#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xg1 h SER 2 N 0.00 0.31 0.00 1.61 4.64 -2.10 -3.37 113.55 114.63 1xg1 h SER 2 Ca 0.00 0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 1xg1 h SER 2 Cb 0.00 0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 1xg1 h SER 2 CO 0.00 0.17 -0.46 1.41 -0.87 0.00 0.00 176.83 177.08 1xg1 n HIS 3 N -4.95 -0.06 0.00 4.77 8.25 -1.26 -5.12 115.22 116.85 1xg1 n HIS 3 Ca 0.10 0.01 0.00 0.00 -0.26 0.00 0.00 57.72 57.57 1xg1 n HIS 3 Cb 0.29 0.02 0.00 0.00 1.12 0.00 0.00 29.99 31.42 1xg1 n HIS 3 CO 0.00 0.00 0.00 -0.12 0.64 0.00 0.00 176.34 176.86 1xg1 n MET 4 N -3.25 0.00 -3.98 -0.41 0.00 -1.26 -5.06 117.12 103.16 1xg1 n MET 4 Ca 0.00 0.00 -0.26 0.00 -0.00 0.00 0.00 57.70 57.44 1xg1 n MET 4 Cb 0.23 0.00 -0.03 0.00 0.00 0.00 0.00 33.22 33.42 1xg1 n MET 4 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 175.97 174.06 1xg1 n GLU 5 N 0.00 -3.08 -0.63 2.12 2.13 -1.26 -4.59 120.64 115.32 1xg1 n GLU 5 Ca 0.00 0.38 -0.04 0.00 0.66 0.00 0.00 57.16 58.16 1xg1 n GLU 5 Cb 0.00 -4.44 -0.03 0.00 0.27 0.00 0.00 31.44 27.24 1xg1 n GLU 5 CO 0.00 0.00 0.00 -0.40 -0.41 0.00 0.00 177.13 176.32 1xg1 n ASP 6 N -2.98 5.42 0.11 4.31 5.75 -1.26 -4.11 116.55 123.80 1xg1 n ASP 6 Ca -0.31 -2.48 0.12 0.00 -0.01 0.00 0.00 54.79 52.11 1xg1 n ASP 6 Cb 0.69 -1.18 0.27 0.00 -1.03 0.00 0.00 41.12 39.87 1xg1 n ASP 6 CO 0.00 0.00 0.00 -1.28 -0.11 0.00 0.00 177.20 175.81 1xg1 h SER 7 N 1.43 0.00 -6.29 -1.12 0.87 -2.07 -3.47 113.55 102.90 1xg1 h SER 7 Ca 0.06 -0.06 -0.46 0.00 -1.23 0.00 0.00 61.79 60.10 1xg1 h SER 7 Cb 1.09 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.04 1xg1 h SER 7 CO 0.10 0.03 -0.84 0.35 -0.53 0.00 0.00 176.83 175.94 1xg1 n THR 8 N -2.41 -3.51 -2.01 2.23 -2.24 -1.26 -4.88 114.28 100.20 1xg1 n THR 8 Ca 0.04 -0.41 -0.41 0.00 -2.27 0.00 0.00 64.05 60.99 1xg1 n THR 8 Cb 0.46 -3.17 -0.02 0.00 -2.10 0.00 0.00 70.33 65.49 1xg1 n THR 8 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1xg1 s THR 9 N -3.71 2.68 -1.17 4.28 -1.32 -1.26 -4.89 115.64 110.25 1xg1 s THR 9 Ca 0.12 0.55 -0.13 0.00 -1.21 0.00 0.00 61.69 61.03 1xg1 s THR 9 Cb -0.06 -3.35 -0.07 0.00 -1.51 0.00 0.00 72.50 67.51 1xg1 s THR 9 CO 0.85 0.08 2.29 -0.46 -2.21 0.00 0.00 174.62 175.16 1xg1 n ASN 10 N 2.65 4.96 -4.68 8.08 2.04 -1.26 -4.94 115.26 122.11 1xg1 n ASN 10 Ca 0.08 -2.58 -0.46 0.00 -0.44 0.00 0.00 54.58 51.18 1xg1 n ASN 10 Cb 0.40 -1.33 -0.04 0.00 -2.53 0.00 0.00 39.78 36.28 1xg1 n ASN 10 CO 0.00 0.00 0.00 -0.38 -0.44 0.00 0.00 177.26 176.44 1xg1 n ILE 11 N 4.71 0.08 0.00 1.53 5.41 -1.26 -1.38 119.36 128.46 1xg1 n ILE 11 Ca 0.55 -0.01 0.00 0.00 1.00 0.00 0.00 62.75 64.29 1xg1 n ILE 11 Cb 0.28 -1.65 0.00 0.00 -0.71 0.00 0.00 39.64 37.56 1xg1 n ILE 11 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 176.55 176.96 1xg1 n THR 12 N 3.72 0.00 -4.51 1.39 -1.04 -1.26 -4.90 114.28 107.68 1xg1 n THR 12 Ca 0.17 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.18 1xg1 n THR 12 Cb 0.30 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.81 1xg1 n THR 12 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1xg1 n LYS 13 N -0.18 0.00 -1.01 -2.82 5.02 -0.48 -1.37 118.16 117.33 1xg1 n LYS 13 Ca 0.00 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.19 1xg1 n LYS 13 Cb 0.00 0.00 0.25 0.00 -0.02 0.00 0.00 35.03 35.26 1xg1 n LYS 13 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 1xg1 n LYS 14 N 13.17 2.93 -0.83 1.97 2.85 -1.26 -4.40 118.16 132.58 1xg1 n LYS 14 Ca 0.00 -3.07 -0.10 0.00 -1.05 0.00 0.00 58.31 54.09 1xg1 n LYS 14 Cb 0.00 -2.12 0.19 0.00 -0.65 0.00 0.00 35.03 32.45 1xg1 n LYS 14 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 177.40 178.39 1xg1 n GLN 15 N -0.64 2.57 -2.47 -1.58 6.02 -0.47 -4.92 117.38 115.89 1xg1 n GLN 15 Ca 0.44 -2.27 -0.42 0.00 -0.01 0.00 0.00 57.00 54.74 1xg1 n GLN 15 Cb 1.39 -1.94 -0.03 0.00 1.02 0.00 0.00 30.24 30.68 1xg1 n GLN 15 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 1xg1 s LYS 16 N -2.40 4.38 -0.12 -1.09 2.47 -1.26 -5.01 119.74 116.70 1xg1 s LYS 16 Ca 0.42 1.67 -0.06 0.00 -1.56 0.00 0.00 55.97 56.44 1xg1 s LYS 16 Cb 0.34 -3.52 -0.04 0.00 -1.46 0.00 0.00 37.83 33.15 1xg1 s LYS 16 CO 0.09 -0.39 0.08 -1.58 0.16 0.00 0.00 175.35 173.71 1xg1 s TRP 17 N 1.97 3.39 0.54 4.03 0.52 -1.26 -5.10 118.94 123.03 1xg1 s TRP 17 Ca 0.56 0.34 -0.16 0.00 0.02 0.00 0.00 56.10 56.86 1xg1 s TRP 17 Cb -0.25 -1.92 -0.07 0.00 -1.15 0.00 0.00 33.47 30.08 1xg1 s TRP 17 CO 0.23 0.54 1.00 0.95 0.02 0.00 0.00 176.95 179.69 1xg1 s THR 18 N -0.69 4.47 0.42 2.01 -4.23 -1.26 -4.90 115.64 111.46 1xg1 s THR 18 Ca 0.12 1.12 0.10 0.00 -1.18 0.00 0.00 61.69 61.86 1xg1 s THR 18 Cb -0.12 -3.70 0.29 0.00 1.34 0.00 0.00 72.50 70.32 1xg1 s THR 18 CO 0.03 -0.74 2.03 1.62 -0.54 0.00 0.00 174.62 177.01 1xg1 h VAL 19 N 0.67 1.01 -0.06 2.29 3.04 -1.98 -0.96 116.25 120.26 1xg1 h VAL 19 Ca -0.46 -0.17 -0.00 0.00 -1.01 0.00 0.00 66.70 65.06 1xg1 h VAL 19 Cb 1.19 0.48 -0.00 0.00 -2.01 0.00 0.00 31.29 30.95 1xg1 h VAL 19 CO 0.61 0.09 0.03 -0.08 -1.01 0.00 0.00 177.57 177.20 1xg1 h GLU 20 N 0.48 0.08 -0.75 4.17 4.81 -2.00 -0.83 114.58 120.56 1xg1 h GLU 20 Ca 0.20 -0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.36 1xg1 h GLU 20 Cb 0.20 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.54 1xg1 h GLU 20 CO -0.05 0.19 0.24 0.93 -0.73 0.00 0.00 179.01 179.59 1xg1 h GLU 21 N -0.04 1.16 -0.46 1.92 5.08 -1.80 -2.64 114.58 117.80 1xg1 h GLU 21 Ca 0.02 -0.25 -0.04 0.00 -1.00 0.00 0.00 59.36 58.09 1xg1 h GLU 21 Cb 0.14 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 1xg1 h GLU 21 CO -0.00 0.98 0.12 0.77 -1.00 0.00 0.00 179.01 179.88 1xg1 h SER 22 N 1.11 0.62 0.05 1.42 0.02 -1.02 -2.16 113.55 113.59 1xg1 h SER 22 Ca 0.24 -0.09 -0.06 0.00 -0.84 0.00 0.00 61.79 61.03 1xg1 h SER 22 Cb 0.30 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.67 1xg1 h SER 22 CO -0.01 0.61 -0.19 -0.33 -1.14 0.00 0.00 176.83 175.77 1xg1 h GLU 23 N 0.66 0.27 -0.23 3.45 4.39 -0.78 -2.31 114.58 120.03 1xg1 h GLU 23 Ca 0.15 -0.08 -0.04 0.00 0.34 0.00 0.00 59.36 59.73 1xg1 h GLU 23 Cb 0.23 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.84 1xg1 h GLU 23 CO -0.01 0.46 -0.02 -1.49 -1.16 0.00 0.00 179.01 176.79 1xg1 h TRP 24 N 0.25 0.47 -0.66 4.33 6.55 -1.26 -1.65 115.95 123.97 1xg1 h TRP 24 Ca 0.05 -0.09 -0.03 0.00 0.95 0.00 0.00 58.89 59.76 1xg1 h TRP 24 Cb 0.48 -0.12 -0.03 0.00 -0.86 0.00 0.00 29.16 28.63 1xg1 h TRP 24 CO 0.01 0.63 0.28 -0.39 -1.05 0.00 0.00 178.44 177.92 1xg1 h VAL 25 N 0.18 1.22 -0.31 1.49 -1.51 -1.34 0.33 116.25 116.31 1xg1 h VAL 25 Ca 0.06 -0.68 -0.02 0.00 -1.23 0.00 0.00 66.70 64.84 1xg1 h VAL 25 Cb 0.46 0.41 -0.01 0.00 -2.13 0.00 0.00 31.29 30.01 1xg1 h VAL 25 CO 0.02 0.28 0.12 0.50 -1.23 0.00 0.00 177.57 177.26 1xg1 h LYS 26 N 0.95 0.46 -0.16 5.19 3.64 -1.26 -1.78 116.57 123.61 1xg1 h LYS 26 Ca 0.23 -0.08 -0.22 0.00 -1.27 0.00 0.00 60.65 59.31 1xg1 h LYS 26 Cb 0.15 -0.08 0.01 0.00 -0.41 0.00 0.00 32.23 31.91 1xg1 h LYS 26 CO -0.02 0.47 -0.75 0.00 -2.27 0.00 0.00 179.45 176.88 1xg1 h ALA 27 N 0.97 0.31 -0.85 5.00 0.00 -1.01 -3.22 119.26 120.46 1xg1 h ALA 27 Ca 0.10 -0.59 0.02 0.00 0.00 0.00 0.00 54.91 54.44 1xg1 h ALA 27 Cb 0.18 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.91 1xg1 h ALA 27 CO -0.01 0.66 0.55 0.78 0.00 0.00 0.00 179.25 181.23 1xg1 h GLY 28 N 0.52 1.21 1.03 0.00 0.00 -0.26 0.25 103.07 105.82 1xg1 h GLY 28 Ca -0.05 -0.43 -0.03 0.00 0.00 0.00 0.00 47.33 46.82 1xg1 h GLY 28 CO 0.16 0.40 0.42 -2.08 0.00 0.00 0.00 176.54 175.43 1xg1 h VAL 29 N 1.11 1.26 -0.08 4.60 2.07 -1.38 0.63 116.25 124.46 1xg1 h VAL 29 Ca 0.32 -0.70 -0.12 0.00 0.82 0.00 0.00 66.70 67.02 1xg1 h VAL 29 Cb -0.07 0.17 0.01 0.00 -1.52 0.00 0.00 31.29 29.87 1xg1 h VAL 29 CO -0.09 0.30 -0.40 -0.61 0.02 0.00 0.00 177.57 176.79 1xg1 h GLN 30 N 1.19 0.41 0.01 1.57 -0.00 -1.45 -1.81 115.11 115.03 1xg1 h GLN 30 Ca 0.29 -0.34 -0.00 0.00 -0.00 0.00 0.00 58.65 58.60 1xg1 h GLN 30 Cb 0.10 0.07 0.00 0.00 0.00 0.00 0.00 27.48 27.65 1xg1 h GLN 30 CO -0.04 0.98 -0.00 -0.22 0.00 0.00 0.00 178.83 179.54 1xg1 h LYS 31 N -0.06 -0.01 0.00 1.69 3.64 -0.38 -3.40 116.57 118.06 1xg1 h LYS 31 Ca -0.03 0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.23 1xg1 h LYS 31 Cb 1.06 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.86 1xg1 h LYS 31 CO 0.08 0.74 -0.75 1.88 -2.27 0.00 0.00 179.45 179.13 1xg1 h TYR 32 N -0.78 0.00 0.00 1.91 -1.99 0.09 -3.51 116.97 112.69 1xg1 h TYR 32 Ca -0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1xg1 h TYR 32 Cb 0.76 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.49 1xg1 h TYR 32 CO 0.19 0.93 0.00 0.41 -0.00 0.00 0.00 178.16 179.70 1xg1 n GLY 33 N 1.54 4.17 3.68 3.88 0.00 -0.69 -4.96 105.19 112.81 1xg1 n GLY 33 Ca -0.20 -1.07 -0.48 0.00 0.00 0.00 0.00 46.02 44.28 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 -0.33 2.22 0.00 1.61 2.13 -1.13 -2.04 120.64 123.10 1xg1 n GLU 34 Ca 0.00 0.81 0.00 0.00 0.66 0.00 0.00 57.16 58.63 1xg1 n GLU 34 Cb 0.00 -2.65 0.00 0.00 0.27 0.00 0.00 31.44 29.06 1xg1 n GLU 34 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1xg1 n GLY 35 N 4.28 1.68 2.13 8.31 0.00 -1.26 -4.99 105.19 115.34 1xg1 n GLY 35 Ca 0.22 -0.44 -0.23 0.00 0.00 0.00 0.00 46.02 45.57 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 6.64 -0.10 1.61 3.02 -0.86 -4.57 115.26 121.00 1xg1 n ASN 36 Ca 0.00 -2.53 -0.03 0.00 -0.03 0.00 0.00 54.58 51.99 1xg1 n ASN 36 Cb 0.00 -1.47 0.19 0.00 -0.61 0.00 0.00 39.78 37.89 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 3.78 0.79 -0.77 3.10 4.06 -1.90 -1.59 115.95 123.43 1xg1 h TRP 37 Ca 0.46 -0.09 -0.03 0.00 2.06 0.00 0.00 58.89 61.28 1xg1 h TRP 37 Cb 1.03 -0.22 -0.03 0.00 -1.00 0.00 0.00 29.16 28.93 1xg1 h TRP 37 CO 1.82 0.72 0.34 0.00 -3.56 0.00 0.00 178.44 177.76 1xg1 h ALA 38 N 1.33 0.99 -0.25 1.49 0.00 -1.88 -0.08 119.26 120.86 1xg1 h ALA 38 Ca 0.15 -0.17 -0.16 0.00 0.00 0.00 0.00 54.91 54.73 1xg1 h ALA 38 Cb 0.38 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1xg1 h ALA 38 CO 0.01 0.58 -0.50 0.00 0.00 0.00 0.00 179.25 179.34 1xg1 h ALA 39 N 1.17 0.64 -0.21 0.00 0.00 -1.87 -2.24 119.26 116.76 1xg1 h ALA 39 Ca 0.26 -0.49 -0.04 0.00 0.00 0.00 0.00 54.91 54.64 1xg1 h ALA 39 Cb 0.16 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1xg1 h ALA 39 CO -0.03 0.68 -0.01 0.82 0.00 0.00 0.00 179.25 180.71 1xg1 h ILE 40 N 0.55 1.26 -0.62 0.00 2.04 -0.95 -1.73 117.51 118.07 1xg1 h ILE 40 Ca 0.02 -0.92 -0.04 0.00 1.00 0.00 0.00 64.86 64.92 1xg1 h ILE 40 Cb 1.07 1.46 -0.03 0.00 -0.74 0.00 0.00 36.82 38.58 1xg1 h ILE 40 CO 0.10 0.28 0.23 0.77 0.00 0.00 0.00 178.15 179.54 1xg1 h SER 41 N 0.12 0.84 0.19 1.72 4.64 -1.04 0.16 113.55 120.19 1xg1 h SER 41 Ca 0.06 -0.12 -0.01 0.00 -0.47 0.00 0.00 61.79 61.25 1xg1 h SER 41 Cb 0.42 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 62.30 1xg1 h SER 41 CO 0.01 0.76 -0.09 0.50 -0.87 0.00 0.00 176.83 177.14 1xg1 h LYS 42 N 0.90 -0.25 0.02 4.77 3.64 -1.27 -3.36 116.57 121.02 1xg1 h LYS 42 Ca 0.21 0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 59.52 1xg1 h LYS 42 Cb 0.20 0.06 0.01 0.00 -0.41 0.00 0.00 32.23 32.08 1xg1 h LYS 42 CO -0.02 0.04 -0.33 -0.91 -2.27 0.00 0.00 179.45 175.97 1xg1 h ASN 43 N -0.55 0.27 -4.06 4.20 2.35 -1.25 -3.46 115.58 113.07 1xg1 h ASN 43 Ca -0.03 -0.82 -0.49 0.00 -0.55 0.00 0.00 56.30 54.41 1xg1 h ASN 43 Cb 0.41 -0.08 0.06 0.00 0.05 0.00 0.00 38.32 38.76 1xg1 h ASN 43 CO 0.04 1.05 0.43 -0.31 -1.65 0.00 0.00 177.43 177.00 1xg1 s TYR 44 N -2.96 2.81 0.00 1.19 1.51 0.56 -4.88 117.35 115.59 1xg1 s TYR 44 Ca -0.16 1.56 -0.01 0.00 -1.01 0.00 0.00 57.07 57.45 1xg1 s TYR 44 Cb 0.01 -3.25 -0.03 0.00 -0.11 0.00 0.00 41.96 38.58 1xg1 s TYR 44 CO 0.76 -1.34 1.09 -0.35 -1.11 0.00 0.00 175.55 174.59 1xg1 n PRO 45 N -1.01 0.52 -2.44 -1.71 -0.04 -1.26 -4.75 135.00 124.31 1xg1 n PRO 45 Ca 0.10 -0.13 -0.42 0.00 -0.04 0.00 0.00 63.50 63.01 1xg1 n PRO 45 Cb 0.51 -1.43 -0.03 0.00 -0.04 0.00 0.00 33.50 32.51 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 1.54 3.31 -0.10 0.54 0.08 -1.26 -5.02 117.98 117.07 1xg1 s PHE 46 Ca 0.08 1.25 0.02 0.00 0.12 0.00 0.00 56.93 58.40 1xg1 s PHE 46 Cb 0.04 -3.42 -0.01 0.00 -0.57 0.00 0.00 43.02 39.05 1xg1 s PHE 46 CO 0.00 -1.32 -0.16 0.54 -0.10 0.00 0.00 175.22 174.18 1xg1 s VAL 47 N 1.61 2.78 0.00 -0.44 0.11 -1.26 -4.67 120.40 118.53 1xg1 s VAL 47 Ca 0.58 -0.78 0.00 0.00 -2.93 0.00 0.00 61.98 58.85 1xg1 s VAL 47 Cb -0.27 -2.12 0.00 0.00 -1.53 0.00 0.00 36.38 32.46 1xg1 s VAL 47 CO 0.26 0.55 0.00 -0.46 -3.33 0.00 0.00 175.10 172.12 1xg1 n ASN 48 N 3.20 0.00 -4.69 3.54 0.23 -1.26 -4.91 115.26 111.38 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 0.53 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 38.20 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 4.25 0.62 -3.83 3.00 -1.26 -5.01 118.95 116.72 1xg1 s ARG 49 Ca 0.00 2.14 -0.03 0.00 0.00 0.00 0.00 55.73 57.85 1xg1 s ARG 49 Cb 0.00 -3.54 0.05 0.00 0.00 0.00 0.00 34.95 31.46 1xg1 s ARG 49 CO 0.00 -0.63 0.89 0.95 0.00 0.00 0.00 175.30 176.51 1xg1 s THR 50 N 2.33 2.51 0.26 0.02 -4.23 -1.26 -4.94 115.64 110.33 1xg1 s THR 50 Ca 0.68 -0.46 -0.04 0.00 -1.18 0.00 0.00 61.69 60.70 1xg1 s THR 50 Cb -0.36 -3.02 0.21 0.00 1.34 0.00 0.00 72.50 70.67 1xg1 s THR 50 CO 0.29 -0.01 1.87 0.00 -0.54 0.00 0.00 174.62 176.23 1xg1 h ALA 51 N -0.25 1.24 -0.66 3.99 0.00 -1.95 -1.71 119.26 119.91 1xg1 h ALA 51 Ca -0.43 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.30 1xg1 h ALA 51 Cb 1.30 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.76 1xg1 h ALA 51 CO 0.56 0.60 0.25 0.28 0.00 0.00 0.00 179.25 180.94 1xg1 h VAL 52 N 1.09 1.23 -0.52 0.00 2.07 -1.94 0.25 116.25 118.43 1xg1 h VAL 52 Ca 0.27 -0.74 -0.02 0.00 0.82 0.00 0.00 66.70 67.03 1xg1 h VAL 52 Cb 0.07 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 30.27 1xg1 h VAL 52 CO -0.04 0.30 0.26 0.24 0.02 0.00 0.00 177.57 178.35 1xg1 h MET 53 N 0.96 0.74 -0.41 1.57 2.07 -1.72 0.20 114.93 118.33 1xg1 h MET 53 Ca 0.22 -0.10 -0.03 0.00 -2.07 0.00 0.00 59.70 57.72 1xg1 h MET 53 Cb 0.20 -0.14 -0.02 0.00 -1.87 0.00 0.00 31.60 29.78 1xg1 h MET 53 CO -0.02 0.60 0.12 0.82 1.07 0.00 0.00 176.91 179.50 1xg1 h ILE 54 N 0.69 1.22 -0.19 -1.22 2.04 -0.65 0.51 117.51 119.92 1xg1 h ILE 54 Ca 0.18 -0.73 0.04 0.00 1.00 0.00 0.00 64.86 65.35 1xg1 h ILE 54 Cb 0.09 0.92 -0.04 0.00 -0.74 0.00 0.00 36.82 37.05 1xg1 h ILE 54 CO -0.03 0.26 -0.06 0.50 0.00 0.00 0.00 178.15 178.82 1xg1 h LYS 55 N 0.52 -0.02 -0.43 2.37 3.64 -0.09 0.22 116.57 122.78 1xg1 h LYS 55 Ca 0.13 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.44 1xg1 h LYS 55 Cb 0.27 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.08 1xg1 h LYS 55 CO -0.00 -0.02 -0.02 0.22 -2.27 0.00 0.00 179.45 177.36 1xg1 h ASP 56 N -0.03 0.76 -0.81 4.20 1.82 -0.42 -3.01 116.42 118.92 1xg1 h ASP 56 Ca 0.09 -0.32 0.00 0.00 -0.39 0.00 0.00 57.03 56.41 1xg1 h ASP 56 Cb 0.17 -0.20 -0.04 0.00 0.68 0.00 0.00 39.33 39.93 1xg1 h ASP 56 CO -0.21 0.90 0.51 -0.09 -1.61 0.00 0.00 179.24 178.75 1xg1 h ARG 57 N 0.60 1.09 -0.52 0.28 9.65 0.55 -1.45 114.38 124.58 1xg1 h ARG 57 Ca 0.12 -0.08 0.00 0.00 -1.10 0.00 0.00 59.98 58.92 1xg1 h ARG 57 Cb 0.52 -0.24 -0.03 0.00 -1.39 0.00 0.00 29.97 28.84 1xg1 h ARG 57 CO 0.03 0.74 0.34 2.35 2.80 0.00 0.00 179.97 186.23 1xg1 h TRP 58 N 1.12 0.67 -0.40 2.20 -0.00 -0.45 0.13 115.95 119.21 1xg1 h TRP 58 Ca 0.30 0.01 0.03 0.00 -0.00 0.00 0.00 58.89 59.23 1xg1 h TRP 58 Cb -0.09 -0.22 -0.03 0.00 -0.00 0.00 0.00 29.16 28.81 1xg1 h TRP 58 CO 0.00 0.44 0.20 0.00 -0.00 0.00 0.00 178.44 179.08 1xg1 h ARG 59 N 0.71 0.39 -0.53 2.65 3.08 -1.26 -0.25 114.38 119.16 1xg1 h ARG 59 Ca 0.19 -0.02 -0.05 0.00 0.07 0.00 0.00 59.98 60.17 1xg1 h ARG 59 Cb -0.06 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 29.88 1xg1 h ARG 59 CO -0.04 0.26 0.12 1.79 -1.07 0.00 0.00 179.97 181.03 1xg1 h THR 60 N 0.40 1.23 -0.42 2.04 1.35 -0.69 -1.05 112.91 115.77 1xg1 h THR 60 Ca 0.17 -0.82 -0.02 0.00 -0.55 0.00 0.00 66.41 65.19 1xg1 h THR 60 Cb 0.08 0.69 -0.02 0.00 -1.73 0.00 0.00 68.15 67.17 1xg1 h THR 60 CO -0.12 0.31 0.19 0.24 -0.25 0.00 0.00 175.52 175.88 1xg1 h MET 61 N 0.79 0.61 -0.91 4.72 2.86 0.05 0.02 114.93 123.07 1xg1 h MET 61 Ca 0.17 -0.09 -0.01 0.00 -2.06 0.00 0.00 59.70 57.71 1xg1 h MET 61 Cb 0.30 -0.11 -0.04 0.00 0.06 0.00 0.00 31.60 31.81 1xg1 h MET 61 CO -0.00 0.53 0.51 0.87 1.06 0.00 0.00 176.91 179.89 1xg1 h LYS 62 N 0.53 1.25 -0.21 1.72 1.57 -0.69 0.25 116.57 121.00 1xg1 h LYS 62 Ca 0.14 -0.14 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 1xg1 h LYS 62 Cb 0.13 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.18 1xg1 h LYS 62 CO -0.02 0.90 0.09 0.00 -0.57 0.00 0.00 179.45 179.85 1xg1 h ARG 63 N 1.26 0.30 0.00 3.15 3.08 -0.74 -1.96 114.38 119.47 1xg1 h ARG 63 Ca 0.32 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.32 1xg1 h ARG 63 Cb 0.00 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.00 1xg1 h ARG 63 CO -0.05 0.35 0.00 1.28 -1.07 0.00 0.00 179.97 180.48 1xg1 n LEU 64 N -4.84 0.03 -0.97 3.04 4.77 -0.05 -4.87 117.00 114.11 1xg1 n LEU 64 Ca -0.04 0.51 -0.07 0.00 -0.03 0.00 0.00 56.01 56.38 1xg1 n LEU 64 Cb 0.12 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 40.71 1xg1 n LEU 64 CO 0.35 -0.20 -0.05 0.61 -1.33 0.00 0.00 177.39 176.76 1xg1 n GLY 65 N 0.35 0.15 2.74 -0.72 0.00 -0.01 -4.94 105.19 102.76 1xg1 n GLY 65 Ca 0.04 -0.54 -0.37 0.00 0.00 0.00 0.00 46.02 45.15 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 -1.76 2.68 0.00 1.61 2.00 0.69 -5.00 117.12 117.34 1xg1 n MET 66 Ca -0.07 -3.30 0.00 0.00 0.00 0.00 0.00 57.70 54.33 1xg1 n MET 66 Cb 0.56 -2.24 0.00 0.00 0.00 0.00 0.00 33.22 31.53 1xg1 n MET 66 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 175.97 176.24