#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xg1 s SER 2 N 0.00 6.35 -0.08 1.61 0.15 -1.26 -5.04 113.70 115.43 1xg1 s SER 2 Ca 0.00 2.39 -0.03 0.00 0.70 0.00 0.00 55.95 59.00 1xg1 s SER 2 Cb 0.00 -2.61 0.04 0.00 -1.71 0.00 0.00 66.02 61.74 1xg1 s SER 2 CO 0.00 -0.80 0.18 -2.28 1.20 0.00 0.00 173.24 171.54 1xg1 s HIS 3 N -1.43 -0.22 0.19 3.44 5.65 -1.26 -5.13 115.29 116.53 1xg1 s HIS 3 Ca 0.59 0.61 -0.17 0.00 0.25 0.00 0.00 55.06 56.35 1xg1 s HIS 3 Cb -0.31 -0.11 -0.08 0.00 -1.18 0.00 0.00 32.58 30.90 1xg1 s HIS 3 CO 0.39 -0.23 0.64 0.00 -0.65 0.00 0.00 174.74 174.90 1xg1 s MET 4 N 1.64 4.11 0.37 2.88 0.00 -1.26 -4.14 119.30 122.90 1xg1 s MET 4 Ca -0.05 0.68 -0.18 0.00 0.00 0.00 0.00 55.69 56.15 1xg1 s MET 4 Cb -0.12 -2.89 -0.10 0.00 0.00 0.00 0.00 34.83 31.73 1xg1 s MET 4 CO -0.07 0.42 0.84 -2.00 0.00 0.00 0.00 175.02 174.22 1xg1 s GLU 5 N -2.00 4.13 -0.02 3.16 2.12 -1.26 -4.97 118.70 119.86 1xg1 s GLU 5 Ca 0.41 0.90 -0.36 0.00 0.36 0.00 0.00 54.97 56.28 1xg1 s GLU 5 Cb -0.16 -2.33 -0.15 0.00 0.26 0.00 0.00 34.13 31.76 1xg1 s GLU 5 CO 0.20 0.08 1.61 -3.47 -0.54 0.00 0.00 175.26 173.13 1xg1 n ASP 6 N -0.46 2.55 -3.63 -1.70 2.03 -1.26 -4.95 116.55 109.14 1xg1 n ASP 6 Ca 0.05 1.07 -0.13 0.00 0.52 0.00 0.00 54.79 56.30 1xg1 n ASP 6 Cb 0.53 -1.27 -0.07 0.00 -0.72 0.00 0.00 41.12 39.59 1xg1 n ASP 6 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 1xg1 s SER 7 N 2.06 -0.78 0.19 1.67 0.15 -1.26 -4.93 113.70 110.79 1xg1 s SER 7 Ca 0.88 1.46 -0.06 0.00 0.70 0.00 0.00 55.95 58.93 1xg1 s SER 7 Cb -0.86 1.45 0.10 0.00 -1.71 0.00 0.00 66.02 64.99 1xg1 s SER 7 CO 0.50 -0.25 1.53 0.71 1.20 0.00 0.00 173.24 176.94 1xg1 h THR 8 N 4.20 1.29 0.00 6.45 1.35 -2.03 -3.44 112.91 120.72 1xg1 h THR 8 Ca -0.29 -1.59 0.00 0.00 -0.55 0.00 0.00 66.41 63.98 1xg1 h THR 8 Cb 1.17 1.50 0.00 0.00 -1.73 0.00 0.00 68.15 69.10 1xg1 h THR 8 CO 0.07 0.51 0.00 0.41 -0.25 0.00 0.00 175.52 176.27 1xg1 n THR 9 N -4.03 0.00 -3.48 6.82 -1.04 -1.26 -5.12 114.28 106.17 1xg1 n THR 9 Ca -0.02 0.00 0.01 0.00 -2.04 0.00 0.00 64.05 62.00 1xg1 n THR 9 Cb 0.54 -0.29 -0.04 0.00 -1.82 0.00 0.00 70.33 68.72 1xg1 n THR 9 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1xg1 s ASN 10 N -3.75 -0.72 0.01 8.00 6.03 -1.26 -5.16 114.94 118.09 1xg1 s ASN 10 Ca 0.00 1.00 -0.02 0.00 -1.03 0.00 0.00 52.86 52.81 1xg1 s ASN 10 Cb 0.00 1.81 -0.04 0.00 -3.03 0.00 0.00 41.25 39.99 1xg1 s ASN 10 CO 0.00 -0.14 0.18 -0.63 -2.03 0.00 0.00 177.10 174.48 1xg1 s ILE 11 N 2.52 5.38 -0.33 0.54 -1.09 -1.26 -4.97 121.20 121.98 1xg1 s ILE 11 Ca -0.04 -0.24 -0.04 0.00 -2.23 0.00 0.00 60.65 58.10 1xg1 s ILE 11 Cb -0.07 -3.54 -0.10 0.00 -1.58 0.00 0.00 42.46 37.16 1xg1 s ILE 11 CO -0.18 0.27 2.07 0.41 -1.23 0.00 0.00 174.94 176.29 1xg1 n THR 12 N 0.77 1.82 0.00 2.92 -1.04 -1.26 -2.88 114.28 114.62 1xg1 n THR 12 Ca -0.09 -0.99 0.00 0.00 -2.04 0.00 0.00 64.05 60.92 1xg1 n THR 12 Cb 0.52 -1.88 0.00 0.00 -1.82 0.00 0.00 70.33 67.15 1xg1 n THR 12 CO 0.00 0.00 0.00 2.29 -0.64 0.00 0.00 175.07 176.72 1xg1 n LYS 13 N 3.35 0.00 -2.18 -2.82 2.85 -1.26 -5.07 118.16 113.03 1xg1 n LYS 13 Ca 0.30 0.00 -0.42 0.00 -1.05 0.00 0.00 58.31 57.14 1xg1 n LYS 13 Cb 0.33 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 34.68 1xg1 n LYS 13 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 1xg1 s LYS 14 N 0.00 4.34 0.27 -1.58 1.02 -1.14 -4.76 119.74 117.90 1xg1 s LYS 14 Ca 0.00 2.08 0.00 0.00 0.02 0.00 0.00 55.97 58.07 1xg1 s LYS 14 Cb 0.00 -3.22 0.00 0.00 -0.52 0.00 0.00 37.83 34.09 1xg1 s LYS 14 CO 0.00 -0.37 0.00 1.04 -0.92 0.00 0.00 175.35 175.10 1xg1 n GLN 15 N 3.36 -2.51 -2.94 1.68 6.02 -1.26 -4.98 117.38 116.74 1xg1 n GLN 15 Ca 0.09 1.86 -0.32 0.00 -0.01 0.00 0.00 57.00 58.62 1xg1 n GLN 15 Cb 0.42 -2.09 -0.06 0.00 1.02 0.00 0.00 30.24 29.54 1xg1 n GLN 15 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1xg1 s LYS 16 N -4.50 4.03 -0.03 -1.09 -0.14 -1.26 -5.04 119.74 111.70 1xg1 s LYS 16 Ca 0.00 0.79 0.01 0.00 -1.36 0.00 0.00 55.97 55.42 1xg1 s LYS 16 Cb 0.00 -2.33 -0.03 0.00 -1.68 0.00 0.00 37.83 33.79 1xg1 s LYS 16 CO 0.00 0.04 -0.04 -1.58 -0.76 0.00 0.00 175.35 173.00 1xg1 s TRP 17 N -2.15 2.98 0.59 3.18 0.52 -1.26 -5.00 118.94 117.79 1xg1 s TRP 17 Ca 0.56 0.03 -0.09 0.00 0.02 0.00 0.00 56.10 56.63 1xg1 s TRP 17 Cb -0.10 -1.67 -0.03 0.00 -1.15 0.00 0.00 33.47 30.52 1xg1 s TRP 17 CO 0.19 0.39 0.96 0.95 0.02 0.00 0.00 176.95 179.46 1xg1 s THR 18 N -0.94 4.55 0.25 2.01 -4.23 -1.26 -4.90 115.64 111.10 1xg1 s THR 18 Ca 0.16 0.58 -0.06 0.00 -1.18 0.00 0.00 61.69 61.19 1xg1 s THR 18 Cb -0.11 -3.79 0.24 0.00 1.34 0.00 0.00 72.50 70.18 1xg1 s THR 18 CO 0.06 -0.95 1.90 1.62 -0.54 0.00 0.00 174.62 176.70 1xg1 h VAL 19 N -0.19 1.16 -0.24 2.29 3.04 -1.99 -1.17 116.25 119.15 1xg1 h VAL 19 Ca -0.45 -0.41 -0.01 0.00 -1.01 0.00 0.00 66.70 64.82 1xg1 h VAL 19 Cb 1.21 -0.13 -0.01 0.00 -2.01 0.00 0.00 31.29 30.34 1xg1 h VAL 19 CO 0.62 0.22 0.12 -0.08 -1.01 0.00 0.00 177.57 177.44 1xg1 h GLU 20 N 1.19 0.34 -0.48 4.17 4.57 -1.99 -0.71 114.58 121.66 1xg1 h GLU 20 Ca 0.37 -0.04 -0.05 0.00 -1.18 0.00 0.00 59.36 58.46 1xg1 h GLU 20 Cb -0.00 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.50 1xg1 h GLU 20 CO -0.12 0.32 0.10 0.93 -1.18 0.00 0.00 179.01 179.07 1xg1 h GLU 21 N 0.27 0.74 -0.32 1.92 5.08 -1.87 -2.32 114.58 118.08 1xg1 h GLU 21 Ca 0.08 -0.15 -0.11 0.00 -1.00 0.00 0.00 59.36 58.19 1xg1 h GLU 21 Cb 0.09 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 1xg1 h GLU 21 CO -0.01 0.68 -0.24 0.77 -1.00 0.00 0.00 179.01 179.21 1xg1 h SER 22 N 0.71 0.63 -0.21 1.42 0.02 -0.90 -2.80 113.55 112.42 1xg1 h SER 22 Ca 0.16 -0.22 -0.08 0.00 -0.84 0.00 0.00 61.79 60.81 1xg1 h SER 22 Cb 0.29 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.64 1xg1 h SER 22 CO 0.00 0.86 -0.10 -0.33 -1.14 0.00 0.00 176.83 176.12 1xg1 h GLU 23 N 0.55 0.59 -0.28 3.45 4.39 -0.60 -2.93 114.58 119.74 1xg1 h GLU 23 Ca 0.08 -0.17 -0.01 0.00 0.34 0.00 0.00 59.36 59.60 1xg1 h GLU 23 Cb 0.70 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.28 1xg1 h GLU 23 CO 0.05 0.68 0.14 -1.49 -1.16 0.00 0.00 179.01 177.24 1xg1 h TRP 24 N 0.54 0.41 -0.72 4.33 6.55 -1.20 -1.50 115.95 124.37 1xg1 h TRP 24 Ca 0.10 -0.02 -0.00 0.00 0.95 0.00 0.00 58.89 59.92 1xg1 h TRP 24 Cb 0.50 -0.13 -0.04 0.00 -0.86 0.00 0.00 29.16 28.64 1xg1 h TRP 24 CO 0.02 0.36 0.43 -0.39 -1.05 0.00 0.00 178.44 177.81 1xg1 h VAL 25 N 0.33 1.20 -0.24 1.49 -1.51 -1.43 0.31 116.25 116.40 1xg1 h VAL 25 Ca 0.10 -0.45 -0.04 0.00 -1.23 0.00 0.00 66.70 65.09 1xg1 h VAL 25 Cb 0.10 0.19 -0.01 0.00 -2.13 0.00 0.00 31.29 29.45 1xg1 h VAL 25 CO -0.01 0.21 0.00 0.50 -1.23 0.00 0.00 177.57 177.04 1xg1 h LYS 26 N 0.99 0.42 -0.31 5.19 3.64 -1.31 -2.71 116.57 122.48 1xg1 h LYS 26 Ca 0.26 -0.13 -0.16 0.00 -1.27 0.00 0.00 60.65 59.34 1xg1 h LYS 26 Cb -0.04 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.74 1xg1 h LYS 26 CO -0.05 0.60 -0.44 0.00 -2.27 0.00 0.00 179.45 177.29 1xg1 h ALA 27 N 0.81 0.63 -0.70 5.00 0.00 -0.92 -3.12 119.26 120.96 1xg1 h ALA 27 Ca 0.07 -0.47 0.05 0.00 0.00 0.00 0.00 54.91 54.56 1xg1 h ALA 27 Cb 0.41 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 1xg1 h ALA 27 CO 0.01 0.67 0.46 0.78 0.00 0.00 0.00 179.25 181.18 1xg1 h GLY 28 N 0.86 0.93 1.39 0.00 0.00 -0.32 0.46 103.07 106.38 1xg1 h GLY 28 Ca 0.04 -0.30 -0.03 0.00 0.00 0.00 0.00 47.33 47.04 1xg1 h GLY 28 CO 0.10 0.24 0.23 -2.08 0.00 0.00 0.00 176.54 175.03 1xg1 h VAL 29 N 0.76 1.20 0.02 4.60 2.07 -1.42 0.51 116.25 124.00 1xg1 h VAL 29 Ca 0.29 -0.60 -0.06 0.00 0.82 0.00 0.00 66.70 67.15 1xg1 h VAL 29 Cb 0.19 0.53 -0.00 0.00 -1.52 0.00 0.00 31.29 30.49 1xg1 h VAL 29 CO -0.09 0.24 -0.28 -0.61 0.02 0.00 0.00 177.57 176.85 1xg1 h GLN 30 N 0.79 0.05 -0.32 1.57 4.15 -1.24 -2.32 115.11 117.78 1xg1 h GLN 30 Ca 0.19 -0.08 -0.11 0.00 0.77 0.00 0.00 58.65 59.42 1xg1 h GLN 30 Cb 0.14 0.03 -0.01 0.00 0.21 0.00 0.00 27.48 27.86 1xg1 h GLN 30 CO -0.02 1.04 -0.24 -0.22 -1.93 0.00 0.00 178.83 177.46 1xg1 h LYS 31 N -0.90 0.73 0.00 1.69 3.64 -0.07 -3.39 116.57 118.27 1xg1 h LYS 31 Ca -0.06 -0.35 -0.17 0.00 -1.27 0.00 0.00 60.65 58.79 1xg1 h LYS 31 Cb 1.14 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.93 1xg1 h LYS 31 CO 0.00 0.97 -1.50 0.66 -2.27 0.00 0.00 179.45 177.31 1xg1 n TYR 32 N -4.28 0.00 0.00 1.91 4.02 0.17 -5.05 117.16 113.93 1xg1 n TYR 32 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.86 1xg1 n TYR 32 Cb 0.44 -0.62 0.00 0.00 -0.02 0.00 0.00 39.34 39.14 1xg1 n TYR 32 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1xg1 n GLY 33 N 1.63 4.49 3.65 2.72 0.00 -0.63 -4.94 105.19 112.11 1xg1 n GLY 33 Ca -0.27 -1.08 -0.46 0.00 0.00 0.00 0.00 46.02 44.21 1xg1 n GLY 33 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1xg1 n GLU 34 N -1.14 2.29 0.00 1.61 0.00 -1.18 -1.56 120.64 120.65 1xg1 n GLU 34 Ca 0.00 0.80 0.00 0.00 0.00 0.00 0.00 57.16 57.96 1xg1 n GLU 34 Cb 0.00 -2.84 0.00 0.00 0.00 0.00 0.00 31.44 28.60 1xg1 n GLU 34 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1xg1 n GLY 35 N 4.82 1.10 1.98 8.31 0.00 -1.26 -4.98 105.19 115.17 1xg1 n GLY 35 Ca 0.24 -0.23 -0.12 0.00 0.00 0.00 0.00 46.02 45.91 1xg1 n GLY 35 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1xg1 n ASN 36 N 0.00 5.45 -0.19 1.61 3.02 -0.60 -4.53 115.26 120.01 1xg1 n ASN 36 Ca 0.00 -2.58 -0.03 0.00 -0.03 0.00 0.00 54.58 51.94 1xg1 n ASN 36 Cb 0.00 -1.34 0.17 0.00 -0.61 0.00 0.00 39.78 38.00 1xg1 n ASN 36 CO 0.00 0.00 0.00 -0.50 -2.62 0.00 0.00 177.26 174.14 1xg1 h TRP 37 N 2.65 0.97 -0.19 3.10 4.06 -1.90 -1.74 115.95 122.91 1xg1 h TRP 37 Ca 0.19 -0.06 0.02 0.00 2.06 0.00 0.00 58.89 61.10 1xg1 h TRP 37 Cb 1.32 -0.30 -0.02 0.00 -1.00 0.00 0.00 29.16 29.17 1xg1 h TRP 37 CO 1.48 0.75 0.05 0.00 -3.56 0.00 0.00 178.44 177.16 1xg1 h ALA 38 N 1.33 0.20 -0.68 1.49 0.00 -1.87 0.98 119.26 120.71 1xg1 h ALA 38 Ca 0.22 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.11 1xg1 h ALA 38 Cb 0.19 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1xg1 h ALA 38 CO -0.02 -0.38 0.24 0.00 0.00 0.00 0.00 179.25 179.09 1xg1 h ALA 39 N 1.13 0.89 -0.43 0.00 0.00 -1.88 -1.38 119.26 117.58 1xg1 h ALA 39 Ca 0.08 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 1xg1 h ALA 39 Cb 0.07 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1xg1 h ALA 39 CO -0.10 0.54 0.26 0.82 0.00 0.00 0.00 179.25 180.77 1xg1 h ILE 40 N 0.98 1.13 -0.36 0.00 2.04 -0.84 -0.84 117.51 119.62 1xg1 h ILE 40 Ca 0.22 -0.29 -0.06 0.00 1.00 0.00 0.00 64.86 65.73 1xg1 h ILE 40 Cb 0.26 0.55 -0.02 0.00 -0.74 0.00 0.00 36.82 36.87 1xg1 h ILE 40 CO -0.01 0.13 -0.03 -1.28 0.00 0.00 0.00 178.15 176.96 1xg1 h SER 41 N 0.57 0.55 -0.13 1.72 0.87 -0.59 0.25 113.55 116.78 1xg1 h SER 41 Ca 0.15 -0.12 -0.03 0.00 -1.23 0.00 0.00 61.79 60.56 1xg1 h SER 41 Cb -0.01 -0.14 -0.00 0.00 -0.44 0.00 0.00 62.40 61.80 1xg1 h SER 41 CO -0.03 0.64 -0.04 0.50 -0.53 0.00 0.00 176.83 177.37 1xg1 h LYS 42 N 0.54 0.26 0.01 2.24 1.63 -0.72 -3.36 116.57 117.17 1xg1 h LYS 42 Ca 0.11 -0.10 -0.07 0.00 -0.85 0.00 0.00 60.65 59.74 1xg1 h LYS 42 Cb 0.40 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 32.01 1xg1 h LYS 42 CO 0.02 0.56 -0.37 -0.91 -3.45 0.00 0.00 179.45 175.30 1xg1 h ASN 43 N -0.06 0.04 -3.93 4.20 2.35 -1.07 -3.47 115.58 113.66 1xg1 h ASN 43 Ca 0.03 -0.89 -0.51 0.00 -0.55 0.00 0.00 56.30 54.39 1xg1 h ASN 43 Cb 0.47 -0.01 0.05 0.00 0.05 0.00 0.00 38.32 38.88 1xg1 h ASN 43 CO 0.01 1.15 0.52 -0.31 -1.65 0.00 0.00 177.43 177.15 1xg1 s TYR 44 N -2.27 3.09 0.00 1.19 1.51 0.86 -4.88 117.35 116.84 1xg1 s TYR 44 Ca -0.21 1.54 -0.02 0.00 -1.01 0.00 0.00 57.07 57.38 1xg1 s TYR 44 Cb -0.01 -3.43 -0.08 0.00 -0.11 0.00 0.00 41.96 38.33 1xg1 s TYR 44 CO 0.68 -1.35 1.53 -0.35 -1.11 0.00 0.00 175.55 174.95 1xg1 n PRO 45 N 0.23 0.69 -2.35 -1.71 -0.04 -1.26 -4.72 135.00 125.84 1xg1 n PRO 45 Ca 0.03 -0.31 -0.41 0.00 -0.04 0.00 0.00 63.50 62.77 1xg1 n PRO 45 Cb 0.46 -1.62 -0.03 0.00 -0.04 0.00 0.00 33.50 32.26 1xg1 n PRO 45 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1xg1 s PHE 46 N 2.07 3.40 -0.22 0.54 0.08 -1.26 -5.01 117.98 117.57 1xg1 s PHE 46 Ca 0.21 1.34 -0.04 0.00 0.12 0.00 0.00 56.93 58.56 1xg1 s PHE 46 Cb 0.10 -3.46 -0.01 0.00 -0.57 0.00 0.00 43.02 39.07 1xg1 s PHE 46 CO 0.00 -1.38 -0.02 0.54 -0.10 0.00 0.00 175.22 174.26 1xg1 s VAL 47 N 0.30 3.61 0.00 -0.44 0.11 -1.26 -4.66 120.40 118.06 1xg1 s VAL 47 Ca 0.55 -0.42 0.00 0.00 -2.93 0.00 0.00 61.98 59.19 1xg1 s VAL 47 Cb -0.33 -2.65 0.00 0.00 -1.53 0.00 0.00 36.38 31.88 1xg1 s VAL 47 CO 0.35 0.41 0.00 -0.46 -3.33 0.00 0.00 175.10 172.07 1xg1 n ASN 48 N 4.68 0.00 -4.65 3.54 0.23 -1.26 -4.90 115.26 112.91 1xg1 n ASN 48 Ca -0.18 0.00 -0.42 0.00 -0.53 0.00 0.00 54.58 53.45 1xg1 n ASN 48 Cb 0.51 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 38.18 1xg1 n ASN 48 CO 0.00 0.00 0.00 -0.13 -0.93 0.00 0.00 177.26 176.20 1xg1 s ARG 49 N 0.00 3.95 0.74 -3.83 3.00 -1.26 -4.98 118.95 116.58 1xg1 s ARG 49 Ca 0.00 2.40 -0.11 0.00 0.00 0.00 0.00 55.73 58.02 1xg1 s ARG 49 Cb 0.00 -4.17 0.05 0.00 0.00 0.00 0.00 34.95 30.83 1xg1 s ARG 49 CO 0.00 -1.16 1.11 0.95 0.00 0.00 0.00 175.30 176.20 1xg1 s THR 50 N 5.11 2.75 0.28 0.02 -4.23 -1.26 -4.89 115.64 113.42 1xg1 s THR 50 Ca 0.87 0.17 -0.03 0.00 -1.18 0.00 0.00 61.69 61.52 1xg1 s THR 50 Cb -0.39 -3.23 0.24 0.00 1.34 0.00 0.00 72.50 70.46 1xg1 s THR 50 CO 0.38 -0.29 1.93 0.00 -0.54 0.00 0.00 174.62 176.10 1xg1 h ALA 51 N -0.78 1.33 -0.56 3.99 0.00 -1.94 -0.75 119.26 120.55 1xg1 h ALA 51 Ca -0.45 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.32 1xg1 h ALA 51 Cb 1.29 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.72 1xg1 h ALA 51 CO 0.64 0.58 0.17 0.28 0.00 0.00 0.00 179.25 180.93 1xg1 h VAL 52 N 1.13 1.22 -0.65 0.00 2.07 -1.93 0.31 116.25 118.41 1xg1 h VAL 52 Ca 0.30 -0.75 -0.05 0.00 0.82 0.00 0.00 66.70 67.02 1xg1 h VAL 52 Cb -0.05 0.60 -0.03 0.00 -1.52 0.00 0.00 31.29 30.30 1xg1 h VAL 52 CO -0.06 0.29 0.19 0.24 0.02 0.00 0.00 177.57 178.25 1xg1 h MET 53 N 0.82 1.01 -0.33 1.57 2.07 -1.57 0.16 114.93 118.65 1xg1 h MET 53 Ca 0.19 -0.22 -0.04 0.00 -2.07 0.00 0.00 59.70 57.55 1xg1 h MET 53 Cb 0.24 -0.14 -0.01 0.00 -1.87 0.00 0.00 31.60 29.81 1xg1 h MET 53 CO -0.01 0.89 0.05 0.82 1.07 0.00 0.00 176.91 179.73 1xg1 h ILE 54 N 0.94 1.24 -0.20 -1.22 2.04 -0.28 0.49 117.51 120.52 1xg1 h ILE 54 Ca 0.21 -0.85 0.03 0.00 1.00 0.00 0.00 64.86 65.25 1xg1 h ILE 54 Cb 0.31 1.15 -0.03 0.00 -0.74 0.00 0.00 36.82 37.51 1xg1 h ILE 54 CO -0.00 0.28 -0.01 0.50 0.00 0.00 0.00 178.15 178.91 1xg1 h LYS 55 N 0.39 0.04 -0.40 2.37 3.64 -0.09 0.17 116.57 122.69 1xg1 h LYS 55 Ca 0.10 -0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.45 1xg1 h LYS 55 Cb 0.37 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.16 1xg1 h LYS 55 CO 0.01 0.03 0.15 0.22 -2.27 0.00 0.00 179.45 177.59 1xg1 h ASP 56 N 0.04 0.57 -0.83 4.20 3.58 -0.51 -2.98 116.42 120.49 1xg1 h ASP 56 Ca 0.09 -0.18 -0.00 0.00 0.42 0.00 0.00 57.03 57.36 1xg1 h ASP 56 Cb 0.13 -0.15 -0.04 0.00 1.72 0.00 0.00 39.33 40.99 1xg1 h ASP 56 CO -0.17 0.59 0.52 -0.09 -2.88 0.00 0.00 179.24 177.21 1xg1 h ARG 57 N 0.51 1.12 -0.71 0.28 9.65 0.54 -2.25 114.38 123.53 1xg1 h ARG 57 Ca 0.13 -0.09 0.03 0.00 -1.10 0.00 0.00 59.98 58.95 1xg1 h ARG 57 Cb 0.21 -0.24 -0.04 0.00 -1.39 0.00 0.00 29.97 28.51 1xg1 h ARG 57 CO -0.01 0.77 0.45 2.35 2.80 0.00 0.00 179.97 186.33 1xg1 h TRP 58 N 1.15 0.84 -0.08 2.20 -0.00 -0.52 0.11 115.95 119.65 1xg1 h TRP 58 Ca 0.30 0.02 0.00 0.00 -0.00 0.00 0.00 58.89 59.22 1xg1 h TRP 58 Cb -0.08 -0.28 -0.00 0.00 -0.00 0.00 0.00 29.16 28.80 1xg1 h TRP 58 CO 0.00 0.49 0.06 0.00 -0.00 0.00 0.00 178.44 178.98 1xg1 h ARG 59 N 0.88 0.11 -0.51 2.65 -0.00 -1.39 -2.54 114.38 113.58 1xg1 h ARG 59 Ca 0.28 -0.01 -0.02 0.00 -0.50 0.00 0.00 59.98 59.73 1xg1 h ARG 59 Cb 0.00 -0.02 -0.03 0.00 0.00 0.00 0.00 29.97 29.92 1xg1 h ARG 59 CO -0.10 0.08 0.23 1.79 0.00 0.00 0.00 179.97 181.97 1xg1 h THR 60 N 0.11 1.18 -0.97 2.04 1.35 -0.93 -2.28 112.91 113.42 1xg1 h THR 60 Ca 0.03 -0.51 0.07 0.00 -0.55 0.00 0.00 66.41 65.45 1xg1 h THR 60 Cb -0.01 0.54 -0.07 0.00 -1.73 0.00 0.00 68.15 66.88 1xg1 h THR 60 CO -0.01 0.21 0.62 0.24 -0.25 0.00 0.00 175.52 176.33 1xg1 h MET 61 N 0.72 1.08 -0.41 4.72 2.86 -0.37 0.21 114.93 123.74 1xg1 h MET 61 Ca 0.18 -0.06 -0.04 0.00 -2.06 0.00 0.00 59.70 57.72 1xg1 h MET 61 Cb 0.10 -0.24 -0.02 0.00 0.06 0.00 0.00 31.60 31.50 1xg1 h MET 61 CO -0.02 0.71 0.11 0.87 1.06 0.00 0.00 176.91 179.64 1xg1 h LYS 62 N 1.11 0.65 -0.85 1.72 1.57 -1.19 -0.79 116.57 118.79 1xg1 h LYS 62 Ca 0.42 -0.15 0.02 0.00 -1.87 0.00 0.00 60.65 59.07 1xg1 h LYS 62 Cb 0.19 -0.09 -0.05 0.00 0.08 0.00 0.00 32.23 32.37 1xg1 h LYS 62 CO -0.18 0.67 0.56 -0.09 -0.57 0.00 0.00 179.45 179.83 1xg1 h ARG 63 N 0.52 1.07 0.00 3.15 2.43 -0.94 -0.43 114.38 120.18 1xg1 h ARG 63 Ca 0.13 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 1xg1 h ARG 63 Cb 0.30 -0.24 0.00 0.00 -0.42 0.00 0.00 29.97 29.61 1xg1 h ARG 63 CO 0.00 0.71 0.00 1.28 -1.51 0.00 0.00 179.97 180.45 1xg1 n LEU 64 N -4.53 0.00 -1.45 3.80 4.77 -0.05 -4.88 117.00 114.66 1xg1 n LEU 64 Ca 0.10 0.30 -0.05 0.00 -0.03 0.00 0.00 56.01 56.33 1xg1 n LEU 64 Cb 0.06 -0.30 0.02 0.00 -2.33 0.00 0.00 43.42 40.87 1xg1 n LEU 64 CO 0.35 -0.11 0.04 0.61 -1.33 0.00 0.00 177.39 176.95 1xg1 n GLY 65 N 0.35 0.39 2.51 -0.72 0.00 -0.17 -5.00 105.19 102.56 1xg1 n GLY 65 Ca 0.09 -0.39 -0.19 0.00 0.00 0.00 0.00 46.02 45.53 1xg1 n GLY 65 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1xg1 n MET 66 N -1.70 1.89 0.00 1.61 2.00 -0.34 -5.03 117.12 115.55 1xg1 n MET 66 Ca -0.04 -3.87 0.00 0.00 0.00 0.00 0.00 57.70 53.79 1xg1 n MET 66 Cb 0.53 -1.81 0.00 0.00 0.00 0.00 0.00 33.22 31.94 1xg1 n MET 66 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 175.97 176.24