#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hug h HIS 26 N 0.00 0.00 -0.69 -1.40 -0.00 -2.09 -3.09 115.15 107.88 3hug h HIS 26 Ca 0.00 0.00 0.14 0.00 -0.00 0.00 0.00 60.37 60.51 3hug h HIS 26 Cb 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 27.41 27.31 3hug h HIS 26 CO 0.00 0.14 0.20 1.88 -0.00 0.00 0.00 177.93 180.15 3hug h TYR 27 N 0.00 0.34 -1.34 6.12 0.05 -2.04 -1.84 116.97 118.26 3hug h TYR 27 Ca -0.00 0.04 0.39 0.00 0.05 0.00 0.00 58.73 59.21 3hug h TYR 27 Cb 0.44 -0.04 -0.05 0.00 1.01 0.00 0.00 36.73 38.09 3hug h TYR 27 CO 0.00 -0.01 1.11 0.00 -1.05 0.00 0.00 178.16 178.21 3hug h ALA 28 N 1.54 3.24 -0.00 3.88 0.00 -1.99 1.18 119.26 127.11 3hug h ALA 28 Ca 0.38 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.24 3hug h ALA 28 Cb 0.59 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.48 3hug h ALA 28 CO -0.43 -1.80 -0.03 -1.33 0.00 0.00 0.00 179.25 175.67 3hug n MET 29 N -3.80 0.65 0.03 0.00 2.81 -0.69 -3.93 117.12 112.19 3hug n MET 29 Ca 0.30 -0.07 0.12 0.00 -1.81 0.00 0.00 57.70 56.23 3hug n MET 29 Cb 1.53 -1.50 0.12 0.00 -0.71 0.00 0.00 33.22 32.66 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 -1.11 0.26 -0.23 2.03 7.02 0.41 -4.44 117.44 121.37 3hug n TRP 30 Ca 0.17 0.08 0.03 0.00 -1.02 0.00 0.00 57.50 56.76 3hug n TRP 30 Cb 0.22 -0.43 0.13 0.00 -2.42 0.00 0.00 31.31 28.82 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 -0.32 0.16 -0.99 2.03 -1.71 -0.19 116.42 115.41 3hug h ASP 31 Ca 0.00 0.18 -0.01 0.00 -0.73 0.00 0.00 57.03 56.47 3hug h ASP 31 Cb 0.66 0.31 0.00 0.00 -0.83 0.00 0.00 39.33 39.47 3hug h ASP 31 CO 0.00 -0.15 -0.08 0.00 -1.03 0.00 0.00 179.24 177.98 3hug h ALA 32 N 1.64 -0.22 -0.89 4.15 0.00 -1.90 -1.68 119.26 120.37 3hug h ALA 32 Ca 0.37 -0.23 0.17 0.00 0.00 0.00 0.00 54.91 55.22 3hug h ALA 32 Cb 0.63 0.08 -0.16 0.00 0.00 0.00 0.00 17.79 18.34 3hug h ALA 32 CO -0.61 -0.33 -0.26 0.00 0.00 0.00 0.00 179.25 178.05 3hug h ALA 33 N -0.17 0.47 -0.03 0.00 0.00 -1.82 0.58 119.26 118.29 3hug h ALA 33 Ca -0.02 0.32 0.01 0.00 0.00 0.00 0.00 54.91 55.22 3hug h ALA 33 Cb 0.53 0.75 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 3hug h ALA 33 CO 0.04 -0.46 -0.04 -0.92 0.00 0.00 0.00 179.25 177.87 3hug h TYR 34 N -0.01 -0.10 0.00 0.00 3.20 -0.89 -0.82 116.97 118.34 3hug h TYR 34 Ca 0.40 0.01 -0.12 0.00 3.14 0.00 0.00 58.73 62.16 3hug h TYR 34 Cb 0.64 0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.94 3hug h TYR 34 CO -0.73 -0.07 -0.58 0.28 -1.64 0.00 0.00 178.16 175.43 3hug h VAL 35 N -0.06 1.39 0.00 1.81 2.07 -0.24 -2.48 116.25 118.74 3hug h VAL 35 Ca 0.03 -1.99 0.00 0.00 0.82 0.00 0.00 66.70 65.56 3hug h VAL 35 Cb 0.10 2.08 0.00 0.00 -1.52 0.00 0.00 31.29 31.95 3hug h VAL 35 CO -0.07 0.56 0.00 0.18 0.02 0.00 0.00 177.57 178.26 3hug n LEU 36 N -3.81 0.00 -0.25 2.57 4.77 0.19 -4.85 117.00 115.62 3hug n LEU 36 Ca -0.01 0.09 -0.03 0.00 -0.03 0.00 0.00 56.01 56.03 3hug n LEU 36 Cb 0.59 -0.09 -0.01 0.00 -2.33 0.00 0.00 43.42 41.57 3hug n LEU 36 CO 0.41 -0.00 -0.03 0.61 -1.33 0.00 0.00 177.39 177.05 3hug n GLY 37 N 1.09 0.63 0.48 -0.72 0.00 -0.87 -4.96 105.19 100.85 3hug n GLY 37 Ca 0.21 -0.84 0.12 0.00 0.00 0.00 0.00 46.02 45.51 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 1.06 3.19 -2.45 4.61 0.00 -0.37 -4.89 120.51 121.65 3hug n ALA 38 Ca -0.03 -0.56 -0.42 0.00 0.00 0.00 0.00 53.44 52.43 3hug n ALA 38 Cb 0.11 -0.93 -0.03 0.00 0.00 0.00 0.00 19.45 18.60 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 -2.38 4.33 1.03 0.00 1.02 -1.24 -5.00 118.68 116.43 3hug s LEU 39 Ca 0.23 1.90 -0.14 0.00 0.02 0.00 0.00 54.13 56.14 3hug s LEU 39 Cb 0.19 -3.57 0.11 0.00 0.02 0.00 0.00 46.19 42.94 3hug s LEU 39 CO 0.50 -0.51 0.48 -1.54 0.02 0.00 0.00 176.35 175.30 3hug n SER 40 N 4.53 -1.77 -0.07 2.29 3.41 -1.26 -4.51 113.62 116.24 3hug n SER 40 Ca 0.10 0.13 -0.01 0.00 -0.26 0.00 0.00 58.87 58.83 3hug n SER 40 Cb 0.47 -1.18 0.27 0.00 -0.26 0.00 0.00 64.21 63.50 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 -1.93 1.36 -0.35 7.33 0.00 -1.99 0.12 119.26 123.81 3hug h ALA 41 Ca -0.49 -0.17 -0.17 0.00 0.00 0.00 0.00 54.91 54.09 3hug h ALA 41 Cb 1.31 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 3hug h ALA 41 CO 0.39 0.46 -0.44 0.00 0.00 0.00 0.00 179.25 179.66 3hug h ALA 42 N 1.47 0.56 -0.41 0.00 0.00 -2.00 -2.54 119.26 116.34 3hug h ALA 42 Ca 0.16 -0.47 -0.15 0.00 0.00 0.00 0.00 54.91 54.44 3hug h ALA 42 Cb 0.22 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3hug h ALA 42 CO -0.01 0.68 -0.33 -0.44 0.00 0.00 0.00 179.25 179.16 3hug h ASP 43 N 0.72 0.98 -0.29 0.00 3.32 -1.81 -2.15 116.42 117.20 3hug h ASP 43 Ca 0.05 -0.42 0.03 0.00 0.02 0.00 0.00 57.03 56.70 3hug h ASP 43 Cb 1.03 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 40.28 3hug h ASP 43 CO 0.10 1.21 0.11 -0.09 -1.72 0.00 0.00 179.24 178.86 3hug h ARG 44 N 0.78 0.24 -0.59 3.56 2.43 -0.75 0.31 114.38 120.36 3hug h ARG 44 Ca 0.08 -0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 59.16 3hug h ARG 44 Cb 0.91 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.38 3hug h ARG 44 CO 0.08 0.16 0.06 0.00 -1.51 0.00 0.00 179.97 178.76 3hug h ARG 45 N 0.25 0.98 -0.36 0.20 3.08 -1.40 -0.24 114.38 116.89 3hug h ARG 45 Ca 0.12 -0.26 0.05 0.00 0.07 0.00 0.00 59.98 59.96 3hug h ARG 45 Cb 0.08 -0.11 -0.05 0.00 0.08 0.00 0.00 29.97 29.97 3hug h ARG 45 CO -0.11 0.92 0.08 1.49 -1.07 0.00 0.00 179.97 181.28 3hug h GLU 46 N 0.91 0.19 -0.52 0.04 4.81 -0.99 -1.18 114.58 117.84 3hug h GLU 46 Ca 0.18 -0.01 -0.10 0.00 -0.13 0.00 0.00 59.36 59.29 3hug h GLU 46 Cb 0.45 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.77 3hug h GLU 46 CO 0.02 0.13 -0.09 0.35 -0.73 0.00 0.00 179.01 178.68 3hug h PHE 47 N 0.20 1.05 -0.48 0.92 3.57 -0.71 -1.00 116.94 120.49 3hug h PHE 47 Ca 0.17 -0.20 -0.07 0.00 3.53 0.00 0.00 57.97 61.39 3hug h PHE 47 Cb 0.19 -0.27 -0.02 0.00 2.79 0.00 0.00 35.95 38.64 3hug h PHE 47 CO -0.18 0.98 -0.00 0.93 -2.23 0.00 0.00 178.31 177.81 3hug h GLU 48 N 0.86 0.80 0.28 1.11 5.08 -0.81 0.15 114.58 122.06 3hug h GLU 48 Ca 0.14 -0.22 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 3hug h GLU 48 Cb 0.63 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.79 3hug h GLU 48 CO 0.04 0.81 -0.14 0.00 -1.00 0.00 0.00 179.01 178.73 3hug h ALA 49 N 1.25 -0.38 -0.98 3.43 0.00 -1.05 -2.85 119.26 118.67 3hug h ALA 49 Ca 0.15 -0.13 0.14 0.00 0.00 0.00 0.00 54.91 55.06 3hug h ALA 49 Cb 0.46 0.15 -0.09 0.00 0.00 0.00 0.00 17.79 18.31 3hug h ALA 49 CO 0.02 -0.64 0.62 1.25 0.00 0.00 0.00 179.25 180.49 3hug h HIS 50 N -0.52 1.06 -0.37 0.00 -0.00 -0.90 -2.16 115.15 112.26 3hug h HIS 50 Ca -0.04 0.03 -0.04 0.00 -0.00 0.00 0.00 60.37 60.32 3hug h HIS 50 Cb 0.39 -0.33 -0.02 0.00 -0.00 0.00 0.00 27.41 27.45 3hug h HIS 50 CO -0.02 0.37 0.06 -0.07 -0.00 0.00 0.00 177.93 178.28 3hug h LEU 51 N 0.88 0.51 -1.43 0.26 3.38 -0.55 -1.73 115.31 116.63 3hug h LEU 51 Ca 0.51 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 58.37 3hug h LEU 51 Cb 0.63 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 3hug h LEU 51 CO -0.28 0.54 0.08 0.00 0.09 0.00 0.00 178.44 178.87 3hug h ALA 52 N 1.53 1.55 -0.49 1.53 0.00 -1.15 -2.75 119.26 119.48 3hug h ALA 52 Ca 0.12 -0.13 -0.33 0.00 0.00 0.00 0.00 54.91 54.57 3hug h ALA 52 Cb 0.25 -0.14 -0.23 0.00 0.00 0.00 0.00 17.79 17.68 3hug h ALA 52 CO 0.00 0.34 -0.39 0.41 0.00 0.00 0.00 179.25 179.61 3hug n GLY 53 N -1.13 5.66 2.53 0.00 0.00 -1.00 -4.88 105.19 106.37 3hug n GLY 53 Ca 0.01 -1.93 -0.23 0.00 0.00 0.00 0.00 46.02 43.88 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 6.29 0.00 0.12 0.00 0.11 -1.90 -0.82 132.00 135.81 3hug h PRO 55 Ca 0.14 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.25 3hug h PRO 55 Cb 0.98 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.09 3hug h PRO 55 CO 0.27 0.00 -0.06 0.93 -0.21 0.00 0.00 178.00 178.93 3hug h GLU 56 N 0.00 -0.15 -0.66 1.05 5.08 -1.95 -2.07 114.58 115.88 3hug h GLU 56 Ca 0.36 0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.75 3hug h GLU 56 Cb 1.93 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 31.18 3hug h GLU 56 CO -0.00 0.33 0.42 0.00 -1.00 0.00 0.00 179.01 178.75 3hug h ARG 58 N 0.83 0.68 -0.05 0.00 2.43 -1.21 -0.59 114.38 116.48 3hug h ARG 58 Ca 0.26 -0.04 -0.15 0.00 -0.81 0.00 0.00 59.98 59.24 3hug h ARG 58 Cb -0.02 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.36 3hug h ARG 58 CO -0.09 0.45 -0.63 0.78 -1.51 0.00 0.00 179.97 178.97 3hug h GLY 59 N 0.70 0.20 0.95 2.80 0.00 -0.56 -2.39 103.07 104.77 3hug h GLY 59 Ca 0.42 -0.26 0.01 0.00 0.00 0.00 0.00 47.33 47.49 3hug h GLY 59 CO -0.30 0.23 0.03 0.00 0.00 0.00 0.00 176.54 176.50 3hug h ALA 60 N 1.21 0.08 -0.76 3.60 0.00 0.39 -1.77 119.26 122.02 3hug h ALA 60 Ca -0.01 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 3hug h ALA 60 Cb 1.14 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.90 3hug h ALA 60 CO 0.09 -0.44 0.28 -0.39 0.00 0.00 0.00 179.25 178.79 3hug h VAL 61 N 0.07 1.26 -0.98 0.00 -1.51 -1.04 -2.09 116.25 111.95 3hug h VAL 61 Ca 0.03 -0.85 0.11 0.00 -1.23 0.00 0.00 66.70 64.76 3hug h VAL 61 Cb 0.01 0.39 -0.08 0.00 -2.13 0.00 0.00 31.29 29.48 3hug h VAL 61 CO -0.03 0.34 0.62 0.74 -1.23 0.00 0.00 177.57 178.02 3hug h THR 62 N 1.11 0.94 -0.12 7.19 2.02 -1.30 0.12 112.91 122.87 3hug h THR 62 Ca 0.25 -0.34 -0.03 0.00 0.77 0.00 0.00 66.41 67.06 3hug h THR 62 Cb 0.26 -0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 66.53 3hug h THR 62 CO -0.02 0.18 -0.05 -0.33 0.37 0.00 0.00 175.52 175.67 3hug h GLU 63 N 0.99 0.18 -0.01 6.66 5.08 -0.62 -3.18 114.58 123.67 3hug h GLU 63 Ca 0.48 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.81 3hug h GLU 63 Cb 0.46 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.67 3hug h GLU 63 CO -0.24 0.25 -0.51 1.28 -1.00 0.00 0.00 179.01 178.78 3hug n LEU 64 N -4.37 1.84 0.12 1.33 4.77 -0.11 -4.56 117.00 116.01 3hug n LEU 64 Ca -0.01 -0.69 0.11 0.00 -0.03 0.00 0.00 56.01 55.39 3hug n LEU 64 Cb 0.19 -0.01 0.47 0.00 -2.33 0.00 0.00 43.42 41.74 3hug n LEU 64 CO 0.36 0.35 0.83 0.00 -1.33 0.00 0.00 177.39 177.60 3hug n GLY 66 N -0.18 -1.19 0.14 0.00 0.00 -1.26 -4.41 105.19 98.29 3hug n GLY 66 Ca 0.02 -0.23 -0.20 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 0.25 1.44 -0.71 1.61 2.07 -1.31 -3.00 116.25 116.59 3hug h VAL 67 Ca 0.00 -2.35 0.09 0.00 0.82 0.00 0.00 66.70 65.26 3hug h VAL 67 Cb 0.43 2.88 -0.07 0.00 -1.52 0.00 0.00 31.29 33.01 3hug h VAL 67 CO 0.00 0.68 0.35 -0.65 0.02 0.00 0.00 177.57 177.98 3hug h PRO 68 N -0.15 0.58 -0.89 1.57 0.11 -1.77 0.24 132.00 131.69 3hug h PRO 68 Ca -0.13 -0.04 0.13 0.00 0.11 0.00 0.00 66.00 66.08 3hug h PRO 68 Cb 1.58 -0.13 -0.07 0.00 0.11 0.00 0.00 31.00 32.49 3hug h PRO 68 CO 0.16 0.39 0.58 0.00 -0.21 0.00 0.00 178.00 178.91 3hug h ALA 69 N 1.43 1.76 0.10 -0.75 0.00 -1.79 0.70 119.26 120.72 3hug h ALA 69 Ca 0.35 0.01 -0.23 0.00 0.00 0.00 0.00 54.91 55.05 3hug h ALA 69 Cb 0.37 -0.15 0.02 0.00 0.00 0.00 0.00 17.79 18.03 3hug h ALA 69 CO -0.27 0.02 -0.95 -0.07 0.00 0.00 0.00 179.25 177.98 3hug h LEU 70 N 0.76 0.66 -1.53 0.00 3.38 -0.99 -3.18 115.31 114.41 3hug h LEU 70 Ca 0.44 -0.85 0.10 0.00 0.09 0.00 0.00 57.88 57.66 3hug h LEU 70 Cb 0.61 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.11 3hug h LEU 70 CO -0.20 1.45 0.45 -0.07 0.09 0.00 0.00 178.44 180.16 3hug h LEU 71 N -0.04 0.47 0.00 1.67 4.07 -0.06 -2.07 115.31 119.35 3hug h LEU 71 Ca -0.15 0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.82 3hug h LEU 71 Cb 1.68 -0.09 0.00 0.00 1.08 0.00 0.00 40.66 43.34 3hug h LEU 71 CO 0.18 0.28 0.00 -1.54 -1.08 0.00 0.00 178.44 176.28 3hug n SER 72 N -4.48 0.00 0.12 -0.43 3.41 0.19 -2.61 113.62 109.82 3hug n SER 72 Ca 0.11 0.15 0.12 0.00 -0.26 0.00 0.00 58.87 59.00 3hug n SER 72 Cb 0.37 -0.33 0.46 0.00 -0.26 0.00 0.00 64.21 64.45 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 -1.33 0.22 -4.19 4.33 6.02 -0.78 -4.75 117.38 116.90 3hug n GLN 73 Ca 0.07 0.33 -0.29 0.00 -0.01 0.00 0.00 57.00 57.10 3hug n GLN 73 Cb 0.13 -1.84 -0.09 0.00 1.02 0.00 0.00 30.24 29.46 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 -4.50 3.24 0.36 1.08 1.43 -1.07 -5.14 118.68 114.08 3hug s LEU 74 Ca 0.07 -0.34 -0.01 0.00 -1.03 0.00 0.00 54.13 52.81 3hug s LEU 74 Cb 0.11 -1.97 -0.04 0.00 0.03 0.00 0.00 46.19 44.32 3hug s LEU 74 CO 0.48 0.14 0.59 -1.81 0.23 0.00 0.00 176.35 175.98 3hug s ASP 75 N -2.51 6.31 0.54 2.29 1.01 -1.26 -4.99 116.67 118.07 3hug s ASP 75 Ca 0.25 0.57 0.21 0.00 0.71 0.00 0.00 52.55 54.29 3hug s ASP 75 Cb -0.11 -2.09 1.46 0.00 1.01 0.00 0.00 42.92 43.20 3hug s ASP 75 CO 0.17 -0.33 2.18 0.08 0.21 0.00 0.00 175.17 177.48 3hug h ARG 76 N 0.82 0.00 -0.15 8.23 0.11 -1.99 -1.97 114.38 119.43 3hug h ARG 76 Ca -0.49 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 59.57 3hug h ARG 76 Cb 1.21 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.29 3hug h ARG 76 CO 0.62 0.01 -0.01 -0.44 0.10 0.00 0.00 179.97 180.26 3hug h ASP 77 N 0.00 0.26 -0.45 0.08 5.19 -1.99 0.12 116.42 119.63 3hug h ASP 77 Ca -0.00 -0.32 0.07 0.00 -0.62 0.00 0.00 57.03 56.15 3hug h ASP 77 Cb 0.03 -0.07 -0.06 0.00 0.18 0.00 0.00 39.33 39.41 3hug h ASP 77 CO 0.00 0.52 0.12 -0.33 -3.12 0.00 0.00 179.24 176.43 3hug h GLU 78 N -0.00 0.26 -0.56 3.56 5.08 -1.77 -1.02 114.58 120.13 3hug h GLU 78 Ca 0.04 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.38 3hug h GLU 78 Cb 0.39 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.56 3hug h GLU 78 CO 0.01 0.17 0.34 0.28 -1.00 0.00 0.00 179.01 178.81 3hug h VAL 79 N 0.27 1.16 -0.87 3.13 2.07 -1.19 -1.85 116.25 118.97 3hug h VAL 79 Ca 0.22 -0.36 0.02 0.00 0.82 0.00 0.00 66.70 67.39 3hug h VAL 79 Cb 0.26 0.41 -0.04 0.00 -1.52 0.00 0.00 31.29 30.39 3hug h VAL 79 CO -0.26 0.17 0.57 0.00 0.02 0.00 0.00 177.57 178.07 3hug h ALA 80 N 1.17 1.41 -0.38 1.67 0.00 0.02 -1.58 119.26 121.56 3hug h ALA 80 Ca 0.20 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 3hug h ALA 80 Cb -0.02 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.41 3hug h ALA 80 CO -0.04 0.54 0.03 0.00 0.00 0.00 0.00 179.25 179.78 3hug h ALA 81 N 1.47 1.35 -0.76 0.00 0.00 -0.43 -1.15 119.26 119.74 3hug h ALA 81 Ca 0.33 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 3hug h ALA 81 Cb -0.09 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 3hug h ALA 81 CO -0.08 0.45 0.29 0.82 0.00 0.00 0.00 179.25 180.73 3hug h ILE 82 N 0.56 1.26 0.53 0.00 2.04 -0.63 -2.31 117.51 118.95 3hug h ILE 82 Ca 0.12 -0.83 -0.03 0.00 1.00 0.00 0.00 64.86 65.13 3hug h ILE 82 Cb 0.32 0.37 0.01 0.00 -0.74 0.00 0.00 36.82 36.77 3hug h ILE 82 CO 0.01 0.33 -0.25 0.28 0.00 0.00 0.00 178.15 178.52 3hug h SER 83 N 1.11 -0.60 -0.94 1.72 0.02 -0.93 -3.09 113.55 110.82 3hug h SER 83 Ca 0.25 -0.04 0.26 0.00 -0.84 0.00 0.00 61.79 61.42 3hug h SER 83 Cb 0.23 0.16 -0.05 0.00 0.14 0.00 0.00 62.40 62.88 3hug h SER 83 CO -0.02 -0.21 0.66 -0.33 -1.14 0.00 0.00 176.83 175.79 3hug h GLU 84 N -1.10 0.13 -0.14 3.45 5.08 -1.26 -1.44 114.58 119.30 3hug h GLU 84 Ca -0.07 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 3hug h GLU 84 Cb 0.60 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.82 3hug h GLU 84 CO 0.12 0.09 0.00 0.45 -1.00 0.00 0.00 179.01 178.67 3hug n SER 85 N -4.36 1.52 0.00 1.42 2.88 -0.87 -5.11 113.62 109.10 3hug n SER 85 Ca 0.20 -1.66 0.09 0.00 -1.33 0.00 0.00 58.87 56.17 3hug n SER 85 Cb 0.92 -0.09 0.54 0.00 -0.75 0.00 0.00 64.21 64.83 3hug n SER 85 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81