#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 3.73 -0.14 1.24 2.46 -1.26 -4.91 115.29 116.41 3hug s HIS 25 Ca 0.00 -2.94 0.14 0.00 0.47 0.00 0.00 55.06 52.74 3hug s HIS 25 Cb 0.00 -2.87 -0.24 0.00 -0.13 0.00 0.00 32.58 29.34 3hug s HIS 25 CO 0.00 -0.95 0.30 -2.39 -2.47 0.00 0.00 174.74 169.23 3hug n HIS 26 N 4.28 0.44 0.05 3.88 1.44 -1.26 -3.75 115.22 120.29 3hug n HIS 26 Ca 0.02 0.15 0.21 0.00 -2.01 0.00 0.00 57.72 56.09 3hug n HIS 26 Cb 0.42 -1.08 0.73 0.00 0.12 0.00 0.00 29.99 30.19 3hug n HIS 26 CO 0.00 0.00 0.00 1.88 -2.81 0.00 0.00 176.34 175.41 3hug h TYR 27 N 0.00 0.00 -0.10 -1.40 0.99 -2.02 -1.33 116.97 113.10 3hug h TYR 27 Ca -0.44 0.00 0.03 0.00 2.00 0.00 0.00 58.73 60.32 3hug h TYR 27 Cb 2.13 0.00 -0.00 0.00 1.00 0.00 0.00 36.73 39.86 3hug h TYR 27 CO 0.00 0.00 0.19 0.00 -0.00 0.00 0.00 178.16 178.36 3hug h ALA 28 N 1.62 1.51 0.00 3.88 0.00 -1.99 0.28 119.26 124.56 3hug h ALA 28 Ca 0.22 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3hug h ALA 28 Cb 1.05 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.84 3hug h ALA 28 CO -0.00 -0.24 -0.14 -1.33 0.00 0.00 0.00 179.25 177.54 3hug n MET 29 N -3.42 0.10 0.01 0.00 2.81 -0.50 -4.07 117.12 112.06 3hug n MET 29 Ca -0.00 0.07 0.13 0.00 -1.81 0.00 0.00 57.70 56.09 3hug n MET 29 Cb 0.29 -1.60 0.49 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 -1.78 0.12 -0.27 2.03 7.02 0.99 -4.32 117.44 121.23 3hug n TRP 30 Ca 0.06 0.03 0.04 0.00 -1.02 0.00 0.00 57.50 56.61 3hug n TRP 30 Cb 0.37 -0.49 0.18 0.00 -2.42 0.00 0.00 31.31 28.95 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 0.53 0.11 -0.99 2.03 -1.71 -1.52 116.42 114.87 3hug h ASP 31 Ca 0.00 0.07 -0.25 0.00 -0.73 0.00 0.00 57.03 56.12 3hug h ASP 31 Cb 0.54 -0.02 0.03 0.00 -0.83 0.00 0.00 39.33 39.04 3hug h ASP 31 CO 0.00 0.28 -1.05 0.00 -1.03 0.00 0.00 179.24 177.43 3hug h ALA 32 N 1.48 -0.02 -0.97 4.15 0.00 -1.91 -2.26 119.26 119.73 3hug h ALA 32 Ca 0.40 -0.72 0.11 0.00 0.00 0.00 0.00 54.91 54.70 3hug h ALA 32 Cb 0.47 0.10 -0.08 0.00 0.00 0.00 0.00 17.79 18.28 3hug h ALA 32 CO -0.30 0.56 0.60 0.00 0.00 0.00 0.00 179.25 180.11 3hug h ALA 33 N 0.24 1.43 -0.02 0.00 0.00 -1.77 -0.97 119.26 118.17 3hug h ALA 33 Ca -0.16 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 3hug h ALA 33 Cb 1.76 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 19.35 3hug h ALA 33 CO 0.20 0.23 -0.01 -0.92 0.00 0.00 0.00 179.25 178.76 3hug h TYR 34 N 0.98 0.06 0.00 0.00 3.20 -1.12 0.87 116.97 120.95 3hug h TYR 34 Ca 0.47 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.30 3hug h TYR 34 Cb 0.42 -0.01 -0.00 0.00 1.54 0.00 0.00 36.73 38.67 3hug h TYR 34 CO -0.02 0.42 -0.14 0.28 -1.64 0.00 0.00 178.16 177.07 3hug h VAL 35 N -0.33 0.44 -0.02 1.81 2.07 -1.22 -2.13 116.25 116.88 3hug h VAL 35 Ca 0.01 -0.72 0.00 0.00 0.82 0.00 0.00 66.70 66.81 3hug h VAL 35 Cb 0.41 1.51 0.00 0.00 -1.52 0.00 0.00 31.29 31.68 3hug h VAL 35 CO 0.00 0.13 -0.05 0.18 0.02 0.00 0.00 177.57 177.85 3hug n LEU 36 N -3.43 1.64 -0.69 2.57 4.77 -0.39 -4.84 117.00 116.64 3hug n LEU 36 Ca -0.01 -0.54 -0.07 0.00 -0.03 0.00 0.00 56.01 55.37 3hug n LEU 36 Cb 0.31 -0.02 -0.02 0.00 -2.33 0.00 0.00 43.42 41.37 3hug n LEU 36 CO 0.30 0.28 -0.08 0.61 -1.33 0.00 0.00 177.39 177.17 3hug n GLY 37 N 1.23 0.45 0.84 -0.72 0.00 -0.80 -4.94 105.19 101.24 3hug n GLY 37 Ca 0.17 -0.65 0.11 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.26 2.65 -1.77 4.61 0.00 0.24 -4.94 120.51 121.04 3hug n ALA 38 Ca -0.08 -0.67 -0.38 0.00 0.00 0.00 0.00 53.44 52.31 3hug n ALA 38 Cb 0.42 -0.77 -0.05 0.00 0.00 0.00 0.00 19.45 19.05 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 -2.00 4.34 0.95 0.00 1.02 -1.24 -5.00 118.68 116.75 3hug s LEU 39 Ca 0.25 2.05 -0.10 0.00 0.02 0.00 0.00 54.13 56.35 3hug s LEU 39 Cb 0.19 -3.95 0.16 0.00 0.02 0.00 0.00 46.19 42.61 3hug s LEU 39 CO 0.33 -0.25 1.13 -0.94 0.02 0.00 0.00 176.35 176.64 3hug s SER 40 N -1.36 2.67 0.25 2.29 1.04 -1.26 -4.65 113.70 112.67 3hug s SER 40 Ca 0.51 2.07 -0.07 0.00 0.48 0.00 0.00 55.95 58.94 3hug s SER 40 Cb -0.24 -2.53 0.43 0.00 0.10 0.00 0.00 66.02 63.78 3hug s SER 40 CO 0.31 -3.24 1.63 0.00 0.98 0.00 0.00 173.24 172.91 3hug h ALA 41 N -1.97 0.76 -0.14 5.32 0.00 -1.99 0.67 119.26 121.91 3hug h ALA 41 Ca -0.46 0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 3hug h ALA 41 Cb 1.28 0.44 -0.00 0.00 0.00 0.00 0.00 17.79 19.51 3hug h ALA 41 CO 0.43 -0.43 -0.03 0.00 0.00 0.00 0.00 179.25 179.23 3hug h ALA 42 N 1.72 0.19 -0.45 0.00 0.00 -2.00 -2.49 119.26 116.24 3hug h ALA 42 Ca 0.41 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 55.10 3hug h ALA 42 Cb 0.72 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 3hug h ALA 42 CO -0.69 -0.07 0.28 -0.44 0.00 0.00 0.00 179.25 178.34 3hug h ASP 43 N -0.04 0.48 -0.64 0.00 3.32 -1.82 0.24 116.42 117.95 3hug h ASP 43 Ca 0.04 -0.01 0.05 0.00 0.02 0.00 0.00 57.03 57.13 3hug h ASP 43 Cb 0.45 -0.11 -0.05 0.00 0.22 0.00 0.00 39.33 39.83 3hug h ASP 43 CO 0.01 0.35 0.36 -0.09 -1.72 0.00 0.00 179.24 178.15 3hug h ARG 44 N 0.58 0.65 0.07 3.56 2.43 -0.89 0.26 114.38 121.05 3hug h ARG 44 Ca 0.17 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.30 3hug h ARG 44 Cb -0.04 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.37 3hug h ARG 44 CO -0.05 0.43 -0.04 -0.09 -1.51 0.00 0.00 179.97 178.71 3hug h ARG 45 N 0.67 -0.10 -0.74 0.20 2.43 -0.95 -0.02 114.38 115.87 3hug h ARG 45 Ca 0.28 0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.50 3hug h ARG 45 Cb 0.16 0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 29.68 3hug h ARG 45 CO -0.17 0.01 0.46 1.49 -1.51 0.00 0.00 179.97 180.25 3hug h GLU 46 N -0.19 0.86 -0.42 0.20 4.81 -0.46 -1.58 114.58 117.80 3hug h GLU 46 Ca -0.01 -0.05 -0.11 0.00 -0.13 0.00 0.00 59.36 59.06 3hug h GLU 46 Cb 0.15 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.33 3hug h GLU 46 CO 0.02 0.57 -0.18 0.35 -0.73 0.00 0.00 179.01 179.03 3hug h PHE 47 N 0.88 0.91 -0.22 0.92 3.57 -0.21 -2.22 116.94 120.57 3hug h PHE 47 Ca 0.31 -0.20 -0.05 0.00 3.53 0.00 0.00 57.97 61.56 3hug h PHE 47 Cb 0.06 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.56 3hug h PHE 47 CO -0.04 0.93 -0.09 0.93 -2.23 0.00 0.00 178.31 177.80 3hug h GLU 48 N 0.72 0.35 -0.14 1.11 5.08 -0.39 0.13 114.58 121.44 3hug h GLU 48 Ca 0.11 -0.08 -0.02 0.00 -1.00 0.00 0.00 59.36 58.37 3hug h GLU 48 Cb 0.69 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 3hug h GLU 48 CO 0.05 0.46 0.01 0.00 -1.00 0.00 0.00 179.01 178.53 3hug h ALA 49 N 1.58 0.18 -0.90 3.43 0.00 -0.97 -2.34 119.26 120.25 3hug h ALA 49 Ca 0.07 -0.18 0.07 0.00 0.00 0.00 0.00 54.91 54.87 3hug h ALA 49 Cb 0.38 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.05 3hug h ALA 49 CO 0.02 -0.14 0.56 1.25 0.00 0.00 0.00 179.25 180.95 3hug h HIS 50 N -0.01 1.04 -0.68 0.00 -0.00 -0.88 -2.43 115.15 112.20 3hug h HIS 50 Ca 0.04 0.03 -0.02 0.00 -0.00 0.00 0.00 60.37 60.42 3hug h HIS 50 Cb 0.34 -0.34 -0.03 0.00 -0.00 0.00 0.00 27.41 27.38 3hug h HIS 50 CO 0.03 0.52 0.34 -0.07 -0.00 0.00 0.00 177.93 178.75 3hug h LEU 51 N 1.02 0.85 -1.81 0.26 3.38 -0.50 -1.63 115.31 116.88 3hug h LEU 51 Ca 0.40 -0.08 0.07 0.00 0.09 0.00 0.00 57.88 58.35 3hug h LEU 51 Cb 0.19 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 3hug h LEU 51 CO -0.18 0.71 0.27 0.00 0.09 0.00 0.00 178.44 179.33 3hug h ALA 52 N 1.42 2.07 -0.18 1.53 0.00 -0.91 -2.89 119.26 120.31 3hug h ALA 52 Ca 0.24 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.10 3hug h ALA 52 Cb 0.07 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3hug h ALA 52 CO -0.03 -0.16 -0.05 0.41 0.00 0.00 0.00 179.25 179.42 3hug n GLY 53 N -1.54 4.53 2.52 0.00 0.00 -0.69 -4.96 105.19 105.04 3hug n GLY 53 Ca 0.05 -1.12 -0.28 0.00 0.00 0.00 0.00 46.02 44.67 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 7.52 0.00 -0.07 0.00 0.13 -1.90 -1.43 132.00 136.25 3hug h PRO 55 Ca -0.03 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.06 3hug h PRO 55 Cb 0.99 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.12 3hug h PRO 55 CO 0.32 0.04 -0.09 1.05 -0.23 0.00 0.00 178.00 179.08 3hug h GLU 56 N 0.00 0.18 -0.63 0.86 9.09 -1.96 -1.71 114.58 120.40 3hug h GLU 56 Ca -0.00 -0.11 -0.08 0.00 0.05 0.00 0.00 59.36 59.22 3hug h GLU 56 Cb 0.16 0.01 -0.02 0.00 -1.65 0.00 0.00 28.75 27.24 3hug h GLU 56 CO 0.01 0.66 0.08 0.00 0.05 0.00 0.00 179.01 179.80 3hug h ARG 58 N 0.98 0.28 -0.28 0.00 3.08 -1.31 0.36 114.38 117.49 3hug h ARG 58 Ca 0.19 -0.02 -0.06 0.00 0.07 0.00 0.00 59.98 60.17 3hug h ARG 58 Cb 0.46 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.43 3hug h ARG 58 CO 0.02 0.19 -0.07 0.78 -1.07 0.00 0.00 179.97 179.82 3hug h GLY 59 N 0.29 0.48 0.86 0.04 0.00 -0.81 -0.79 103.07 103.14 3hug h GLY 59 Ca 0.22 -0.30 -0.01 0.00 0.00 0.00 0.00 47.33 47.25 3hug h GLY 59 CO -0.25 0.28 -0.06 0.00 0.00 0.00 0.00 176.54 176.50 3hug h ALA 60 N 1.51 -0.17 -0.70 3.60 0.00 0.27 -1.10 119.26 122.67 3hug h ALA 60 Ca 0.09 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3hug h ALA 60 Cb 0.39 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 3hug h ALA 60 CO 0.02 -0.53 0.45 -0.39 0.00 0.00 0.00 179.25 178.80 3hug h VAL 61 N -0.31 1.19 -0.65 0.00 -1.51 -0.70 -2.28 116.25 111.98 3hug h VAL 61 Ca -0.02 -0.36 0.04 0.00 -1.23 0.00 0.00 66.70 65.13 3hug h VAL 61 Cb 0.25 0.17 -0.05 0.00 -2.13 0.00 0.00 31.29 29.53 3hug h VAL 61 CO 0.03 0.18 0.38 0.74 -1.23 0.00 0.00 177.57 177.67 3hug h THR 62 N 0.95 1.03 -0.47 7.19 2.02 -0.88 -0.38 112.91 122.36 3hug h THR 62 Ca 0.26 -0.25 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 3hug h THR 62 Cb -0.09 0.24 -0.02 0.00 -1.74 0.00 0.00 68.15 66.53 3hug h THR 62 CO -0.05 0.13 0.23 -0.33 0.37 0.00 0.00 175.52 175.87 3hug h GLU 63 N 0.73 0.65 0.00 6.66 5.08 -0.66 -3.20 114.58 123.84 3hug h GLU 63 Ca 0.27 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 3hug h GLU 63 Cb 0.10 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.22 3hug h GLU 63 CO -0.14 0.50 -0.76 1.28 -1.00 0.00 0.00 179.01 178.90 3hug n LEU 64 N -4.40 0.62 -0.09 1.33 4.77 -0.57 -4.47 117.00 114.19 3hug n LEU 64 Ca 0.04 0.02 -0.01 0.00 -0.03 0.00 0.00 56.01 56.03 3hug n LEU 64 Cb 0.12 -0.16 0.25 0.00 -2.33 0.00 0.00 43.42 41.30 3hug n LEU 64 CO 0.37 0.06 1.02 0.00 -1.33 0.00 0.00 177.39 177.51 3hug n GLY 66 N -1.01 -0.47 0.08 0.00 0.00 -1.26 -3.82 105.19 98.70 3hug n GLY 66 Ca 0.04 -0.01 -0.14 0.00 0.00 0.00 0.00 46.02 45.91 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 1.33 -0.80 1.61 2.07 -1.47 -2.96 116.25 116.03 3hug h VAL 67 Ca 0.00 -2.10 0.16 0.00 0.82 0.00 0.00 66.70 65.57 3hug h VAL 67 Cb 0.03 2.62 -0.05 0.00 -1.52 0.00 0.00 31.29 32.36 3hug h VAL 67 CO 0.00 0.45 0.53 -0.65 0.02 0.00 0.00 177.57 177.92 3hug h PRO 68 N -1.00 0.43 -0.91 1.57 0.11 -1.74 0.18 132.00 130.64 3hug h PRO 68 Ca -0.07 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 66.02 3hug h PRO 68 Cb 0.93 -0.10 -0.05 0.00 0.11 0.00 0.00 31.00 31.90 3hug h PRO 68 CO -0.05 0.29 0.60 0.00 -0.21 0.00 0.00 178.00 178.63 3hug h ALA 69 N 1.63 1.35 0.10 -0.75 0.00 -1.70 -0.43 119.26 119.46 3hug h ALA 69 Ca 0.40 -0.06 -0.27 0.00 0.00 0.00 0.00 54.91 54.97 3hug h ALA 69 Cb 0.89 -0.37 0.01 0.00 0.00 0.00 0.00 17.79 18.32 3hug h ALA 69 CO -0.14 0.60 -1.17 -0.07 0.00 0.00 0.00 179.25 178.47 3hug h LEU 70 N 1.23 0.61 -2.06 0.00 3.38 -0.76 -3.24 115.31 114.47 3hug h LEU 70 Ca 0.33 -0.58 -0.01 0.00 0.09 0.00 0.00 57.88 57.72 3hug h LEU 70 Cb -0.14 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.41 3hug h LEU 70 CO -0.07 1.41 -0.05 -0.07 0.09 0.00 0.00 178.44 179.75 3hug h LEU 71 N 0.18 0.00 0.00 1.67 4.07 -0.30 -1.91 115.31 119.02 3hug h LEU 71 Ca -0.14 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.82 3hug h LEU 71 Cb 1.86 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.60 3hug h LEU 71 CO 0.21 0.05 0.00 -1.54 -1.08 0.00 0.00 178.44 176.07 3hug n SER 72 N -3.28 0.00 0.00 -0.43 3.41 -0.21 -3.29 113.62 109.82 3hug n SER 72 Ca -0.01 -0.27 0.11 0.00 -0.26 0.00 0.00 58.87 58.43 3hug n SER 72 Cb 0.22 -0.22 0.64 0.00 -0.26 0.00 0.00 64.21 64.58 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 -1.22 0.70 -4.07 4.33 1.13 -0.72 -4.78 117.38 112.75 3hug n GLN 73 Ca 0.15 0.00 -0.10 0.00 -1.94 0.00 0.00 57.00 55.11 3hug n GLN 73 Cb 0.19 -1.48 -0.11 0.00 0.11 0.00 0.00 30.24 28.95 3hug n GLN 73 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 3hug s LEU 74 N -1.96 2.36 0.38 1.08 1.43 -1.21 -5.17 118.68 115.60 3hug s LEU 74 Ca 0.32 -0.74 0.04 0.00 -1.03 0.00 0.00 54.13 52.72 3hug s LEU 74 Cb 0.15 0.01 -0.01 0.00 0.03 0.00 0.00 46.19 46.37 3hug s LEU 74 CO 0.25 -0.38 0.55 1.51 0.23 0.00 0.00 176.35 178.51 3hug s ASP 75 N -2.18 5.94 0.44 2.29 -4.77 -1.26 -4.97 116.67 112.16 3hug s ASP 75 Ca -0.03 0.06 0.26 0.00 -3.30 0.00 0.00 52.55 49.54 3hug s ASP 75 Cb -0.02 -1.43 1.42 0.00 -1.09 0.00 0.00 42.92 41.79 3hug s ASP 75 CO -0.03 -0.52 1.78 0.08 0.70 0.00 0.00 175.17 177.17 3hug h ARG 76 N 0.69 0.00 0.15 2.11 0.11 -1.99 -1.92 114.38 113.53 3hug h ARG 76 Ca -0.46 0.00 -0.35 0.00 0.10 0.00 0.00 59.98 59.27 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 0.56 0.00 -1.80 -0.44 0.10 0.00 0.00 179.97 178.39 3hug h ASP 77 N 0.00 0.51 -0.44 0.08 3.45 -1.99 -1.78 116.42 116.25 3hug h ASP 77 Ca 0.00 -0.86 0.04 0.00 0.43 0.00 0.00 57.03 56.64 3hug h ASP 77 Cb 0.21 -0.17 -0.02 0.00 -0.56 0.00 0.00 39.33 38.79 3hug h ASP 77 CO 0.00 1.74 0.29 -0.33 -1.57 0.00 0.00 179.24 179.37 3hug h GLU 78 N 0.09 0.42 0.08 3.56 5.08 -1.75 -2.10 114.58 119.96 3hug h GLU 78 Ca -0.35 -0.03 -0.28 0.00 -1.00 0.00 0.00 59.36 57.70 3hug h GLU 78 Cb 2.07 -0.09 0.02 0.00 0.50 0.00 0.00 28.75 31.25 3hug h GLU 78 CO 0.15 0.28 -1.16 0.28 -1.00 0.00 0.00 179.01 177.56 3hug h VAL 79 N 0.43 1.33 -0.75 3.13 2.07 -1.51 -3.09 116.25 117.86 3hug h VAL 79 Ca 0.18 -2.48 -0.02 0.00 0.82 0.00 0.00 66.70 65.20 3hug h VAL 79 Cb 0.18 2.61 -0.04 0.00 -1.52 0.00 0.00 31.29 32.53 3hug h VAL 79 CO -0.04 0.75 0.38 0.00 0.02 0.00 0.00 177.57 178.68 3hug h ALA 80 N 0.43 1.26 -0.84 1.67 0.00 -1.04 -2.47 119.26 118.28 3hug h ALA 80 Ca -0.15 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.63 3hug h ALA 80 Cb 1.82 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 19.27 3hug h ALA 80 CO 0.22 0.58 0.55 0.00 0.00 0.00 0.00 179.25 180.60 3hug h ALA 81 N 1.37 1.06 -0.70 0.00 0.00 -1.41 -2.63 119.26 116.95 3hug h ALA 81 Ca 0.26 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 55.03 3hug h ALA 81 Cb 0.07 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 3hug h ALA 81 CO -0.04 0.47 0.14 0.82 0.00 0.00 0.00 179.25 180.65 3hug h ILE 82 N 1.13 1.26 0.00 0.00 2.04 -1.40 -2.91 117.51 117.65 3hug h ILE 82 Ca 0.31 -1.02 -0.68 0.00 1.00 0.00 0.00 64.86 64.47 3hug h ILE 82 Cb -0.12 0.57 -0.00 0.00 -0.74 0.00 0.00 36.82 36.53 3hug h ILE 82 CO -0.07 0.39 2.85 -1.20 0.00 0.00 0.00 178.15 180.12 3hug n SER 83 N -4.22 3.64 0.00 1.72 7.64 -0.96 -5.13 113.62 116.31 3hug n SER 83 Ca 0.05 -2.75 0.00 0.00 1.01 0.00 0.00 58.87 57.18 3hug n SER 83 Cb 0.28 -1.44 0.00 0.00 -1.01 0.00 0.00 64.21 62.04 3hug n SER 83 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41