -0.03 0.00 0.00 56.01 56.32 3hug n LEU 64 Cb 0.24 -0.22 0.09 0.00 -2.33 0.00 0.00 43.42 41.20 3hug n LEU 64 CO 0.31 0.01 0.39 0.00 -1.33 0.00 0.00 177.39 176.77 3hug n GLY 66 N -0.90 0.49 0.12 0.00 0.00 -1.26 -4.67 105.19 98.96 3hug n GLY 66 Ca 0.02 -0.48 -0.20 0.00 0.00 0.00 0.00 46.02 45.36 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 3.18 1.35 -0.98 1.61 2.07 -1.18 -2.99 116.25 119.31 3hug h VAL 67 Ca 0.00 -2.49 0.11 0.00 0.82 0.00 0.00 66.70 65.14 3hug h VAL 67 Cb 0.70 3.03 -0.08 0.00 -1.52 0.00 0.00 31.29 33.42 3hug h VAL 67 CO 0.00 0.70 0.62 -0.65 0.02 0.00 0.00 177.57 178.27 3hug h PRO 68 N -0.37 0.96 -0.81 1.57 0.11 -1.83 0.27 132.00 131.90 3hug h PRO 68 Ca -0.20 -0.06 0.05 0.00 0.11 0.00 0.00 66.00 65.90 3hug h PRO 68 Cb 1.67 -0.22 -0.06 0.00 0.11 0.00 0.00 31.00 32.51 3hug h PRO 68 CO 0.11 0.63 0.50 0.00 -0.21 0.00 0.00 178.00 179.04 3hug h ALA 69 N 1.53 1.09 -0.15 -0.75 0.00 -1.84 0.37 119.26 119.52 3hug h ALA 69 Ca 0.48 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.29 3hug h ALA 69 Cb 0.45 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 3hug h ALA 69 CO -0.24 0.27 -0.23 -0.07 0.00 0.00 0.00 179.25 178.98 3hug h LEU 70 N 0.95 0.47 -1.09 0.00 3.38 -1.00 -3.18 115.31 114.84 3hug h LEU 70 Ca 0.34 -0.52 0.15 0.00 0.09 0.00 0.00 57.88 57.94 3hug h LEU 70 Cb 0.11 -0.13 -0.09 0.00 0.09 0.00 0.00 40.66 40.64 3hug h LEU 70 CO -0.15 0.90 0.61 -0.07 0.09 0.00 0.00 178.44 179.83 3hug h LEU 71 N 0.05 0.81 0.00 1.67 4.07 0.27 -1.77 115.31 120.41 3hug h LEU 71 Ca 0.01 0.06 0.00 0.00 0.08 0.00 0.00 57.88 58.03 3hug h LEU 71 Cb 0.80 -0.10 0.00 0.00 1.08 0.00 0.00 40.66 42.44 3hug h LEU 71 CO 0.05 0.39 0.00 -1.54 -1.08 0.00 0.00 178.44 176.26 3hug n SER 72 N -4.64 0.00 0.00 -0.43 3.41 0.12 -1.80 113.62 110.28 3hug n SER 72 Ca 0.20 0.21 0.09 0.00 -0.26 0.00 0.00 58.87 59.11 3hug n SER 72 Cb 0.45 -0.36 0.43 0.00 -0.26 0.00 0.00 64.21 64.47 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 -1.36 0.06 -4.38 4.33 6.02 -0.67 -4.77 117.38 116.61 3hug n GLN 73 Ca 0.06 0.15 -0.29 0.00 -0.01 0.00 0.00 57.00 56.92 3hug n GLN 73 Cb 0.15 -1.50 -0.12 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 -2.91 2.44 0.37 1.08 1.43 -0.75 -5.13 118.68 115.21 3hug s LEU 74 Ca 0.11 -0.73 -0.16 0.00 -1.03 0.00 0.00 54.13 52.33 3hug s LEU 74 Cb 0.13 -1.29 -0.09 0.00 0.03 0.00 0.00 46.19 44.97 3hug s LEU 74 CO 0.34 0.17 0.80 -1.81 0.23 0.00 0.00 176.35 176.08 3hug s ASP 75 N -2.22 6.76 0.58 2.29 1.01 -1.26 -4.94 116.67 118.89 3hug s ASP 75 Ca 0.16 1.35 0.31 0.00 0.71 0.00 0.00 52.55 55.09 3hug s ASP 75 Cb -0.10 -2.41 1.35 0.00 1.01 0.00 0.00 42.92 42.78 3hug s ASP 75 CO 0.08 -0.29 1.69 -0.09 0.21 0.00 0.00 175.17 176.77 3hug h ARG 76 N 1.95 0.00 0.12 8.23 2.43 -1.98 -2.11 114.38 123.01 3hug h ARG 76 Ca -0.48 0.00 -0.34 0.00 -0.81 0.00 0.00 59.98 58.35 3hug h ARG 76 Cb 1.18 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.71 3hug h ARG 76 CO 0.64 0.00 -1.80 0.22 -1.51 0.00 0.00 179.97 177.52 3hug h ASP 77 N 0.00 0.39 -0.40 -3.80 3.58 -1.99 -2.76 116.42 111.44 3hug h ASP 77 Ca 0.41 -0.72 -0.02 0.00 0.42 0.00 0.00 57.03 57.12 3hug h ASP 77 Cb 2.05 -0.13 -0.02 0.00 1.72 0.00 0.00 39.33 42.95 3hug h ASP 77 CO -0.00 1.62 0.19 -0.33 -2.88 0.00 0.00 179.24 177.84 3hug h GLU 78 N 0.07 0.63 -0.11 0.28 5.08 -1.78 -1.82 114.58 116.92 3hug h GLU 78 Ca -0.35 -0.08 -0.18 0.00 -1.00 0.00 0.00 59.36 57.75 3hug h GLU 78 Cb 2.04 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 31.17 3hug h GLU 78 CO 0.12 0.51 -0.69 0.28 -1.00 0.00 0.00 179.01 178.23 3hug h VAL 79 N 0.63 1.35 -0.86 3.13 2.07 -1.52 -3.00 116.25 118.05 3hug h VAL 79 Ca 0.16 -2.03 -0.01 0.00 0.82 0.00 0.00 66.70 65.63 3hug h VAL 79 Cb 0.10 2.01 -0.04 0.00 -1.52 0.00 0.00 31.29 31.85 3hug h VAL 79 CO -0.02 0.62 0.50 0.00 0.02 0.00 0.00 177.57 178.69 3hug h ALA 80 N 0.90 1.10 -0.97 1.67 0.00 -1.16 -1.35 119.26 119.45 3hug h ALA 80 Ca -0.02 -0.11 0.14 0.00 0.00 0.00 0.00 54.91 54.91 3hug h ALA 80 Cb 1.27 -0.34 -0.08 0.00 0.00 0.00 0.00 17.79 18.63 3hug h ALA 80 CO 0.12 0.58 0.61 0.00 0.00 0.00 0.00 179.25 180.57 3hug h ALA 81 N 1.27 1.66 -0.10 0.00 0.00 -1.23 -2.94 119.26 117.91 3hug h ALA 81 Ca 0.31 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.21 3hug h ALA 81 Cb -0.01 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 3hug h ALA 81 CO -0.05 0.07 -0.09 0.82 0.00 0.00 0.00 179.25 180.00 3hug h ILE 82 N 0.85 1.36 0.00 0.00 2.04 -1.13 -2.74 117.51 117.90 3hug h ILE 82 Ca 0.50 -1.24 0.00 0.00 1.00 0.00 0.00 64.86 65.11 3hug h ILE 82 Cb 0.64 1.97 0.00 0.00 -0.74 0.00 0.00 36.82 38.69 3hug h ILE 82 CO -0.26 0.35 0.00 -1.20 0.00 0.00 0.00 178.15 177.04 3hug n SER 83 N -4.66 0.00 0.00 1.72 7.64 -0.96 -5.13 113.62 112.22 3hug n SER 83 Ca -0.07 0.28 0.00 0.00 1.01 0.00 0.00 58.87 60.10 3hug n SER 83 Cb 0.32 -0.33 0.00 0.00 -1.01 0.00 0.00 64.21 63.19 3hug n SER 83 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24