#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xg1 n SER 2 N 0.00 0.76 -0.02 1.61 3.41 -1.26 -4.85 113.62 113.28 1xg1 n SER 2 Ca 0.00 -1.99 -0.19 0.00 -0.26 0.00 0.00 58.87 56.42 1xg1 n SER 2 Cb 0.00 -0.24 -0.14 0.00 -0.26 0.00 0.00 64.21 63.57 1xg1 n SER 2 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1xg1 n HIS 3 N 0.42 1.06 0.00 7.33 8.25 -1.26 -5.02 115.22 126.00 1xg1 n HIS 3 Ca 0.03 0.24 0.00 0.00 -0.26 0.00 0.00 57.72 57.73 1xg1 n HIS 3 Cb 1.08 -1.14 0.00 0.00 1.12 0.00 0.00 29.99 31.04 1xg1 n HIS 3 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 1xg1 n MET 4 N -3.40 0.00 -3.58 -0.41 0.00 -1.26 -5.18 117.12 103.29 1xg1 n MET 4 Ca -0.32 0.00 -0.15 0.00 0.00 0.00 0.00 57.70 57.23 1xg1 n MET 4 Cb 1.04 0.00 -0.06 0.00 0.00 0.00 0.00 33.22 34.20 1xg1 n MET 4 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 175.97 174.14 1xg1 s GLU 5 N 3.58 0.89 0.09 0.03 -1.05 -1.26 -5.06 118.70 115.92 1xg1 s GLU 5 Ca 0.00 0.61 -0.20 0.00 -0.15 0.00 0.00 54.97 55.23 1xg1 s GLU 5 Cb 0.00 0.43 -0.08 0.00 -0.44 0.00 0.00 34.13 34.03 1xg1 s GLU 5 CO 0.00 -0.20 1.62 0.22 0.95 0.00 0.00 175.26 177.85 1xg1 h ASP 6 N 3.95 0.30 0.00 0.83 3.58 -2.03 -3.46 116.42 119.59 1xg1 h ASP 6 Ca -0.27 -0.18 0.00 0.00 0.42 0.00 0.00 57.03 57.00 1xg1 h ASP 6 Cb 1.15 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 42.12 1xg1 h ASP 6 CO 0.21 0.40 0.00 -1.54 -2.88 0.00 0.00 179.24 175.43 1xg1 n SER 7 N -4.80 -0.69 0.00 2.28 3.41 -1.26 -5.08 113.62 107.48 1xg1 n SER 7 Ca -0.04 0.26 0.00 0.00 -0.26 0.00 0.00 58.87 58.83 1xg1 n SER 7 Cb 0.14 0.88 0.00 0.00 -0.26 0.00 0.00 64.21 64.96 1xg1 n SER 7 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1xg1 n THR 8 N -2.58 0.00 0.00 6.66 -1.04 -1.26 -4.80 114.28 111.26 1xg1 n THR 8 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1xg1 n THR 8 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 1xg1 n THR 8 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1xg1 n THR 9 N 0.00 0.00 0.27 12.58 -2.24 -1.26 -4.50 114.28 119.13 1xg1 n THR 9 Ca 0.00 0.00 0.17 0.00 -2.27 0.00 0.00 64.05 61.95 1xg1 n THR 9 Cb 0.00 0.00 0.85 0.00 -2.10 0.00 0.00 70.33 69.08 1xg1 n THR 9 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1xg1 h ASN 10 N 0.00 0.00 0.00 3.42 7.08 -1.94 -1.70 115.58 122.44 1xg1 h ASN 10 Ca 0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 1xg1 h ASN 10 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.24 1xg1 h ASN 10 CO 0.00 0.00 0.00 2.30 -2.08 0.00 0.00 177.43 177.65 1xg1 n ILE 11 N -2.68 0.00 -0.03 6.14 -5.35 -1.26 -3.23 119.36 112.95 1xg1 n ILE 11 Ca -0.01 0.00 -0.21 0.00 -0.27 0.00 0.00 62.75 62.26 1xg1 n ILE 11 Cb 0.10 -0.39 -0.13 0.00 -1.74 0.00 0.00 39.64 37.48 1xg1 n ILE 11 CO 0.00 0.00 0.00 0.41 -1.76 0.00 0.00 176.55 175.20 1xg1 n THR 12 N -0.88 1.71 -3.17 7.28 -1.04 -0.64 -4.88 114.28 112.66 1xg1 n THR 12 Ca 0.18 -0.59 -0.39 0.00 -2.04 0.00 0.00 64.05 61.20 1xg1 n THR 12 Cb 0.08 -1.70 -0.05 0.00 -1.82 0.00 0.00 70.33 66.84 1xg1 n THR 12 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 1xg1 s LYS 13 N -2.54 4.35 -0.06 -2.82 1.02 -1.20 -4.90 119.74 113.60 1xg1 s LYS 13 Ca -0.26 0.76 0.07 0.00 0.02 0.00 0.00 55.97 56.56 1xg1 s LYS 13 Cb 0.07 -3.37 0.14 0.00 -0.52 0.00 0.00 37.83 34.16 1xg1 s LYS 13 CO 0.72 0.29 1.11 0.36 -0.92 0.00 0.00 175.35 176.91 1xg1 n LYS 14 N 3.00 0.25 -2.69 1.68 2.85 -1.26 -4.91 118.16 117.09 1xg1 n LYS 14 Ca -0.06 -1.28 -0.04 0.00 -1.05 0.00 0.00 58.31 55.89 1xg1 n LYS 14 Cb 0.51 0.34 0.12 0.00 -0.65 0.00 0.00 35.03 35.35 1xg1 n LYS 14 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1xg1 n GLN 15 N -0.16 1.32 -2.08 -1.58 0.00 -1.26 -5.13 117.38 108.48 1xg1 n GLN 15 Ca -0.20 -1.53 -0.41 0.00 0.00 0.00 0.00 57.00 54.86 1xg1 n GLN 15 Cb 0.80 0.17 -0.02 0.00 0.00 0.00 0.00 30.24 31.19 1xg1 n GLN 15 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.06 177.21 1xg1 s LYS 16 N -0.01 4.32 -0.04 2.61 1.02 -1.26 -5.02 119.74 121.35 1xg1 s LYS 16 Ca 0.15 2.24 0.05 0.00 0.02 0.00 0.00 55.97 58.42 1xg1 s LYS 16 Cb 0.43 -3.11 -0.01 0.00 -0.52 0.00 0.00 37.83 34.62 1xg1 s LYS 16 CO -0.11 -0.31 -0.19 -1.58 -0.92 0.00 0.00 175.35 172.24 1xg1 s TRP 17 N -0.41 1.79 0.54 3.18 0.52 -1.26 -5.07 118.94 118.22 1xg1 s TRP 17 Ca 0.55 -0.47 -0.17 0.00 0.02 0.00 0.00 56.10 56.03 1xg1 s TRP 17 Cb -0.40 -1.19 -0.07 0.00 -1.15 0.00 0.00 33.47 30.66 1xg1 s TRP 17 CO 0.46 -0.13 1.01 0.95 0.02 0.00 0.00 176.95 179.26 1xg1 s THR 18 N -0.11 4.25 0.31 2.01 -4.23 -1.26 -4.90 115.64 111.70 1xg1 s THR 18 Ca -0.01 1.10 0.01 0.00 -1.18 0.00 0.00 61.69 61.61 1xg1 s THR 18 Cb -0.11 -3.59 0.28 0.00 1.34 0.00 0.00 72.50 70.42 1xg1 s THR 18 CO 0.02 -0.60 1.92 1.62 -0.54 0.00 0.00 174.62 177.03 1xg1 h VAL 19 N 0.81 1.07 -0.15 2.29 3.04 -2.00 -1.44 116.25 119.87 1xg1 h VAL 19 Ca -0.47 -0.35 -0.01 0.00 -1.01 0.00 0.00 66.70 64.86 1xg1 h VAL 19 Cb 1.20 -0.04 -0.01 0.00 -2.01 0.00 0.00 31.29 30.44 1xg1 h VAL 19 CO 0.60 0.19 0.05 -0.08 -1.01 0.00 0.00 177.57 177.31 1xg1 h GLU 20 N 1.01 0.23 -0.75 4.17 4.81 -2.00 -2.26 114.58 119.79 1xg1 h GLU 20 Ca 0.38 -0.05 0.02 0.00 -0.13 0.00 0.00 59.36 59.58 1xg1 h GLU 20 Cb 0.19 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.50 1xg1 h GLU 20 CO -0.14 0.36 0.50 0.93 -0.73 0.00 0.00 179.01 179.93 1xg1 h GLU 21 N 0.06 0.96 -0.10 1.92 5.08 -1.83 -1.72 114.58 118.94 1xg1 h GLU 21 Ca 0.05 -0.06 -0.09 0.00 -1.00 0.00 0.00 59.36 58.26 1xg1 h GLU 21 Cb 0.23 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 1xg1 h GLU 21 CO -0.00 0.63 -0.35 0.77 -1.00 0.00 0.00 179.01 179.06 1xg1 h SER 22 N 0.99 0.21 -0.49 1.42 0.02 -1.08 -2.74 113.55 111.87 1xg1 h SER 22 Ca 0.28 -0.08 -0.08 0.00 -0.84 0.00 0.00 61.79 61.07 1xg1 h SER 22 Cb -0.06 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 62.40 1xg1 h SER 22 CO -0.07 0.55 -0.00 -0.33 -1.14 0.00 0.00 176.83 175.84 1xg1 h GLU 23 N 0.18 0.92 -0.58 3.45 4.39 -0.71 -2.95 114.58 119.27 1xg1 h GLU 23 Ca 0.02 -0.27 -0.01 0.00 0.34 0.00 0.00 59.36 59.44 1xg1 h GLU 23 Cb 0.71 -0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 29.24 1xg1 h GLU 23 CO 0.05 0.91 0.33 -1.49 -1.16 0.00 0.00 179.01 177.65 1xg1 h TRP 24 N 0.85 0.79 -0.55 4.33 6.55 -1.27 -0.88 115.95 125.77 1xg1 h TRP 24 Ca 0.16 -0.01 -0.03 0.00 0.95 0.00 0.00 58.89 59.95 1xg1 h TRP 24 Cb 0.50 -0.25 -0.03 0.00 -0.86 0.00 0.00 29.16 28.52 1xg1 h TRP 24 CO 0.03 0.57 0.21 -0.39 -1.05 0.00 0.00 178.44 177.80 1xg1 h VAL 25 N 0.79 1.20 -0.04 1.49 -1.51 -1.46 0.50 116.25 117.23 1xg1 h VAL 25 Ca 0.21 -0.65 -0.01 0.00 -1.23 0.00 0.00 66.70 65.02 1xg1 h VAL 25 Cb 0.03 0.57 -0.00 0.00 -2.13 0.00 0.00 31.29 29.75 1xg1 h VAL 25 CO -0.03 0.25 -0.01 0.50 -1.23 0.00 0.00 177.57 177.05 1xg1 h LYS 26 N 0.78 0.07 -0.39 5.19 3.64 -1.29 -2.21 116.57 122.37 1xg1 h LYS 26 Ca 0.19 -0.03 -0.16 0.00 -1.27 0.00 0.00 60.65 59.38 1xg1 h LYS 26 Cb 0.17 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.98 1xg1 h LYS 26 CO -0.02 0.40 -0.37 0.00 -2.27 0.00 0.00 179.45 177.19 1xg1 h ALA 27 N 0.67 0.59 -0.85 5.00 0.00 -0.94 -3.06 119.26 120.67 1xg1 h ALA 27 Ca 0.01 -0.45 -0.00 0.00 0.00 0.00 0.00 54.91 54.47 1xg1 h ALA 27 Cb 0.37 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 1xg1 h ALA 27 CO 0.00 0.68 0.52 0.78 0.00 0.00 0.00 179.25 181.23 1xg1 h GLY 28 N 0.79 1.22 1.01 0.00 0.00 0.01 0.17 103.07 106.27 1xg1 h GLY 28 Ca 0.07 -0.50 -0.06 0.00 0.00 0.00 0.00 47.33 46.84 1xg1 h GLY 28 CO 0.09 0.49 0.13 -2.08 0.00 0.00 0.00 176.54 175.17 1xg1 h VAL 29 N 1.16 1.25 -0.22 4.60 2.07 -1.40 0.64 116.25 124.36 1xg1 h VAL 29 Ca 0.31 -0.92 -0.16 0.00 0.82 0.00 0.00 66.70 66.75 1xg1 h VAL 29 Cb -0.06 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 30.43 1xg1 h VAL 29 CO -0.06 0.34 -0.51 -0.61 0.02 0.00 0.00 177.57 176.75 1xg1 h GLN 30 N 0.85 0.61 0.00 1.57 4.15 -1.38 -1.87 115.11 119.04 1xg1 h GLN 30 Ca 0.18 -0.37 -0.09 0.00 0.77 0.00 0.00 58.65 59.15 1xg1 h GLN 30 Cb 0.36 0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.08 1xg1 h GLN 30 CO 0.00 0.98 -0.53 -0.22 -1.93 0.00 0.00 178.83 177.13 1xg1 h LYS 31 N 0.48 0.00 0.00 1.69 3.64 -0.49 -3.42 116.57 118.46 1xg1 h LYS 31 Ca 0.02 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.33 1xg1 h LYS 31 Cb 1.06 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.87 1xg1 h LYS 31 CO 0.10 0.79 -0.46 1.88 -2.27 0.00 0.00 179.45 179.50 1xg1 h TYR 32 N -1.00 0.00 0.00 1.91 -1.99 0.15 -3.51 116.97 112.53 1xg1 h TYR 32 Ca -0.13 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.60 1xg1 h TYR 32 Cb 0.96 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.69 1xg1 h TYR 32 CO 0.13 0.72 0.00 0.41 -0.00 0.00 0.00 178.16 179.42 1xg1 n GLY 33 N 1.60 4.10 3.68 3.88 0.00 -0.71 -4.98 105.19 112.76 1xg1 n GLY 33 Ca -0.13 -1.06 -0.47 0.00 0.00 0.00 0.00 46.02 44.36 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 -0.06 2.21 0.00 1.61 2.13 -1.21 -2.30 120.64 123.01 1xg1 n GLU 34 Ca 0.00 0.80 0.00 0.00 0.66 0.00 0.00 57.16 58.62 1xg1 n GLU 34 Cb 0.00 -2.61 0.00 0.00 0.27 0.00 0.00 31.44 29.10 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 3.88 2.01 2.20 8.31 0.00 -1.26 -4.98 105.19 115.36 1xg1 n GLY 35 Ca 0.19 -0.56 -0.23 0.00 0.00 0.00 0.00 46.02 45.43 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 6.42 -0.34 1.61 3.02 -0.97 -4.59 115.26 120.41 1xg1 n ASN 36 Ca 0.00 -2.70 -0.04 0.00 -0.03 0.00 0.00 54.58 51.82 1xg1 n ASN 36 Cb 0.00 -1.41 0.09 0.00 -0.61 0.00 0.00 39.78 37.85 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 3.53 1.22 -0.74 3.10 4.06 -1.90 -0.62 115.95 124.60 1xg1 h TRP 37 Ca 0.41 -0.01 -0.05 0.00 2.06 0.00 0.00 58.89 61.30 1xg1 h TRP 37 Cb 1.01 -0.40 -0.03 0.00 -1.00 0.00 0.00 29.16 28.75 1xg1 h TRP 37 CO 1.73 0.82 0.27 0.00 -3.56 0.00 0.00 178.44 177.70 1xg1 h ALA 38 N 1.29 0.96 -0.42 1.49 0.00 -1.87 -0.33 119.26 120.38 1xg1 h ALA 38 Ca 0.32 -0.20 -0.12 0.00 0.00 0.00 0.00 54.91 54.91 1xg1 h ALA 38 Cb -0.02 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 1xg1 h ALA 38 CO -0.06 0.61 -0.21 0.00 0.00 0.00 0.00 179.25 179.59 1xg1 h ALA 39 N 1.13 0.83 -0.14 0.00 0.00 -1.81 -1.28 119.26 117.99 1xg1 h ALA 39 Ca 0.24 -0.37 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 1xg1 h ALA 39 Cb 0.25 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 1xg1 h ALA 39 CO -0.01 0.64 -0.04 0.82 0.00 0.00 0.00 179.25 180.66 1xg1 h ILE 40 N 0.73 1.29 -0.56 0.00 2.04 -0.80 -2.44 117.51 117.76 1xg1 h ILE 40 Ca 0.10 -0.99 -0.05 0.00 1.00 0.00 0.00 64.86 64.92 1xg1 h ILE 40 Cb 0.74 1.65 -0.03 0.00 -0.74 0.00 0.00 36.82 38.45 1xg1 h ILE 40 CO 0.06 0.29 0.16 0.77 0.00 0.00 0.00 178.15 179.43 1xg1 h SER 41 N -0.03 0.79 -0.13 1.72 4.64 -1.03 0.24 113.55 119.76 1xg1 h SER 41 Ca 0.04 -0.13 -0.01 0.00 -0.47 0.00 0.00 61.79 61.22 1xg1 h SER 41 Cb 0.46 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 62.34 1xg1 h SER 41 CO 0.01 0.76 0.05 0.50 -0.87 0.00 0.00 176.83 177.29 1xg1 h LYS 42 N 0.83 0.19 0.00 4.77 1.63 -1.15 -3.33 116.57 119.51 1xg1 h LYS 42 Ca 0.19 -0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 59.94 1xg1 h LYS 42 Cb 0.27 -0.03 -0.00 0.00 -0.60 0.00 0.00 32.23 31.87 1xg1 h LYS 42 CO -0.01 0.28 -0.05 -0.91 -3.45 0.00 0.00 179.45 175.31 1xg1 h ASN 43 N 0.06 0.00 -4.00 4.20 2.35 -1.31 -3.46 115.58 113.41 1xg1 h ASN 43 Ca 0.04 -0.95 -0.51 0.00 -0.55 0.00 0.00 56.30 54.33 1xg1 h ASN 43 Cb 0.16 0.00 0.07 0.00 0.05 0.00 0.00 38.32 38.59 1xg1 h ASN 43 CO -0.00 1.00 0.49 -0.31 -1.65 0.00 0.00 177.43 176.96 1xg1 s TYR 44 N -2.21 2.84 0.00 1.19 1.51 0.84 -4.87 117.35 116.65 1xg1 s TYR 44 Ca -0.19 1.52 -0.02 0.00 -1.01 0.00 0.00 57.07 57.38 1xg1 s TYR 44 Cb -0.03 -3.41 -0.08 0.00 -0.11 0.00 0.00 41.96 38.34 1xg1 s TYR 44 CO 0.67 -1.60 1.51 -0.35 -1.11 0.00 0.00 175.55 174.67 1xg1 n PRO 45 N -0.51 0.71 -2.18 -1.71 -0.04 -1.26 -4.71 135.00 125.30 1xg1 n PRO 45 Ca 0.07 -0.28 -0.42 0.00 -0.04 0.00 0.00 63.50 62.83 1xg1 n PRO 45 Cb 0.48 -1.56 -0.03 0.00 -0.04 0.00 0.00 33.50 32.35 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 1.78 2.92 -0.10 0.54 0.08 -1.26 -5.00 117.98 116.93 1xg1 s PHE 46 Ca 0.19 0.81 0.03 0.00 0.12 0.00 0.00 56.93 58.08 1xg1 s PHE 46 Cb 0.09 -3.69 -0.01 0.00 -0.57 0.00 0.00 43.02 38.84 1xg1 s PHE 46 CO 0.00 -2.56 -0.21 0.54 -0.10 0.00 0.00 175.22 172.89 1xg1 s VAL 47 N 2.07 2.34 0.00 -0.44 0.11 -1.26 -4.68 120.40 118.54 1xg1 s VAL 47 Ca 0.65 -0.93 0.00 0.00 -2.93 0.00 0.00 61.98 58.77 1xg1 s VAL 47 Cb -0.34 -1.91 0.00 0.00 -1.53 0.00 0.00 36.38 32.60 1xg1 s VAL 47 CO 0.28 0.55 0.00 0.59 -3.33 0.00 0.00 175.10 173.20 1xg1 n ASN 48 N 3.38 0.00 -4.69 3.54 3.02 -1.26 -4.91 115.26 114.34 1xg1 n ASN 48 Ca -0.18 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 53.94 1xg1 n ASN 48 Cb 0.53 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.67 1xg1 n ASN 48 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1xg1 s ARG 49 N 0.00 4.23 0.60 3.52 3.00 -1.26 -5.01 118.95 124.02 1xg1 s ARG 49 Ca 0.00 2.23 0.05 0.00 0.00 0.00 0.00 55.73 58.00 1xg1 s ARG 49 Cb 0.00 -3.54 0.08 0.00 0.00 0.00 0.00 34.95 31.49 1xg1 s ARG 49 CO 0.00 -0.67 0.82 0.95 0.00 0.00 0.00 175.30 176.40 1xg1 s THR 50 N 2.40 2.36 0.19 0.02 -4.23 -1.26 -4.90 115.64 110.21 1xg1 s THR 50 Ca 0.71 -0.81 -0.11 0.00 -1.18 0.00 0.00 61.69 60.30 1xg1 s THR 50 Cb -0.38 -2.55 0.12 0.00 1.34 0.00 0.00 72.50 71.03 1xg1 s THR 50 CO 0.31 0.00 1.82 0.00 -0.54 0.00 0.00 174.62 176.20 1xg1 h ALA 51 N -0.01 0.86 -0.62 3.99 0.00 -1.95 -1.69 119.26 119.84 1xg1 h ALA 51 Ca -0.36 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.42 1xg1 h ALA 51 Cb 1.28 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.77 1xg1 h ALA 51 CO 0.43 0.36 0.22 0.28 0.00 0.00 0.00 179.25 180.54 1xg1 h VAL 52 N 0.92 1.23 -0.77 0.00 2.07 -1.95 0.18 116.25 117.94 1xg1 h VAL 52 Ca 0.24 -0.75 0.01 0.00 0.82 0.00 0.00 66.70 67.02 1xg1 h VAL 52 Cb 0.01 0.52 -0.04 0.00 -1.52 0.00 0.00 31.29 30.27 1xg1 h VAL 52 CO -0.04 0.29 0.51 0.24 0.02 0.00 0.00 177.57 178.59 1xg1 h MET 53 N 0.89 1.01 -0.31 1.57 2.07 -1.78 0.20 114.93 118.58 1xg1 h MET 53 Ca 0.21 -0.06 -0.06 0.00 -2.07 0.00 0.00 59.70 57.71 1xg1 h MET 53 Cb 0.22 -0.23 -0.01 0.00 -1.87 0.00 0.00 31.60 29.71 1xg1 h MET 53 CO -0.01 0.67 -0.05 0.82 1.07 0.00 0.00 176.91 179.41 1xg1 h ILE 54 N 1.04 1.27 -0.41 -1.22 2.04 -0.49 0.37 117.51 120.11 1xg1 h ILE 54 Ca 0.28 -1.06 0.06 0.00 1.00 0.00 0.00 64.86 65.14 1xg1 h ILE 54 Cb -0.12 1.33 -0.05 0.00 -0.74 0.00 0.00 36.82 37.25 1xg1 h ILE 54 CO -0.06 0.34 0.12 0.50 0.00 0.00 0.00 178.15 179.05 1xg1 h LYS 55 N 0.36 0.26 -0.31 2.37 3.64 -0.06 0.19 116.57 123.01 1xg1 h LYS 55 Ca 0.08 -0.02 -0.13 0.00 -1.27 0.00 0.00 60.65 59.32 1xg1 h LYS 55 Cb 0.52 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.27 1xg1 h LYS 55 CO 0.03 0.17 -0.31 0.22 -2.27 0.00 0.00 179.45 177.29 1xg1 h ASP 56 N 0.27 0.82 -0.91 4.20 3.58 -0.53 -3.19 116.42 120.65 1xg1 h ASP 56 Ca 0.20 -0.47 0.01 0.00 0.42 0.00 0.00 57.03 57.18 1xg1 h ASP 56 Cb 0.21 -0.23 -0.05 0.00 1.72 0.00 0.00 39.33 40.98 1xg1 h ASP 56 CO -0.22 1.12 0.59 -0.09 -2.88 0.00 0.00 179.24 177.76 1xg1 h ARG 57 N 0.53 1.21 -0.42 0.28 9.65 0.39 -1.09 114.38 124.92 1xg1 h ARG 57 Ca 0.05 -0.08 -0.01 0.00 -1.10 0.00 0.00 59.98 58.84 1xg1 h ARG 57 Cb 0.89 -0.27 -0.02 0.00 -1.39 0.00 0.00 29.97 29.18 1xg1 h ARG 57 CO 0.08 0.81 0.23 2.35 2.80 0.00 0.00 179.97 186.23 1xg1 h TRP 58 N 1.24 0.59 -0.59 2.20 -0.00 -0.65 0.34 115.95 119.08 1xg1 h TRP 58 Ca 0.33 -0.02 0.03 0.00 -0.00 0.00 0.00 58.89 59.24 1xg1 h TRP 58 Cb -0.13 -0.19 -0.04 0.00 -0.00 0.00 0.00 29.16 28.81 1xg1 h TRP 58 CO 0.00 0.45 0.36 0.00 -0.00 0.00 0.00 178.44 179.25 1xg1 h ARG 59 N 0.55 0.68 -0.51 2.65 3.08 -1.44 -1.82 114.38 117.57 1xg1 h ARG 59 Ca 0.15 -0.04 -0.09 0.00 0.07 0.00 0.00 59.98 60.07 1xg1 h ARG 59 Cb 0.07 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 29.95 1xg1 h ARG 59 CO -0.02 0.45 -0.03 1.79 -1.07 0.00 0.00 179.97 181.09 1xg1 h THR 60 N 0.70 1.27 -0.77 2.04 1.35 -0.67 -1.61 112.91 115.22 1xg1 h THR 60 Ca 0.24 -1.13 0.05 0.00 -0.55 0.00 0.00 66.41 65.02 1xg1 h THR 60 Cb 0.04 0.98 -0.06 0.00 -1.73 0.00 0.00 68.15 67.38 1xg1 h THR 60 CO -0.11 0.40 0.47 0.24 -0.25 0.00 0.00 175.52 176.27 1xg1 h MET 61 N 0.78 0.84 -0.29 4.72 2.86 0.09 0.22 114.93 124.16 1xg1 h MET 61 Ca 0.14 -0.05 -0.05 0.00 -2.06 0.00 0.00 59.70 57.68 1xg1 h MET 61 Cb 0.56 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 32.02 1xg1 h MET 61 CO 0.03 0.56 -0.03 0.87 1.06 0.00 0.00 176.91 179.40 1xg1 h LYS 62 N 0.87 0.52 -0.65 1.72 1.57 -1.20 0.13 116.57 119.53 1xg1 h LYS 62 Ca 0.33 -0.18 -0.02 0.00 -1.87 0.00 0.00 60.65 58.91 1xg1 h LYS 62 Cb 0.14 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.39 1xg1 h LYS 62 CO -0.16 0.70 0.32 -0.09 -0.57 0.00 0.00 179.45 179.64 1xg1 h ARG 63 N 0.30 0.93 0.00 3.15 2.43 -0.68 -2.00 114.38 118.51 1xg1 h ARG 63 Ca 0.08 -0.13 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 1xg1 h ARG 63 Cb 0.48 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.86 1xg1 h ARG 63 CO 0.02 0.74 0.00 -0.07 -1.51 0.00 0.00 179.97 179.15 1xg1 h LEU 64 N 0.89 0.00 -2.16 3.80 3.38 -0.52 -3.47 115.31 117.24 1xg1 h LEU 64 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.19 1xg1 h LEU 64 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1xg1 h LEU 64 CO -0.03 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.11 1xg1 n GLY 65 N 0.33 0.54 2.51 0.83 0.00 -0.45 -5.01 105.19 103.93 1xg1 n GLY 65 Ca 0.02 -0.43 -0.17 0.00 0.00 0.00 0.00 46.02 45.44 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 -1.08 2.52 0.00 1.61 2.81 0.32 -5.03 117.12 118.27 1xg1 n MET 66 Ca 0.00 -3.92 0.00 0.00 -1.81 0.00 0.00 57.70 51.97 1xg1 n MET 66 Cb 0.49 -1.86 0.00 0.00 -0.71 0.00 0.00 33.22 31.14 1xg1 n MET 66 CO 0.00 0.00 0.00 0.27 1.51 0.00 0.00 175.97 177.75