#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2g31 n ILE 2 N 0.00 -4.22 0.00 0.55 5.41 -1.26 -4.78 119.36 115.06 2g31 n ILE 2 Ca 0.00 -0.57 0.00 0.00 1.00 0.00 0.00 62.75 63.18 2g31 n ILE 2 Cb 0.00 -3.31 0.00 0.00 -0.71 0.00 0.00 39.64 35.62 2g31 n ILE 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2g31 n TYR 3 N -4.10 -0.69 -1.49 1.39 9.36 -1.26 -4.97 117.16 115.40 2g31 n TYR 3 Ca -0.14 0.00 -0.40 0.00 3.32 0.00 0.00 57.90 60.68 2g31 n TYR 3 Cb 0.60 0.17 -0.02 0.00 -0.63 0.00 0.00 39.34 39.46 2g31 n TYR 3 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 2g31 n LYS 4 N -1.84 3.18 0.00 2.98 5.02 -1.26 -4.45 118.16 121.79 2g31 n LYS 4 Ca 0.00 -2.36 0.13 0.00 -2.02 0.00 0.00 58.31 54.06 2g31 n LYS 4 Cb 0.00 -3.03 0.35 0.00 -0.02 0.00 0.00 35.03 32.33 2g31 n LYS 4 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2g31 n GLY 5 N 3.86 -1.19 0.09 0.72 0.00 -1.26 -3.47 105.19 103.94 2g31 n GLY 5 Ca 0.64 -0.31 -0.04 0.00 0.00 0.00 0.00 46.02 46.31 2g31 n GLY 5 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2g31 h VAL 6 N 0.18 0.70 0.00 1.61 3.04 -2.01 -3.30 116.25 116.46 2g31 h VAL 6 Ca 0.00 -2.37 -0.09 0.00 -1.01 0.00 0.00 66.70 63.22 2g31 h VAL 6 Cb 0.49 2.24 -0.01 0.00 -2.01 0.00 0.00 31.29 32.00 2g31 h VAL 6 CO 0.00 0.40 -0.44 0.40 -1.01 0.00 0.00 177.57 176.92 2g31 h ILE 7 N 0.00 0.83 -0.23 3.17 5.03 -1.93 -2.30 117.51 122.08 2g31 h ILE 7 Ca -0.22 -1.94 -0.05 0.00 -0.12 0.00 0.00 64.86 62.53 2g31 h ILE 7 Cb 1.80 2.24 -0.01 0.00 -3.03 0.00 0.00 36.82 37.82 2g31 h ILE 7 CO 0.06 0.43 -0.07 -0.61 -0.68 0.00 0.00 178.15 177.29 2g31 h GLN 8 N 0.00 0.45 -0.07 2.37 5.75 -1.65 -2.46 115.11 119.51 2g31 h GLN 8 Ca -0.00 -0.18 -0.02 0.00 -0.15 0.00 0.00 58.65 58.29 2g31 h GLN 8 Cb 1.20 -0.02 -0.00 0.00 1.07 0.00 0.00 27.48 29.73 2g31 h GLN 8 CO 0.06 0.70 -0.04 0.00 -2.65 0.00 0.00 178.83 176.89 2g31 h ALA 9 N 0.74 0.10 -0.30 3.38 0.00 -1.63 -0.83 119.26 120.72 2g31 h ALA 9 Ca 0.06 -0.25 0.09 0.00 0.00 0.00 0.00 54.91 54.80 2g31 h ALA 9 Cb 0.54 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 2g31 h ALA 9 CO 0.03 -0.13 0.52 0.82 0.00 0.00 0.00 179.25 180.48 2g31 h ILE 10 N -0.25 0.18 0.10 0.00 2.04 -1.42 0.34 117.51 118.51 2g31 h ILE 10 Ca 0.01 0.00 -0.29 0.00 1.00 0.00 0.00 64.86 65.58 2g31 h ILE 10 Cb 0.51 0.55 -0.01 0.00 -0.74 0.00 0.00 36.82 37.13 2g31 h ILE 10 CO 0.01 0.00 -1.53 -0.61 0.00 0.00 0.00 178.15 176.02 2g31 h GLN 11 N 0.00 0.21 -0.67 2.37 4.15 -0.98 -2.92 115.11 117.27 2g31 h GLN 11 Ca 0.14 -0.35 0.09 0.00 0.77 0.00 0.00 58.65 59.31 2g31 h GLN 11 Cb 1.18 0.13 -0.04 0.00 0.21 0.00 0.00 27.48 28.96 2g31 h GLN 11 CO -0.00 1.17 0.45 0.87 -1.93 0.00 0.00 178.83 179.38 2g31 h LYS 12 N -0.34 0.53 0.00 1.69 1.57 0.10 1.28 116.57 121.41 2g31 h LYS 12 Ca -0.34 -0.03 -0.11 0.00 -1.87 0.00 0.00 60.65 58.30 2g31 h LYS 12 Cb 1.75 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 33.92 2g31 h LYS 12 CO 0.02 0.35 -0.52 1.03 -0.57 0.00 0.00 179.45 179.76 2g31 h SER 13 N 0.55 0.00 1.15 0.86 0.87 -1.00 1.13 113.55 117.11 2g31 h SER 13 Ca 0.31 0.00 -0.15 0.00 -1.23 0.00 0.00 61.79 60.72 2g31 h SER 13 Cb 0.48 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.41 2g31 h SER 13 CO -0.10 0.51 -0.89 -0.78 -0.53 0.00 0.00 176.83 175.04 2g31 h ASP 14 N 0.00 0.00 0.02 6.23 3.58 -0.30 -3.31 116.42 122.65 2g31 h ASP 14 Ca -0.01 0.00 -0.17 0.00 0.42 0.00 0.00 57.03 57.28 2g31 h ASP 14 Cb 1.40 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 42.42 2g31 h ASP 14 CO 0.07 0.63 -2.15 -0.62 -2.88 0.00 0.00 179.24 174.29 2g31 n GLU 15 N -3.15 0.67 -3.29 0.28 1.02 0.40 -5.04 120.64 111.54 2g31 n GLU 15 Ca -0.02 -0.10 -0.36 0.00 -0.02 0.00 0.00 57.16 56.65 2g31 n GLU 15 Cb 0.81 -1.53 0.04 0.00 -0.02 0.00 0.00 31.44 30.74 2g31 n GLU 15 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2g31 n GLY 16 N 1.48 0.18 3.82 0.62 0.00 0.39 -4.89 105.19 106.79 2g31 n GLY 16 Ca -0.17 1.06 -0.33 0.00 0.00 0.00 0.00 46.02 46.58 2g31 n GLY 16 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2g31 s HIS 17 N -1.32 3.21 0.00 1.61 3.76 -1.25 -5.04 115.29 116.27 2g31 s HIS 17 Ca 0.35 1.51 0.00 0.00 -0.15 0.00 0.00 55.06 56.77 2g31 s HIS 17 Cb -0.04 -2.91 0.00 0.00 1.11 0.00 0.00 32.58 30.74 2g31 s HIS 17 CO 0.79 -0.68 0.10 -0.35 -0.85 0.00 0.00 174.74 173.76 2g31 n PRO 18 N -1.58 0.00 -0.07 8.40 -0.04 -1.26 -4.44 135.00 136.02 2g31 n PRO 18 Ca 0.08 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.49 2g31 n PRO 18 Cb 0.53 -0.52 -0.16 0.00 -0.04 0.00 0.00 33.50 33.32 2g31 n PRO 18 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2g31 n PHE 19 N -0.40 0.12 -0.30 0.54 3.01 -1.26 -4.34 117.46 114.83 2g31 n PHE 19 Ca 0.00 0.04 0.10 0.00 1.01 0.00 0.00 57.45 58.60 2g31 n PHE 19 Cb 0.00 -0.91 0.27 0.00 -0.01 0.00 0.00 39.48 38.83 2g31 n PHE 19 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2g31 h ARG 20 N 0.00 0.53 0.03 -1.08 3.08 -2.00 -2.20 114.38 112.73 2g31 h ARG 20 Ca -0.39 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.63 2g31 h ARG 20 Cb 1.92 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 31.84 2g31 h ARG 20 CO 0.03 0.35 -0.13 0.00 -1.07 0.00 0.00 179.97 179.15 2g31 h ALA 21 N 1.63 -0.66 -1.76 0.04 0.00 -1.78 0.43 119.26 117.17 2g31 h ALA 21 Ca 0.51 -0.03 0.51 0.00 0.00 0.00 0.00 54.91 55.91 2g31 h ALA 21 Cb 0.85 0.56 -0.07 0.00 0.00 0.00 0.00 17.79 19.13 2g31 h ALA 21 CO -0.43 -0.69 1.29 0.98 0.00 0.00 0.00 179.25 180.40 2g31 n TYR 22 N -3.16 0.00 -0.06 0.00 9.36 -0.85 0.15 117.16 122.60 2g31 n TYR 22 Ca -0.02 0.00 -0.06 0.00 3.32 0.00 0.00 57.90 61.14 2g31 n TYR 22 Cb 0.10 -0.44 -0.05 0.00 -0.63 0.00 0.00 39.34 38.32 2g31 n TYR 22 CO 0.00 0.00 0.00 1.25 0.22 0.00 0.00 176.86 178.33 2g31 h LEU 23 N 0.00 0.00 -2.19 2.98 5.85 -0.63 -3.08 115.31 118.23 2g31 h LEU 23 Ca 0.83 -0.38 0.03 0.00 0.84 0.00 0.00 57.88 59.20 2g31 h LEU 23 Cb 3.41 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 44.43 2g31 h LEU 23 CO -0.01 0.72 0.08 -0.33 -0.34 0.00 0.00 178.44 178.56 2g31 h GLU 24 N -1.00 0.00 0.08 1.25 4.39 0.51 -1.85 114.58 117.97 2g31 h GLU 24 Ca -0.01 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.69 2g31 h GLU 24 Cb 0.42 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.07 2g31 h GLU 24 CO -0.00 0.00 -0.04 1.03 -1.16 0.00 0.00 179.01 178.83 2g31 h SER 25 N 0.00 -0.10 -0.48 1.42 0.87 0.13 -0.36 113.55 115.03 2g31 h SER 25 Ca 0.04 -0.22 0.14 0.00 -1.23 0.00 0.00 61.79 60.52 2g31 h SER 25 Cb 0.21 0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 62.17 2g31 h SER 25 CO -0.00 0.17 0.49 -0.08 -0.53 0.00 0.00 176.83 176.88 2g31 h GLU 26 N -0.37 0.00 0.08 2.24 4.57 -1.24 1.45 114.58 121.32 2g31 h GLU 26 Ca -0.01 0.00 -0.14 0.00 -1.18 0.00 0.00 59.36 58.03 2g31 h GLU 26 Cb 0.31 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 28.91 2g31 h GLU 26 CO 0.02 0.00 -0.65 0.28 -1.18 0.00 0.00 179.01 177.48 2g31 h VAL 27 N 0.00 1.51 0.00 0.32 2.07 -1.30 -2.47 116.25 116.38 2g31 h VAL 27 Ca 0.23 -2.44 -0.02 0.00 0.82 0.00 0.00 66.70 65.29 2g31 h VAL 27 Cb 1.21 3.15 -0.00 0.00 -1.52 0.00 0.00 31.29 34.12 2g31 h VAL 27 CO -0.00 0.66 -0.11 0.00 0.02 0.00 0.00 177.57 178.14 2g31 h ALA 28 N 0.00 1.06 0.01 1.67 0.00 0.97 -2.02 119.26 120.94 2g31 h ALA 28 Ca -0.13 -0.10 -0.21 0.00 0.00 0.00 0.00 54.91 54.47 2g31 h ALA 28 Cb 1.43 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.17 2g31 h ALA 28 CO 0.07 0.13 -1.00 0.97 0.00 0.00 0.00 179.25 179.42 2g31 h ILE 29 N 0.00 1.70 0.00 0.00 -0.00 0.18 -3.16 117.51 116.24 2g31 h ILE 29 Ca -0.00 -3.38 -0.03 0.00 -0.00 0.00 0.00 64.86 61.46 2g31 h ILE 29 Cb 0.54 2.84 -0.00 0.00 -0.00 0.00 0.00 36.82 40.19 2g31 h ILE 29 CO 0.01 0.97 -0.13 0.28 -0.00 0.00 0.00 178.15 179.28 2g31 h SER 30 N 0.00 0.00 0.08 2.19 0.02 -0.87 -1.00 113.55 113.97 2g31 h SER 30 Ca -0.02 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.92 2g31 h SER 30 Cb 1.76 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 64.30 2g31 h SER 30 CO 0.13 0.13 -0.06 -0.33 -1.14 0.00 0.00 176.83 175.57 2g31 h GLU 31 N 0.00 0.00 0.00 3.45 5.08 -1.50 -0.47 114.58 121.14 2g31 h GLU 31 Ca -0.00 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.22 2g31 h GLU 31 Cb 0.26 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 2g31 h GLU 31 CO 0.02 0.06 -0.86 0.93 -1.00 0.00 0.00 179.01 178.16 2g31 h GLU 32 N 0.00 0.00 -0.26 2.33 5.08 -1.34 -3.30 114.58 117.09 2g31 h GLU 32 Ca -0.00 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.37 2g31 h GLU 32 Cb 0.11 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 2g31 h GLU 32 CO 0.01 0.47 0.16 -0.07 -1.00 0.00 0.00 179.01 178.58 2g31 h LEU 33 N 0.00 0.26 -1.84 1.33 -0.00 -0.87 0.34 115.31 114.53 2g31 h LEU 33 Ca -0.06 -0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.82 2g31 h LEU 33 Cb 1.49 -0.06 0.00 0.00 -0.00 0.00 0.00 40.66 42.09 2g31 h LEU 33 CO 0.06 0.19 0.00 1.62 -0.00 0.00 0.00 178.44 180.32 2g31 h VAL 34 N 0.33 0.00 0.09 1.22 3.04 -1.60 -1.14 116.25 118.19 2g31 h VAL 34 Ca 0.10 -0.16 -0.32 0.00 -1.01 0.00 0.00 66.70 65.32 2g31 h VAL 34 Cb -0.02 0.97 -0.02 0.00 -2.01 0.00 0.00 31.29 30.21 2g31 h VAL 34 CO -0.04 0.00 -1.68 -0.61 -1.01 0.00 0.00 177.57 174.23 2g31 h GLN 35 N 0.00 0.20 0.00 4.17 -0.00 -0.92 -3.30 115.11 115.25 2g31 h GLN 35 Ca 0.00 -0.33 -0.04 0.00 -0.00 0.00 0.00 58.65 58.28 2g31 h GLN 35 Cb 0.18 0.12 -0.01 0.00 0.00 0.00 0.00 27.48 27.78 2g31 h GLN 35 CO 0.00 1.00 -0.19 -0.22 0.00 0.00 0.00 178.83 179.42 2g31 h LYS 36 N 0.05 0.00 -0.21 1.69 3.11 0.72 -2.69 116.57 119.25 2g31 h LYS 36 Ca -0.30 0.00 0.06 0.00 -2.81 0.00 0.00 60.65 57.61 2g31 h LYS 36 Cb 2.02 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 33.24 2g31 h LYS 36 CO 0.12 0.19 0.31 0.10 -2.81 0.00 0.00 179.45 177.37 2g31 h TYR 37 N 0.00 0.00 0.02 1.91 -0.00 -1.39 1.58 116.97 119.09 2g31 h TYR 37 Ca -0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 58.73 58.70 2g31 h TYR 37 Cb 0.66 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.40 2g31 h TYR 37 CO 0.00 0.00 -0.13 0.77 -0.00 0.00 0.00 178.16 178.80 2g31 h SER 38 N 0.00 0.08 0.11 0.10 0.02 -1.68 -2.53 113.55 109.65 2g31 h SER 38 Ca 0.10 -0.94 -0.01 0.00 -0.84 0.00 0.00 61.79 60.10 2g31 h SER 38 Cb 0.73 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.24 2g31 h SER 38 CO -0.00 1.02 -0.05 0.78 -1.14 0.00 0.00 176.83 177.43 2g31 h ASN 39 N -0.84 -0.13 -0.99 3.07 2.35 -1.25 -3.19 115.58 114.60 2g31 h ASN 39 Ca -0.02 -0.44 0.21 0.00 -0.55 0.00 0.00 56.30 55.50 2g31 h ASN 39 Cb 1.05 0.03 -0.10 0.00 0.05 0.00 0.00 38.32 39.36 2g31 h ASN 39 CO 0.02 0.44 0.62 0.77 -1.65 0.00 0.00 177.43 177.63 2g31 h SER 40 N -0.78 0.66 -0.23 5.81 4.64 0.20 0.85 113.55 124.70 2g31 h SER 40 Ca -0.02 0.09 0.07 0.00 -0.47 0.00 0.00 61.79 61.46 2g31 h SER 40 Cb 0.56 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.61 2g31 h SER 40 CO 0.03 0.22 0.53 0.00 -0.87 0.00 0.00 176.83 176.74 2g31 h ALA 41 N 1.64 1.83 -0.59 5.18 0.00 -1.43 0.30 119.26 126.18 2g31 h ALA 41 Ca 0.56 -0.01 0.17 0.00 0.00 0.00 0.00 54.91 55.64 2g31 h ALA 41 Cb 1.05 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 2g31 h ALA 41 CO -0.33 -0.65 0.74 1.37 0.00 0.00 0.00 179.25 180.38 2g31 h LEU 42 N 0.00 0.00 -5.20 0.00 8.10 0.62 -2.06 115.31 116.77 2g31 h LEU 42 Ca 0.11 0.00 -0.32 0.00 0.11 0.00 0.00 57.88 57.78 2g31 h LEU 42 Cb 1.17 0.00 -0.27 0.00 -0.44 0.00 0.00 40.66 41.12 2g31 h LEU 42 CO -0.00 0.00 -0.78 0.61 -4.11 0.00 0.00 178.44 174.16 2g31 n GLY 43 N -1.55 1.68 2.47 0.17 0.00 0.92 -4.95 105.19 103.93 2g31 n GLY 43 Ca 0.12 -0.73 -0.01 0.00 0.00 0.00 0.00 46.02 45.39 2g31 n GLY 43 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2g31 n HIS 44 N -0.07 -1.88 0.10 1.61 -0.00 -0.78 -4.68 115.22 109.53 2g31 n HIS 44 Ca 0.08 0.02 -0.00 0.00 0.46 0.00 0.00 57.72 58.28 2g31 n HIS 44 Cb 0.77 -0.98 -0.03 0.00 -0.12 0.00 0.00 29.99 29.63 2g31 n HIS 44 CO 0.00 0.00 0.00 0.28 0.46 0.00 0.00 176.34 177.08 2g31 h VAL 45 N -0.03 0.93 -0.97 3.57 2.07 -1.43 -3.26 116.25 117.13 2g31 h VAL 45 Ca -0.02 -2.39 0.07 0.00 0.82 0.00 0.00 66.70 65.18 2g31 h VAL 45 Cb 0.96 2.42 -0.07 0.00 -1.52 0.00 0.00 31.29 33.08 2g31 h VAL 45 CO 0.03 0.53 0.63 -0.55 0.02 0.00 0.00 177.57 178.23 2g31 h ASN 46 N 0.00 0.98 0.28 0.57 -1.07 -1.81 0.75 115.58 115.27 2g31 h ASN 46 Ca -0.05 0.01 0.00 0.00 0.07 0.00 0.00 56.30 56.34 2g31 h ASN 46 Cb 1.51 -0.19 0.00 0.00 -2.07 0.00 0.00 38.32 37.57 2g31 h ASN 46 CO 0.07 0.61 0.00 0.00 0.07 0.00 0.00 177.43 178.18 2g31 h THR 48 N 0.00 1.20 0.12 0.00 2.02 0.30 -2.51 112.91 114.04 2g31 h THR 48 Ca 0.00 -2.36 -0.23 0.00 0.77 0.00 0.00 66.41 64.59 2g31 h THR 48 Cb 0.14 2.79 0.02 0.00 -1.74 0.00 0.00 68.15 69.36 2g31 h THR 48 CO 0.00 0.60 -0.98 0.16 0.37 0.00 0.00 175.52 175.68 2g31 h ILE 49 N -0.59 1.40 0.49 3.11 -0.00 -0.41 -2.97 117.51 118.54 2g31 h ILE 49 Ca -0.24 -2.44 -0.02 0.00 -0.00 0.00 0.00 64.86 62.16 2g31 h ILE 49 Cb 1.51 2.91 0.00 0.00 -0.00 0.00 0.00 36.82 41.24 2g31 h ILE 49 CO -0.00 0.71 -0.24 0.11 -0.00 0.00 0.00 178.15 178.74 2g31 h LYS 50 N -0.07 -0.64 0.00 0.16 1.79 0.42 0.44 116.57 118.68 2g31 h LYS 50 Ca -0.16 0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.36 2g31 h LYS 50 Cb 1.72 0.15 0.00 0.00 -1.58 0.00 0.00 32.23 32.51 2g31 h LYS 50 CO 0.19 -0.38 0.16 1.49 -1.08 0.00 0.00 179.45 179.82 2g31 h GLU 51 N -0.76 0.00 0.00 3.15 4.81 -1.54 1.73 114.58 121.97 2g31 h GLU 51 Ca -0.07 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 2g31 h GLU 51 Cb 0.55 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.93 2g31 h GLU 51 CO 0.11 0.00 -0.26 1.25 -0.73 0.00 0.00 179.01 179.38 2g31 h LEU 52 N 0.00 0.00 0.05 1.64 5.85 -1.08 -3.18 115.31 118.59 2g31 h LEU 52 Ca 0.00 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 2g31 h LEU 52 Cb 0.31 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.34 2g31 h LEU 52 CO 0.00 0.40 -0.02 -0.09 -0.34 0.00 0.00 178.44 178.38 2g31 h ARG 53 N -0.53 -0.06 -0.06 1.25 1.12 0.27 -3.35 114.38 113.01 2g31 h ARG 53 Ca 0.00 0.00 -0.01 0.00 -1.11 0.00 0.00 59.98 58.87 2g31 h ARG 53 Cb 0.26 0.01 -0.00 0.00 -0.01 0.00 0.00 29.97 30.23 2g31 h ARG 53 CO 0.00 -0.04 0.00 -0.09 -3.11 0.00 0.00 179.97 176.73 2g31 h ARG 54 N -0.09 0.10 -0.13 0.20 2.43 -0.30 -3.46 114.38 113.14 2g31 h ARG 54 Ca -0.01 -0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 59.07 2g31 h ARG 54 Cb 0.05 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.57 2g31 h ARG 54 CO 0.01 0.38 -0.05 1.47 -1.51 0.00 0.00 179.97 180.27 2g31 n LEU 55 N -4.87 0.39 0.00 3.80 -0.00 0.54 -4.58 117.00 112.28 2g31 n LEU 55 Ca -0.07 0.07 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 2g31 n LEU 55 Cb 0.18 -2.00 0.00 0.00 -0.00 0.00 0.00 43.42 41.60 2g31 n LEU 55 CO 0.34 -0.74 -0.04 0.49 -0.00 0.00 0.00 177.39 177.44 2g31 n PHE 56 N -2.33 0.00 0.02 1.47 3.72 -1.26 -4.87 117.46 114.21 2g31 n PHE 56 Ca -0.03 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.25 2g31 n PHE 56 Cb 0.39 0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 38.85 2g31 n PHE 56 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 2g31 h LEU 57 N 0.00 -0.01 -3.11 4.37 5.85 -1.83 -3.48 115.31 117.10 2g31 h LEU 57 Ca 0.00 -0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.53 2g31 h LEU 57 Cb 0.08 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.11 2g31 h LEU 57 CO 0.00 0.18 -0.81 1.33 -0.34 0.00 0.00 178.44 178.80 2g31 n VAL 58 N -5.00 -3.56 -3.06 1.05 0.24 -1.26 -4.11 118.33 102.63 2g31 n VAL 58 Ca -0.08 0.67 -0.00 0.00 -2.04 0.00 0.00 64.34 62.89 2g31 n VAL 58 Cb 0.12 -3.55 -0.00 0.00 -1.47 0.00 0.00 33.84 28.93 2g31 n VAL 58 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 2g31 n ASP 59 N 1.51 -6.81 0.00 -1.34 5.75 -1.25 -4.80 116.55 109.62 2g31 n ASP 59 Ca -0.02 0.70 0.00 0.00 -0.01 0.00 0.00 54.79 55.46 2g31 n ASP 59 Cb 0.34 -2.50 0.00 0.00 -1.03 0.00 0.00 41.12 37.93 2g31 n ASP 59 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42