#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g80 h ALA 7 N 4.24 1.00 -0.59 0.00 0.00 -1.92 -3.18 119.26 118.79 3g80 h ALA 7 Ca -0.31 -0.44 0.01 0.00 0.00 0.00 0.00 54.91 54.18 3g80 h ALA 7 Cb 1.19 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.87 3g80 h ALA 7 CO 0.41 0.60 0.39 -0.92 0.00 0.00 0.00 179.25 179.72 3g80 h TYR 8 N 0.00 0.73 0.00 0.00 3.20 -1.87 -2.40 116.97 116.63 3g80 h TYR 8 Ca -0.00 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.81 3g80 h TYR 8 Cb 0.98 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.99 3g80 h TYR 8 CO 0.00 0.45 -0.34 1.49 -1.64 0.00 0.00 178.16 178.12 3g80 h GLU 9 N 0.78 0.00 0.11 1.82 4.57 -1.89 -1.82 114.58 118.16 3g80 h GLU 9 Ca 0.22 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.40 3g80 h GLU 9 Cb -0.07 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.53 3g80 h GLU 9 CO -0.06 0.34 -0.05 1.25 -1.18 0.00 0.00 179.01 179.31 3g80 h LEU 10 N 0.00 -0.13 -0.57 1.64 6.46 -1.47 -2.54 115.31 118.70 3g80 h LEU 10 Ca -0.00 -0.37 -0.05 0.00 -0.12 0.00 0.00 57.88 57.33 3g80 h LEU 10 Cb 1.08 0.03 -0.02 0.00 -0.73 0.00 0.00 40.66 41.02 3g80 h LEU 10 CO 0.04 0.33 0.15 0.40 -0.62 0.00 0.00 178.44 178.75 3g80 h ILE 11 N -0.62 1.25 0.00 4.05 2.04 -1.48 -2.76 117.51 119.99 3g80 h ILE 11 Ca -0.02 -0.87 -0.04 0.00 1.00 0.00 0.00 64.86 64.93 3g80 h ILE 11 Cb 0.49 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 37.28 3g80 h ILE 11 CO 0.02 0.32 -0.19 0.50 0.00 0.00 0.00 178.15 178.81 3g80 h LYS 12 N 0.82 0.00 -0.01 2.37 3.64 -1.39 -2.20 116.57 119.80 3g80 h LYS 12 Ca 0.18 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.56 3g80 h LYS 12 Cb 0.33 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.15 3g80 h LYS 12 CO 0.00 0.19 -0.20 -1.13 -2.27 0.00 0.00 179.45 176.04 3g80 n SER 13 N -3.75 1.03 -0.26 4.20 3.41 -0.96 -4.24 113.62 113.05 3g80 n SER 13 Ca -0.02 -0.94 -0.06 0.00 -0.26 0.00 0.00 58.87 57.59 3g80 n SER 13 Cb 0.30 0.09 0.05 0.00 -0.26 0.00 0.00 64.21 64.39 3g80 n SER 13 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3g80 h LEU 14 N 1.30 0.96 -0.39 1.04 3.38 -1.17 -2.83 115.31 117.61 3g80 h LEU 14 Ca 0.00 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 3g80 h LEU 14 Cb 0.49 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 3g80 h LEU 14 CO 0.00 0.84 0.17 -0.65 0.09 0.00 0.00 178.44 178.89 3g80 h PRO 15 N 1.02 0.57 -0.37 1.13 0.11 -1.76 -2.33 132.00 130.36 3g80 h PRO 15 Ca 0.25 -0.09 -0.02 0.00 0.11 0.00 0.00 66.00 66.24 3g80 h PRO 15 Cb 0.15 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 31.15 3g80 h PRO 15 CO -0.03 0.52 0.13 0.00 -0.21 0.00 0.00 178.00 178.42 3g80 h ALA 16 N 1.02 1.53 -0.45 -0.75 0.00 -1.82 -0.12 119.26 118.67 3g80 h ALA 16 Ca 0.13 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 3g80 h ALA 16 Cb 0.16 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3g80 h ALA 16 CO -0.01 0.36 -0.09 0.87 0.00 0.00 0.00 179.25 180.37 3g80 h LYS 17 N 0.53 0.80 -0.02 0.00 1.57 -1.22 -0.06 116.57 118.17 3g80 h LYS 17 Ca 0.13 -0.26 -0.16 0.00 -1.87 0.00 0.00 60.65 58.49 3g80 h LYS 17 Cb 0.14 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.36 3g80 h LYS 17 CO -0.01 0.87 -0.72 -0.07 -0.57 0.00 0.00 179.45 178.94 3g80 h LEU 18 N 0.73 0.14 -0.50 2.94 3.38 -0.85 -2.61 115.31 118.54 3g80 h LEU 18 Ca 0.13 -0.10 -0.14 0.00 0.09 0.00 0.00 57.88 57.86 3g80 h LEU 18 Cb 0.57 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 3g80 h LEU 18 CO 0.04 0.81 -0.25 -0.08 0.09 0.00 0.00 178.44 179.05 3g80 h GLU 19 N 0.08 0.96 0.04 1.13 4.81 -0.62 -2.04 114.58 118.94 3g80 h GLU 19 Ca -0.02 -0.43 -0.00 0.00 -0.13 0.00 0.00 59.36 58.78 3g80 h GLU 19 Cb 1.27 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.63 3g80 h GLU 19 CO 0.10 1.09 -0.02 0.37 -0.73 0.00 0.00 179.01 179.83 3g80 h GLN 20 N 0.82 -0.05 -0.27 1.92 4.15 -0.89 -1.85 115.11 118.93 3g80 h GLN 20 Ca 0.10 0.00 0.05 0.00 0.77 0.00 0.00 58.65 59.58 3g80 h GLN 20 Cb 0.83 0.01 -0.05 0.00 0.21 0.00 0.00 27.48 28.48 3g80 h GLN 20 CO 0.07 -0.03 -0.05 -0.07 -1.93 0.00 0.00 178.83 176.83 3g80 h LEU 21 N -0.06 -0.21 -0.99 -2.39 3.38 -1.36 -0.48 115.31 113.21 3g80 h LEU 21 Ca -0.01 0.08 0.11 0.00 0.09 0.00 0.00 57.88 58.15 3g80 h LEU 21 Cb 0.05 0.15 -0.08 0.00 0.09 0.00 0.00 40.66 40.87 3g80 h LEU 21 CO 0.01 -0.07 0.62 0.00 0.09 0.00 0.00 178.44 179.09 3g80 h ALA 22 N 1.26 1.47 -0.04 1.53 0.00 -1.10 -1.93 119.26 120.46 3g80 h ALA 22 Ca 0.13 0.02 -0.22 0.00 0.00 0.00 0.00 54.91 54.84 3g80 h ALA 22 Cb 0.19 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3g80 h ALA 22 CO -0.26 0.23 -0.88 1.96 0.00 0.00 0.00 179.25 180.30 3g80 h GLN 23 N 0.99 0.49 0.18 0.00 4.20 -0.63 -1.86 115.11 118.47 3g80 h GLN 23 Ca 0.48 -0.47 0.00 0.00 0.06 0.00 0.00 58.65 58.72 3g80 h GLN 23 Cb 0.45 0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.35 3g80 h GLN 23 CO -0.26 1.11 -0.15 0.93 -0.67 0.00 0.00 178.83 179.79 3g80 h GLU 24 N 0.30 -0.33 -0.20 1.46 5.08 -0.51 0.20 114.58 120.58 3g80 h GLU 24 Ca -0.07 0.02 -0.15 0.00 -1.00 0.00 0.00 59.36 58.16 3g80 h GLU 24 Cb 1.50 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.82 3g80 h GLU 24 CO 0.16 -0.22 -0.51 0.00 -1.00 0.00 0.00 179.01 177.44 3g80 h THR 25 N -0.34 1.32 -0.10 1.13 1.03 -1.45 -1.04 112.91 113.46 3g80 h THR 25 Ca -0.00 -1.74 -0.01 0.00 -0.01 0.00 0.00 66.41 64.64 3g80 h THR 25 Cb 0.32 1.72 -0.00 0.00 -1.07 0.00 0.00 68.15 69.11 3g80 h THR 25 CO -0.02 0.54 0.01 1.56 -0.01 0.00 0.00 175.52 177.59 3g80 h GLN 26 N 0.43 0.17 -0.65 0.00 4.20 -1.20 0.19 115.11 118.24 3g80 h GLN 26 Ca 0.02 -0.05 0.03 0.00 0.06 0.00 0.00 58.65 58.70 3g80 h GLN 26 Cb 1.04 -0.02 -0.04 0.00 0.30 0.00 0.00 27.48 28.76 3g80 h GLN 26 CO 0.10 0.40 0.41 0.00 -0.67 0.00 0.00 178.83 179.06 3g80 h ALA 27 N 0.76 0.84 -0.35 3.87 0.00 -0.55 -1.13 119.26 122.70 3g80 h ALA 27 Ca 0.03 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 3g80 h ALA 27 Cb 0.32 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3g80 h ALA 27 CO 0.00 0.17 -0.10 0.00 0.00 0.00 0.00 179.25 179.32 3g80 h THR 28 N 0.80 1.28 -0.08 0.00 1.03 -1.09 -2.30 112.91 112.56 3g80 h THR 28 Ca 0.26 -1.18 0.02 0.00 -0.01 0.00 0.00 66.41 65.50 3g80 h THR 28 Cb 0.00 1.32 -0.00 0.00 -1.07 0.00 0.00 68.15 68.40 3g80 h THR 28 CO -0.10 0.39 0.09 0.40 -0.01 0.00 0.00 175.52 176.29 3g80 h ILE 29 N 0.48 0.52 0.00 0.00 2.04 -0.06 -0.95 117.51 119.54 3g80 h ILE 29 Ca 0.09 0.00 -0.13 0.00 1.00 0.00 0.00 64.86 65.81 3g80 h ILE 29 Cb 0.62 0.93 -0.02 0.00 -0.74 0.00 0.00 36.82 37.61 3g80 h ILE 29 CO 0.04 0.00 -0.63 1.56 0.00 0.00 0.00 178.15 179.12 3g80 h GLN 30 N 0.00 0.00 -0.54 2.37 4.20 -0.64 -3.08 115.11 117.42 3g80 h GLN 30 Ca 0.04 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.75 3g80 h GLN 30 Cb 0.21 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.99 3g80 h GLN 30 CO -0.00 0.63 0.00 0.25 -0.67 0.00 0.00 178.83 179.04 3g80 n THR 31 N -3.60 0.00 -3.96 -0.54 -2.24 -0.36 -4.79 114.28 98.78 3g80 n THR 31 Ca -0.00 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.46 3g80 n THR 31 Cb 0.66 -0.30 -0.05 0.00 -2.10 0.00 0.00 70.33 68.54 3g80 n THR 31 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3g80 s LEU 32 N -0.33 4.20 -0.78 3.22 1.43 -1.17 -5.05 118.68 120.21 3g80 s LEU 32 Ca 0.00 0.22 -0.01 0.00 -1.03 0.00 0.00 54.13 53.32 3g80 s LEU 32 Cb 0.00 -2.67 0.19 0.00 0.03 0.00 0.00 46.19 43.74 3g80 s LEU 32 CO 0.00 0.21 0.62 -0.04 0.23 0.00 0.00 176.35 177.37 3g80 s MET 33 N -2.21 2.90 -0.23 1.70 -1.94 -1.26 -5.05 119.30 113.21 3g80 s MET 33 Ca 0.30 -3.07 -0.09 0.00 -1.71 0.00 0.00 55.69 51.12 3g80 s MET 33 Cb -0.13 -3.78 -0.04 0.00 2.01 0.00 0.00 34.83 32.89 3g80 s MET 33 CO 0.22 -1.24 0.12 0.42 -0.01 0.00 0.00 175.02 174.53 3g80 s ILE 34 N -1.00 4.98 -0.04 2.53 1.01 -1.26 -4.99 121.20 122.43 3g80 s ILE 34 Ca 0.24 0.04 -0.01 0.00 0.00 0.00 0.00 60.65 60.92 3g80 s ILE 34 Cb -0.11 -3.30 -0.26 0.00 0.01 0.00 0.00 42.46 38.79 3g80 s ILE 34 CO -0.10 0.37 0.67 0.00 0.00 0.00 0.00 174.94 175.87 3g80 h ALA 35 N 7.49 0.42 -2.36 9.38 0.00 -2.03 -3.47 119.26 128.69 3g80 h ALA 35 Ca -0.37 -1.27 -0.53 0.00 0.00 0.00 0.00 54.91 52.74 3g80 h ALA 35 Cb 1.17 0.46 0.02 0.00 0.00 0.00 0.00 17.79 19.44 3g80 h ALA 35 CO 0.64 1.28 1.22 0.34 0.00 0.00 0.00 179.25 182.73 3g80 s ASP 36 N -6.83 6.46 0.31 0.00 -1.08 -1.26 -4.92 116.67 109.34 3g80 s ASP 36 Ca -0.12 2.66 -0.00 0.00 -0.52 0.00 0.00 52.55 54.56 3g80 s ASP 36 Cb 0.07 -2.53 0.49 0.00 -1.46 0.00 0.00 42.92 39.48 3g80 s ASP 36 CO 0.82 -1.05 1.91 -0.65 0.52 0.00 0.00 175.17 176.73 3g80 h PRO 37 N 10.49 0.87 0.07 4.34 0.11 -1.99 -2.00 132.00 143.89 3g80 h PRO 37 Ca -0.49 -0.11 -0.25 0.00 0.11 0.00 0.00 66.00 65.26 3g80 h PRO 37 Cb 1.23 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3g80 h PRO 37 CO 0.94 0.68 -1.09 -0.91 -0.21 0.00 0.00 178.00 177.40 3g80 h ASN 38 N 0.87 0.44 -0.28 -2.05 2.35 -1.98 -2.03 115.58 112.91 3g80 h ASN 38 Ca 0.22 -0.42 -0.07 0.00 -0.55 0.00 0.00 56.30 55.48 3g80 h ASN 38 Cb 0.09 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.31 3g80 h ASN 38 CO -0.03 1.27 -0.08 0.58 -1.65 0.00 0.00 177.43 177.52 3g80 h VAL 39 N 0.13 1.29 -0.89 2.81 2.07 -1.95 0.56 116.25 120.27 3g80 h VAL 39 Ca -0.10 -1.13 0.04 0.00 0.82 0.00 0.00 66.70 66.33 3g80 h VAL 39 Cb 1.78 1.45 -0.05 0.00 -1.52 0.00 0.00 31.29 32.94 3g80 h VAL 39 CO 0.18 0.36 0.57 0.78 0.02 0.00 0.00 177.57 179.48 3g80 h ASN 40 N 0.30 0.94 -0.53 0.57 2.35 -1.39 -0.29 115.58 117.53 3g80 h ASN 40 Ca 0.07 -0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.70 3g80 h ASN 40 Cb 0.57 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.71 3g80 h ASN 40 CO 0.03 0.64 -0.10 0.50 -1.65 0.00 0.00 177.43 176.86 3g80 h LYS 41 N 1.10 1.01 -0.32 0.81 3.64 -1.06 -1.40 116.57 120.35 3g80 h LYS 41 Ca 0.36 -0.37 -0.02 0.00 -1.27 0.00 0.00 60.65 59.34 3g80 h LYS 41 Cb 0.03 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.77 3g80 h LYS 41 CO -0.13 1.06 0.11 -0.44 -2.27 0.00 0.00 179.45 177.78 3g80 h ASP 42 N 0.88 0.46 0.43 4.20 3.32 -0.08 -1.49 116.42 124.14 3g80 h ASP 42 Ca 0.14 -0.19 -0.07 0.00 0.02 0.00 0.00 57.03 56.93 3g80 h ASP 42 Cb 0.66 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.08 3g80 h ASP 42 CO 0.05 0.52 -0.35 -0.07 -1.72 0.00 0.00 179.24 177.67 3g80 h LEU 43 N 0.37 0.00 -0.25 1.55 3.38 -1.04 -0.14 115.31 119.18 3g80 h LEU 43 Ca 0.10 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.97 3g80 h LEU 43 Cb 0.22 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 3g80 h LEU 43 CO -0.01 0.35 -0.25 -0.09 0.09 0.00 0.00 178.44 178.54 3g80 h ARG 44 N 0.00 0.61 -0.19 1.13 2.43 -1.02 -0.95 114.38 116.40 3g80 h ARG 44 Ca -0.00 -0.32 -0.08 0.00 -0.81 0.00 0.00 59.98 58.76 3g80 h ARG 44 Cb 0.67 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.21 3g80 h ARG 44 CO 0.05 0.92 -0.25 0.00 -1.51 0.00 0.00 179.97 179.18 3g80 h ALA 45 N 0.68 1.24 -0.30 2.80 0.00 -0.84 -1.75 119.26 121.08 3g80 h ALA 45 Ca 0.04 -0.32 -0.16 0.00 0.00 0.00 0.00 54.91 54.47 3g80 h ALA 45 Cb 0.81 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 3g80 h ALA 45 CO 0.06 0.50 -0.45 0.35 0.00 0.00 0.00 179.25 179.71 3g80 h PHE 46 N 0.31 1.03 -0.50 0.00 3.57 -0.90 -2.15 116.94 118.29 3g80 h PHE 46 Ca 0.05 -0.35 0.00 0.00 3.53 0.00 0.00 57.97 61.20 3g80 h PHE 46 Cb 0.61 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 39.12 3g80 h PHE 46 CO 0.01 1.16 0.33 0.00 -2.23 0.00 0.00 178.31 177.58 3g80 h GLU 48 N 0.68 0.00 -0.42 0.00 5.08 -1.19 -2.84 114.58 115.89 3g80 h GLU 48 Ca 0.18 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.42 3g80 h GLU 48 Cb -0.07 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 3g80 h GLU 48 CO -0.04 0.25 -0.22 0.35 -1.00 0.00 0.00 179.01 178.35 3g80 h PHE 49 N 0.00 1.03 -0.22 4.33 3.57 -0.32 -1.74 116.94 123.59 3g80 h PHE 49 Ca -0.00 -0.26 -0.10 0.00 3.53 0.00 0.00 57.97 61.14 3g80 h PHE 49 Cb 1.03 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 39.52 3g80 h PHE 49 CO 0.00 1.05 -0.28 -0.07 -2.23 0.00 0.00 178.31 176.78 3g80 h LEU 50 N 0.71 0.43 -0.13 0.59 3.38 -1.19 0.24 115.31 119.34 3g80 h LEU 50 Ca 0.09 -0.15 -0.06 0.00 0.09 0.00 0.00 57.88 57.85 3g80 h LEU 50 Cb 0.79 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.42 3g80 h LEU 50 CO 0.07 0.70 -0.15 0.74 0.09 0.00 0.00 178.44 179.89 3g80 h THR 51 N 0.37 1.36 -0.93 0.22 2.02 -1.39 -2.42 112.91 112.15 3g80 h THR 51 Ca 0.05 -1.33 0.02 0.00 0.77 0.00 0.00 66.41 65.92 3g80 h THR 51 Cb 0.69 1.94 -0.05 0.00 -1.74 0.00 0.00 68.15 69.00 3g80 h THR 51 CO 0.05 0.39 0.61 0.58 0.37 0.00 0.00 175.52 177.52 3g80 h VAL 52 N -0.07 1.19 -0.72 3.16 2.07 -1.17 -2.25 116.25 118.46 3g80 h VAL 52 Ca 0.02 -0.41 0.06 0.00 0.82 0.00 0.00 66.70 67.19 3g80 h VAL 52 Cb 0.69 -0.12 -0.06 0.00 -1.52 0.00 0.00 31.29 30.28 3g80 h VAL 52 CO 0.04 0.22 0.41 -0.61 0.02 0.00 0.00 177.57 177.65 3g80 h GLN 53 N 1.21 0.73 -0.51 1.57 4.15 -0.83 -1.69 115.11 119.75 3g80 h GLN 53 Ca 0.35 -0.04 -0.04 0.00 0.77 0.00 0.00 58.65 59.69 3g80 h GLN 53 Cb -0.07 -0.16 -0.02 0.00 0.21 0.00 0.00 27.48 27.44 3g80 h GLN 53 CO -0.10 0.48 0.16 1.25 -1.93 0.00 0.00 178.83 178.70 3g80 h HIS 54 N 0.75 0.81 -0.10 3.99 2.76 -0.91 -2.76 115.15 119.69 3g80 h HIS 54 Ca 0.32 -0.08 -0.09 0.00 -2.20 0.00 0.00 60.37 58.33 3g80 h HIS 54 Cb 0.20 -0.24 -0.01 0.00 1.55 0.00 0.00 27.41 28.91 3g80 h HIS 54 CO -0.07 0.70 -0.33 1.96 -1.30 0.00 0.00 177.93 178.89 3g80 h GLN 55 N 0.69 0.20 -0.39 5.26 4.20 -0.92 0.82 115.11 124.97 3g80 h GLN 55 Ca 0.16 -0.08 -0.14 0.00 0.06 0.00 0.00 58.65 58.66 3g80 h GLN 55 Cb 0.27 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.03 3g80 h GLN 55 CO -0.01 0.51 -0.31 0.00 -0.67 0.00 0.00 178.83 178.36 3g80 h ARG 56 N 0.17 0.87 -0.26 1.46 3.08 -1.26 -0.54 114.38 117.90 3g80 h ARG 56 Ca 0.02 -0.41 -0.07 0.00 0.07 0.00 0.00 59.98 59.59 3g80 h ARG 56 Cb 0.68 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.71 3g80 h ARG 56 CO 0.05 1.06 -0.10 0.00 -1.07 0.00 0.00 179.97 179.90 3g80 h ALA 57 N 0.91 0.36 -0.26 0.04 0.00 -1.15 0.91 119.26 120.08 3g80 h ALA 57 Ca 0.08 -0.30 0.02 0.00 0.00 0.00 0.00 54.91 54.71 3g80 h ALA 57 Cb 0.87 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 3g80 h ALA 57 CO 0.08 0.21 0.10 -0.92 0.00 0.00 0.00 179.25 178.72 3g80 h TYR 58 N 0.27 0.18 -0.55 0.00 3.20 -0.73 0.11 116.97 119.44 3g80 h TYR 58 Ca 0.06 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.89 3g80 h TYR 58 Cb 0.60 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.80 3g80 h TYR 58 CO 0.06 0.09 0.16 0.00 -1.64 0.00 0.00 178.16 176.83 3g80 h ARG 59 N 0.22 0.87 -0.54 1.82 3.08 -1.00 -0.69 114.38 118.15 3g80 h ARG 59 Ca 0.11 -0.20 -0.03 0.00 0.07 0.00 0.00 59.98 59.93 3g80 h ARG 59 Cb 0.07 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 29.97 3g80 h ARG 59 CO -0.10 0.80 0.22 0.00 -1.07 0.00 0.00 179.97 179.82 3g80 h ALA 60 N 1.03 0.70 -0.25 0.04 0.00 -0.28 -1.24 119.26 119.26 3g80 h ALA 60 Ca 0.18 -0.16 -0.16 0.00 0.00 0.00 0.00 54.91 54.77 3g80 h ALA 60 Cb 0.31 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3g80 h ALA 60 CO -0.00 0.30 -0.50 1.79 0.00 0.00 0.00 179.25 180.84 3g80 h THR 61 N 0.73 1.30 -0.35 0.00 1.35 -0.70 -2.43 112.91 112.81 3g80 h THR 61 Ca 0.18 -1.71 -0.01 0.00 -0.55 0.00 0.00 66.41 64.32 3g80 h THR 61 Cb 0.19 1.64 -0.02 0.00 -1.73 0.00 0.00 68.15 68.23 3g80 h THR 61 CO -0.02 0.54 0.18 0.78 -0.25 0.00 0.00 175.52 176.76 3g80 h ASN 62 N 0.54 0.45 0.26 5.36 2.35 -0.92 -0.76 115.58 122.87 3g80 h ASN 62 Ca 0.02 -0.11 -0.04 0.00 -0.55 0.00 0.00 56.30 55.63 3g80 h ASN 62 Cb 1.06 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 39.31 3g80 h ASN 62 CO 0.10 0.43 -0.18 0.28 -1.65 0.00 0.00 177.43 176.42 3g80 h SER 63 N 0.43 0.00 0.03 5.81 0.02 -1.19 -3.13 113.55 115.52 3g80 h SER 63 Ca 0.12 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.07 3g80 h SER 63 Cb 0.09 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.63 3g80 h SER 63 CO -0.02 0.18 -0.01 0.25 -1.14 0.00 0.00 176.83 176.09 3g80 h LEU 64 N 0.00 -0.03 0.00 5.07 5.85 -0.91 -3.36 115.31 121.93 3g80 h LEU 64 Ca -0.00 -0.71 0.00 0.00 0.84 0.00 0.00 57.88 58.01 3g80 h LEU 64 Cb 0.36 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.40 3g80 h LEU 64 CO 0.02 0.75 0.00 0.18 -0.34 0.00 0.00 178.44 179.05 3g80 n LEU 65 N -4.73 0.00 0.03 2.25 4.77 -0.34 -2.35 117.00 116.63 3g80 n LEU 65 Ca -0.08 0.18 0.12 0.00 -0.03 0.00 0.00 56.01 56.19 3g80 n LEU 65 Cb 0.36 -0.18 0.18 0.00 -2.33 0.00 0.00 43.42 41.45 3g80 n LEU 65 CO 0.30 -0.08 0.33 -0.38 -1.33 0.00 0.00 177.39 176.23 3g80 n ILE 66 N -1.18 0.18 -2.22 -0.08 -0.00 -1.19 -4.64 119.36 110.22 3g80 n ILE 66 Ca 0.10 -0.15 -0.40 0.00 -0.00 0.00 0.00 62.75 62.29 3g80 n ILE 66 Cb 0.10 0.09 -0.03 0.00 -0.00 0.00 0.00 39.64 39.80 3g80 n ILE 66 CO 0.00 0.00 0.00 -0.54 -0.00 0.00 0.00 176.55 176.01 3g80 s LYS 67 N -3.10 3.04 0.31 0.38 1.02 -0.99 -4.88 119.74 115.51 3g80 s LYS 67 Ca 0.08 0.58 0.06 0.00 0.02 0.00 0.00 55.97 56.71 3g80 s LYS 67 Cb 0.15 -4.24 0.85 0.00 -0.52 0.00 0.00 37.83 34.07 3g80 s LYS 67 CO 0.73 -2.25 1.64 -1.00 -0.92 0.00 0.00 175.35 173.54 3g80 h PRO 68 N 12.71 0.20 -0.00 -1.68 0.13 -1.89 0.13 132.00 141.60 3g80 h PRO 68 Ca -0.27 -0.01 -0.12 0.00 -0.87 0.00 0.00 66.00 64.72 3g80 h PRO 68 Cb 1.13 -0.05 -0.02 0.00 0.13 0.00 0.00 31.00 32.19 3g80 h PRO 68 CO 1.18 0.13 -0.56 0.00 -0.23 0.00 0.00 178.00 178.52 3g80 h ARG 69 N 0.21 0.01 -0.07 0.86 -0.00 -1.97 -1.43 114.38 111.98 3g80 h ARG 69 Ca 0.62 -0.01 -0.04 0.00 -0.50 0.00 0.00 59.98 60.05 3g80 h ARG 69 Cb 1.33 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.30 3g80 h ARG 69 CO -0.67 0.57 -0.13 0.28 0.00 0.00 0.00 179.97 180.02 3g80 h VAL 70 N 0.01 1.41 -0.80 2.04 2.07 -1.13 -1.74 116.25 118.10 3g80 h VAL 70 Ca -0.01 -1.42 0.00 0.00 0.82 0.00 0.00 66.70 66.10 3g80 h VAL 70 Cb 1.00 2.17 -0.04 0.00 -1.52 0.00 0.00 31.29 32.90 3g80 h VAL 70 CO 0.07 0.40 0.50 0.00 0.02 0.00 0.00 177.57 178.56 3g80 h ALA 71 N 0.50 1.01 -0.67 1.67 0.00 -1.11 -1.17 119.26 119.50 3g80 h ALA 71 Ca 0.00 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 3g80 h ALA 71 Cb 0.70 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 3g80 h ALA 71 CO 0.03 0.46 0.29 0.00 0.00 0.00 0.00 179.25 180.03 3g80 h ALA 72 N 1.27 0.87 -0.40 0.00 0.00 -1.26 -1.81 119.26 117.93 3g80 h ALA 72 Ca 0.29 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.94 3g80 h ALA 72 Cb -0.08 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.43 3g80 h ALA 72 CO -0.06 0.46 -0.16 0.00 0.00 0.00 0.00 179.25 179.49 3g80 h ALA 73 N 1.13 0.96 0.00 0.00 0.00 -0.85 -0.81 119.26 119.69 3g80 h ALA 73 Ca 0.23 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3g80 h ALA 73 Cb 0.17 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3g80 h ALA 73 CO -0.02 0.61 0.00 -0.07 0.00 0.00 0.00 179.25 179.76 3g80 h LEU 74 N 0.67 0.00 -1.23 0.00 3.38 -1.02 -2.95 115.31 114.15 3g80 h LEU 74 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3g80 h LEU 74 Cb 0.65 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.40 3g80 h LEU 74 CO 0.05 0.00 -0.05 0.54 0.09 0.00 0.00 178.44 179.07 3g80 n ARG 75 N -3.07 1.78 -1.02 1.13 1.74 -0.70 -2.73 116.66 113.80 3g80 n ARG 75 Ca 0.03 -1.23 -0.01 0.00 -0.77 0.00 0.00 57.85 55.87 3g80 n ARG 75 Cb 0.43 -1.47 -0.00 0.00 -1.02 0.00 0.00 32.46 30.39 3g80 n ARG 75 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3g80 n GLY 76 N 1.26 0.44 0.00 -0.13 0.00 -1.11 -5.01 105.19 100.63 3g80 n GLY 76 Ca 0.16 -0.12 0.03 0.00 0.00 0.00 0.00 46.02 46.09 3g80 n GLY 76 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50