#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 0.00 0.00 5.15 -5.35 -1.26 -4.96 119.36 112.94 2g31 n ILE 2 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 2g31 n ILE 2 Cb 0.00 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 37.90 2g31 n ILE 2 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2g31 n TYR 3 N 0.00 0.00 -0.07 4.28 4.19 -1.26 -4.56 117.16 119.74 2g31 n TYR 3 Ca 0.00 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.21 2g31 n TYR 3 Cb 0.00 0.00 0.00 0.00 0.49 0.00 0.00 39.34 39.83 2g31 n TYR 3 CO 0.00 0.00 0.00 0.36 0.91 0.00 0.00 176.86 178.13 2g31 n LYS 4 N 0.00 3.20 -0.77 2.98 0.00 -1.26 -4.82 118.16 117.50 2g31 n LYS 4 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 2g31 n LYS 4 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.03 2g31 n LYS 4 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2g31 n GLY 5 N 5.00 0.83 0.74 2.58 0.00 -1.26 -4.83 105.19 108.25 2g31 n GLY 5 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 2g31 n GLY 5 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2g31 n VAL 6 N -2.15 0.87 0.05 1.61 3.14 -1.26 -3.38 118.33 117.21 2g31 n VAL 6 Ca 0.00 0.09 0.21 0.00 -2.96 0.00 0.00 64.34 61.68 2g31 n VAL 6 Cb 0.00 -1.71 0.72 0.00 -1.06 0.00 0.00 33.84 31.79 2g31 n VAL 6 CO 0.00 0.00 0.00 0.16 -6.46 0.00 0.00 176.83 170.53 2g31 h ILE 7 N -0.31 0.36 0.02 1.55 3.07 -1.94 1.64 117.51 121.90 2g31 h ILE 7 Ca -0.12 0.00 -0.39 0.00 1.55 0.00 0.00 64.86 65.90 2g31 h ILE 7 Cb 0.78 0.60 -0.06 0.00 -0.27 0.00 0.00 36.82 37.87 2g31 h ILE 7 CO -0.07 0.00 -2.28 1.67 -1.05 0.00 0.00 178.15 176.42 2g31 n GLN 8 N -3.73 0.63 -0.02 0.16 -0.06 -1.26 -3.30 117.38 109.80 2g31 n GLN 8 Ca 0.09 0.26 0.03 0.00 -2.00 0.00 0.00 57.00 55.38 2g31 n GLN 8 Cb 0.70 -1.57 0.39 0.00 -4.06 0.00 0.00 30.24 25.70 2g31 n GLN 8 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2g31 h ALA 9 N -0.42 1.63 0.00 1.69 0.00 -1.23 0.82 119.26 121.75 2g31 h ALA 9 Ca -0.58 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.21 2g31 h ALA 9 Cb 1.74 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 19.34 2g31 h ALA 9 CO -0.21 0.32 -0.32 -0.84 0.00 0.00 0.00 179.25 178.21 2g31 h ILE 10 N 0.59 0.56 -0.03 0.00 3.07 0.22 -3.27 117.51 118.65 2g31 h ILE 10 Ca 0.16 -1.73 -0.01 0.00 1.55 0.00 0.00 64.86 64.83 2g31 h ILE 10 Cb -0.00 2.22 -0.00 0.00 -0.27 0.00 0.00 36.82 38.77 2g31 h ILE 10 CO -0.03 0.31 -0.02 1.56 -1.05 0.00 0.00 178.15 178.93 2g31 h GLN 11 N 0.00 0.06 -0.67 0.16 1.08 -0.88 -2.95 115.11 111.92 2g31 h GLN 11 Ca -0.00 -0.03 0.14 0.00 -1.45 0.00 0.00 58.65 57.31 2g31 h GLN 11 Cb 1.20 -0.00 -0.12 0.00 -0.05 0.00 0.00 27.48 28.50 2g31 h GLN 11 CO 0.04 0.47 -0.11 0.87 -0.95 0.00 0.00 178.83 179.15 2g31 h LYS 12 N -0.35 0.03 -0.28 1.46 6.56 -1.30 1.64 116.57 124.33 2g31 h LYS 12 Ca 0.01 -0.00 0.08 0.00 -1.06 0.00 0.00 60.65 59.67 2g31 h LYS 12 Cb 0.46 -0.01 -0.01 0.00 -0.57 0.00 0.00 32.23 32.10 2g31 h LYS 12 CO 0.00 0.02 0.22 0.77 -2.06 0.00 0.00 179.45 178.40 2g31 h SER 13 N 0.03 0.00 0.95 0.86 0.02 -1.62 1.39 113.55 115.18 2g31 h SER 13 Ca 0.33 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 61.11 2g31 h SER 13 Cb 0.53 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.04 2g31 h SER 13 CO -0.66 0.00 -1.12 0.44 -1.14 0.00 0.00 176.83 174.35 2g31 h ASP 14 N 0.00 0.00 0.00 3.07 3.32 0.21 -3.28 116.42 119.74 2g31 h ASP 14 Ca 0.13 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.18 2g31 h ASP 14 Cb 0.57 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.12 2g31 h ASP 14 CO -0.00 0.67 -0.01 -0.08 -1.72 0.00 0.00 179.24 178.10 2g31 h GLU 15 N 0.00 0.00 0.00 3.56 4.81 0.47 -3.29 114.58 120.14 2g31 h GLU 15 Ca -0.11 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.12 2g31 h GLU 15 Cb 1.60 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.98 2g31 h GLU 15 CO 0.07 0.00 0.00 0.41 -0.73 0.00 0.00 179.01 178.76 2g31 n GLY 16 N 1.86 -3.47 3.72 1.92 0.00 0.44 -4.59 105.19 105.07 2g31 n GLY 16 Ca -0.00 0.64 -0.30 0.00 0.00 0.00 0.00 46.02 46.35 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 -1.42 2.28 -0.79 1.61 3.76 -1.24 -4.90 115.29 114.60 2g31 s HIS 17 Ca 0.00 1.41 -0.26 0.00 -0.15 0.00 0.00 55.06 56.07 2g31 s HIS 17 Cb 0.00 -3.14 0.00 0.00 1.11 0.00 0.00 32.58 30.56 2g31 s HIS 17 CO 0.00 -2.31 1.62 -1.25 -0.85 0.00 0.00 174.74 171.95 2g31 s PRO 18 N -4.87 2.98 0.49 8.40 0.04 -1.26 -4.58 135.00 136.20 2g31 s PRO 18 Ca 0.63 -0.17 0.18 0.00 0.04 0.00 0.00 61.00 61.68 2g31 s PRO 18 Cb -0.19 -4.65 1.22 0.00 0.04 0.00 0.00 34.50 30.92 2g31 s PRO 18 CO 0.57 -2.58 2.03 0.27 0.04 0.00 0.00 177.00 177.34 2g31 h PHE 19 N 11.71 0.17 -0.79 0.56 -0.00 -1.80 -2.42 116.94 124.37 2g31 h PHE 19 Ca -0.10 0.00 0.13 0.00 -0.00 0.00 0.00 57.97 58.00 2g31 h PHE 19 Cb 1.07 -0.05 -0.14 0.00 -0.00 0.00 0.00 35.95 36.83 2g31 h PHE 19 CO 1.15 0.08 -0.37 -0.09 -0.00 0.00 0.00 178.31 179.08 2g31 h ARG 20 N 0.16 -0.08 0.44 6.09 2.43 -1.89 0.55 114.38 122.08 2g31 h ARG 20 Ca 0.19 0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.34 2g31 h ARG 20 Cb 0.55 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.12 2g31 h ARG 20 CO -0.03 -0.05 -0.21 0.00 -1.51 0.00 0.00 179.97 178.17 2g31 h ALA 21 N 1.15 -0.59 -1.46 2.80 0.00 -1.86 -1.39 119.26 117.92 2g31 h ALA 21 Ca 0.28 -0.14 0.46 0.00 0.00 0.00 0.00 54.91 55.51 2g31 h ALA 21 Cb 0.57 0.23 -0.10 0.00 0.00 0.00 0.00 17.79 18.49 2g31 h ALA 21 CO -0.83 -0.56 1.00 0.66 0.00 0.00 0.00 179.25 179.51 2g31 n TYR 22 N -5.17 0.37 -0.06 0.00 4.02 -0.83 0.19 117.16 115.67 2g31 n TYR 22 Ca -0.08 0.37 -0.05 0.00 -0.01 0.00 0.00 57.90 58.13 2g31 n TYR 22 Cb 0.25 -0.80 -0.04 0.00 -0.02 0.00 0.00 39.34 38.72 2g31 n TYR 22 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 176.86 177.10 2g31 h LEU 23 N 0.00 0.00 -2.07 7.72 7.12 0.13 -2.14 115.31 126.07 2g31 h LEU 23 Ca 0.81 -0.31 0.10 0.00 0.13 0.00 0.00 57.88 58.62 2g31 h LEU 23 Cb 2.90 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 43.01 2g31 h LEU 23 CO -0.25 0.69 0.32 -0.33 -0.13 0.00 0.00 178.44 178.75 2g31 h GLU 24 N -1.00 0.00 0.11 1.25 5.08 0.14 0.54 114.58 120.70 2g31 h GLU 24 Ca -0.01 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 2g31 h GLU 24 Cb 0.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.62 2g31 h GLU 24 CO -0.01 0.00 -0.05 0.77 -1.00 0.00 0.00 179.01 178.72 2g31 h SER 25 N 0.00 -0.12 0.10 1.42 0.02 0.19 -1.93 113.55 113.24 2g31 h SER 25 Ca 0.17 -0.33 -0.01 0.00 -0.84 0.00 0.00 61.79 60.78 2g31 h SER 25 Cb 0.82 0.03 -0.00 0.00 0.14 0.00 0.00 62.40 63.39 2g31 h SER 25 CO -0.00 0.49 -0.03 -0.08 -1.14 0.00 0.00 176.83 176.07 2g31 h GLU 26 N -0.97 0.00 0.24 3.45 4.81 -0.64 -0.01 114.58 121.46 2g31 h GLU 26 Ca -0.01 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.20 2g31 h GLU 26 Cb 0.45 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.83 2g31 h GLU 26 CO 0.02 0.03 -0.11 0.28 -0.73 0.00 0.00 179.01 178.50 2g31 h VAL 27 N 0.00 0.36 -0.10 0.32 2.07 0.02 -0.66 116.25 118.26 2g31 h VAL 27 Ca -0.00 -0.91 0.03 0.00 0.82 0.00 0.00 66.70 66.64 2g31 h VAL 27 Cb 0.09 0.61 -0.00 0.00 -1.52 0.00 0.00 31.29 30.47 2g31 h VAL 27 CO 0.00 0.10 0.14 0.00 0.02 0.00 0.00 177.57 177.83 2g31 h ALA 28 N -0.79 1.61 0.00 1.67 0.00 -0.98 0.65 119.26 121.42 2g31 h ALA 28 Ca -0.03 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 2g31 h ALA 28 Cb 0.41 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 2g31 h ALA 28 CO 0.05 -0.19 -0.64 0.82 0.00 0.00 0.00 179.25 179.30 2g31 h ILE 29 N 0.00 0.62 -0.07 0.00 1.08 -0.97 -3.24 117.51 114.93 2g31 h ILE 29 Ca 0.05 -1.93 -0.17 0.00 -0.39 0.00 0.00 64.86 62.42 2g31 h ILE 29 Cb 0.32 2.23 -0.01 0.00 -3.07 0.00 0.00 36.82 36.29 2g31 h ILE 29 CO -0.00 0.35 -0.69 0.77 -0.69 0.00 0.00 178.15 177.89 2g31 h SER 30 N 0.00 0.37 -0.42 1.72 4.64 0.19 -2.93 113.55 117.13 2g31 h SER 30 Ca -0.03 -0.24 0.12 0.00 -0.47 0.00 0.00 61.79 61.17 2g31 h SER 30 Cb 1.34 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 63.31 2g31 h SER 30 CO 0.05 0.95 0.50 -0.08 -0.87 0.00 0.00 176.83 177.37 2g31 h GLU 31 N 0.22 0.00 0.00 4.77 4.57 -1.38 0.97 114.58 123.74 2g31 h GLU 31 Ca -0.02 0.00 -0.18 0.00 -1.18 0.00 0.00 59.36 57.98 2g31 h GLU 31 Cb 1.24 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.81 2g31 h GLU 31 CO 0.11 0.00 -0.85 0.93 -1.18 0.00 0.00 179.01 178.02 2g31 h GLU 32 N 0.00 0.06 -0.05 1.92 5.08 -1.68 -2.71 114.58 117.20 2g31 h GLU 32 Ca 0.20 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.48 2g31 h GLU 32 Cb 1.19 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.46 2g31 h GLU 32 CO -0.00 0.87 0.01 -0.07 -1.00 0.00 0.00 179.01 178.82 2g31 h LEU 33 N 0.03 0.08 -2.14 1.33 4.07 0.86 1.42 115.31 120.97 2g31 h LEU 33 Ca -0.02 -0.26 -0.01 0.00 0.08 0.00 0.00 57.88 57.66 2g31 h LEU 33 Cb 1.48 -0.02 -0.00 0.00 1.08 0.00 0.00 40.66 43.20 2g31 h LEU 33 CO 0.12 0.33 -0.07 -0.37 -1.08 0.00 0.00 178.44 177.37 2g31 h VAL 34 N -0.16 0.38 0.12 1.22 -1.51 -1.50 -0.36 116.25 114.44 2g31 h VAL 34 Ca 0.02 -0.36 -0.33 0.00 -1.23 0.00 0.00 66.70 64.80 2g31 h VAL 34 Cb 0.28 1.25 -0.01 0.00 -2.13 0.00 0.00 31.29 30.68 2g31 h VAL 34 CO 0.00 0.06 -1.75 -0.61 -1.23 0.00 0.00 177.57 174.05 2g31 h GLN 35 N 0.00 0.25 0.00 5.19 4.15 -1.05 -3.31 115.11 120.34 2g31 h GLN 35 Ca -0.00 -0.43 -0.04 0.00 0.77 0.00 0.00 58.65 58.96 2g31 h GLN 35 Cb 0.25 0.16 -0.01 0.00 0.21 0.00 0.00 27.48 28.09 2g31 h GLN 35 CO 0.01 1.10 -0.17 -0.22 -1.93 0.00 0.00 178.83 177.61 2g31 h LYS 36 N 0.07 0.00 -0.22 1.69 1.63 0.27 -2.31 116.57 117.69 2g31 h LYS 36 Ca -0.33 0.00 0.06 0.00 -0.85 0.00 0.00 60.65 59.54 2g31 h LYS 36 Cb 2.04 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 33.66 2g31 h LYS 36 CO 0.13 0.17 0.28 0.10 -3.45 0.00 0.00 179.45 176.68 2g31 h TYR 37 N 0.00 0.00 0.19 1.91 -0.00 -1.18 2.17 116.97 120.07 2g31 h TYR 37 Ca -0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 58.73 58.42 2g31 h TYR 37 Cb 0.51 0.00 0.03 0.00 -0.00 0.00 0.00 36.73 37.27 2g31 h TYR 37 CO 0.00 0.00 -1.37 1.03 -0.00 0.00 0.00 178.16 177.82 2g31 h SER 38 N 0.00 0.74 0.00 0.10 0.87 -1.61 -2.24 113.55 111.41 2g31 h SER 38 Ca 0.10 -0.76 -0.02 0.00 -1.23 0.00 0.00 61.79 59.87 2g31 h SER 38 Cb 0.65 -0.24 -0.00 0.00 -0.44 0.00 0.00 62.40 62.37 2g31 h SER 38 CO -0.00 1.59 -0.31 -1.13 -0.53 0.00 0.00 176.83 176.45 2g31 h ASN 39 N 0.16 0.00 -0.43 6.23 -1.24 -0.86 -3.34 115.58 116.10 2g31 h ASN 39 Ca -0.21 -0.18 0.12 0.00 0.71 0.00 0.00 56.30 56.75 2g31 h ASN 39 Cb 2.06 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 41.09 2g31 h ASN 39 CO 0.25 0.75 0.38 0.77 -1.29 0.00 0.00 177.43 178.29 2g31 h SER 40 N -1.00 0.00 0.00 1.15 4.64 0.32 -3.21 113.55 115.45 2g31 h SER 40 Ca -0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 2g31 h SER 40 Cb 0.44 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 2g31 h SER 40 CO -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.94 2g31 n ALA 41 N -2.47 0.00 0.00 5.18 0.00 -0.84 -4.47 120.51 117.91 2g31 n ALA 41 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 2g31 n ALA 41 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.02 2g31 n ALA 41 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2g31 n LEU 42 N 0.00 0.00 -2.69 0.00 4.77 -1.22 -3.61 117.00 114.26 2g31 n LEU 42 Ca 0.00 0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 55.93 2g31 n LEU 42 Cb 0.00 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.17 2g31 n LEU 42 CO 0.00 0.00 0.54 0.61 -1.33 0.00 0.00 177.39 177.21 2g31 n GLY 43 N 0.00 -1.08 1.16 -0.72 0.00 -1.26 -5.07 105.19 98.22 2g31 n GLY 43 Ca 0.00 0.69 0.00 0.00 0.00 0.00 0.00 46.02 46.71 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 1.09 0.00 0.00 1.61 -0.00 -1.24 -5.05 115.22 111.63 2g31 n HIS 44 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.73 2g31 n HIS 44 Cb 0.71 -1.16 0.00 0.00 -0.00 0.00 0.00 29.99 29.54 2g31 n HIS 44 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 2g31 n VAL 45 N 0.04 0.00 -0.15 3.57 0.31 -1.25 -4.90 118.33 115.94 2g31 n VAL 45 Ca 0.00 0.00 0.17 0.00 -0.01 0.00 0.00 64.34 64.50 2g31 n VAL 45 Cb 0.00 0.00 0.53 0.00 -0.91 0.00 0.00 33.84 33.46 2g31 n VAL 45 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 2g31 h ASN 46 N 0.00 0.34 0.28 4.52 7.08 -1.79 1.25 115.58 127.25 2g31 h ASN 46 Ca 0.00 0.02 -0.02 0.00 -3.08 0.00 0.00 56.30 53.22 2g31 h ASN 46 Cb 0.00 -0.05 -0.00 0.00 -2.08 0.00 0.00 38.32 36.19 2g31 h ASN 46 CO 0.00 0.17 -0.09 0.00 -2.08 0.00 0.00 177.43 175.43 2g31 h THR 48 N 0.00 1.16 -0.22 0.00 2.02 0.11 -2.59 112.91 113.39 2g31 h THR 48 Ca -0.00 -2.36 -0.17 0.00 0.77 0.00 0.00 66.41 64.65 2g31 h THR 48 Cb 0.25 2.76 -0.00 0.00 -1.74 0.00 0.00 68.15 69.42 2g31 h THR 48 CO 0.01 0.62 -0.55 0.16 0.37 0.00 0.00 175.52 176.13 2g31 h ILE 49 N -0.53 1.31 0.70 3.11 -0.00 -0.59 -2.19 117.51 119.32 2g31 h ILE 49 Ca -0.26 -1.78 -0.03 0.00 -0.00 0.00 0.00 64.86 62.79 2g31 h ILE 49 Cb 1.56 1.72 0.01 0.00 -0.00 0.00 0.00 36.82 40.11 2g31 h ILE 49 CO 0.01 0.56 -0.34 0.11 -0.00 0.00 0.00 178.15 178.50 2g31 h LYS 50 N 0.51 -0.90 0.00 0.16 1.57 0.28 -2.31 116.57 115.88 2g31 h LYS 50 Ca 0.01 0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 2g31 h LYS 50 Cb 1.12 0.21 0.00 0.00 0.08 0.00 0.00 32.23 33.63 2g31 h LYS 50 CO 0.11 -0.58 0.19 1.05 -0.57 0.00 0.00 179.45 179.65 2g31 h GLU 51 N -1.18 0.00 0.08 3.15 4.11 -1.51 0.55 114.58 119.78 2g31 h GLU 51 Ca -0.10 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.33 2g31 h GLU 51 Cb 0.74 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.99 2g31 h GLU 51 CO 0.16 0.00 -0.04 1.25 0.07 0.00 0.00 179.01 180.45 2g31 h LEU 52 N 0.00 -0.09 0.00 3.06 7.12 -0.85 -3.01 115.31 121.54 2g31 h LEU 52 Ca 0.00 -0.49 0.00 0.00 0.13 0.00 0.00 57.88 57.52 2g31 h LEU 52 Cb 0.39 0.02 0.00 0.00 -0.53 0.00 0.00 40.66 40.54 2g31 h LEU 52 CO 0.00 0.50 -0.04 -1.14 -0.13 0.00 0.00 178.44 177.62 2g31 n ARG 53 N -4.86 0.04 0.07 1.25 0.00 -0.08 -4.59 116.66 108.49 2g31 n ARG 53 Ca -0.08 0.25 -0.11 0.00 -0.00 0.00 0.00 57.85 57.91 2g31 n ARG 53 Cb 0.29 -0.81 -0.05 0.00 0.00 0.00 0.00 32.46 31.90 2g31 n ARG 53 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.63 177.54 2g31 h ARG 54 N -0.08 -0.31 0.00 -0.14 9.65 -0.24 -3.46 114.38 119.80 2g31 h ARG 54 Ca 0.00 0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.90 2g31 h ARG 54 Cb 0.04 0.07 0.00 0.00 -1.39 0.00 0.00 29.97 28.69 2g31 h ARG 54 CO 0.00 -0.20 0.00 1.28 2.80 0.00 0.00 179.97 183.85 2g31 n LEU 55 N -5.32 0.05 0.00 3.80 4.77 -0.49 -4.66 117.00 115.15 2g31 n LEU 55 Ca -0.05 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.93 2g31 n LEU 55 Cb 0.23 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 41.02 2g31 n LEU 55 CO 0.25 -0.03 0.00 0.33 -1.33 0.00 0.00 177.39 176.61 2g31 n PHE 56 N -2.42 -0.01 -0.38 -1.77 -0.00 -1.26 -4.87 117.46 106.75 2g31 n PHE 56 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 57.45 57.35 2g31 n PHE 56 Cb 0.01 0.16 -0.09 0.00 -0.00 0.00 0.00 39.48 39.56 2g31 n PHE 56 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.76 176.65 2g31 n LEU 57 N -1.82 -0.95 -3.15 -2.13 -0.00 -1.26 -4.87 117.00 102.82 2g31 n LEU 57 Ca 0.00 1.70 -0.16 0.00 -0.00 0.00 0.00 56.01 57.55 2g31 n LEU 57 Cb 0.00 -0.26 0.01 0.00 -0.00 0.00 0.00 43.42 43.18 2g31 n LEU 57 CO 0.00 -1.35 -0.00 0.52 -0.00 0.00 0.00 177.39 176.56 2g31 n VAL 58 N -5.01 -8.39 -2.57 1.96 0.31 -1.26 -4.47 118.33 98.90 2g31 n VAL 58 Ca 0.02 0.39 -0.06 0.00 -0.01 0.00 0.00 64.34 64.68 2g31 n VAL 58 Cb 0.23 -5.87 -0.05 0.00 -0.91 0.00 0.00 33.84 27.24 2g31 n VAL 58 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 2g31 n ASP 59 N -0.79 -0.63 0.00 4.52 2.03 -1.23 -4.71 116.55 115.74 2g31 n ASP 59 Ca 0.00 1.37 0.00 0.00 0.52 0.00 0.00 54.79 56.68 2g31 n ASP 59 Cb 0.55 -5.26 0.00 0.00 -0.72 0.00 0.00 41.12 35.69 2g31 n ASP 59 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75