#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 0.97 -3.87 1.61 0.87 -2.07 -3.43 113.55 107.62 1xg1 h SER 2 Ca 0.00 -0.31 -0.32 0.00 -1.23 0.00 0.00 61.79 59.93 1xg1 h SER 2 Cb 0.00 -0.26 -0.29 0.00 -0.44 0.00 0.00 62.40 61.41 1xg1 h SER 2 CO 0.00 1.08 -0.75 -1.00 -0.53 0.00 0.00 176.83 175.62 1xg1 s HIS 3 N -4.84 0.45 -0.33 2.24 0.09 -1.26 -5.04 115.29 106.60 1xg1 s HIS 3 Ca -0.11 -0.09 0.16 0.00 -0.00 0.00 0.00 55.06 55.03 1xg1 s HIS 3 Cb 0.13 -0.31 0.45 0.00 -0.00 0.00 0.00 32.58 32.86 1xg1 s HIS 3 CO 0.85 -0.02 1.11 -0.12 -0.00 0.00 0.00 174.74 176.56 1xg1 n MET 4 N 3.04 1.27 0.00 1.40 0.00 -1.26 -5.13 117.12 116.44 1xg1 n MET 4 Ca -0.14 -2.84 0.00 0.00 0.00 0.00 0.00 57.70 54.72 1xg1 n MET 4 Cb 0.58 -0.92 0.00 0.00 0.00 0.00 0.00 33.22 32.87 1xg1 n MET 4 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 175.97 176.36 1xg1 n GLU 5 N -0.37 0.00 0.00 2.12 -0.58 -1.26 -4.87 120.64 115.68 1xg1 n GLU 5 Ca 0.04 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.78 1xg1 n GLU 5 Cb 0.83 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.70 1xg1 n GLU 5 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 1xg1 n ASP 6 N -2.52 0.00 0.00 1.62 2.03 -1.26 -4.87 116.55 111.56 1xg1 n ASP 6 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1xg1 n ASP 6 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1xg1 n ASP 6 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1xg1 n SER 7 N 9.26 0.00 -2.25 1.67 2.88 -1.26 -5.01 113.62 118.90 1xg1 n SER 7 Ca 0.00 0.00 -0.24 0.00 -1.33 0.00 0.00 58.87 57.30 1xg1 n SER 7 Cb 0.00 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1xg1 n SER 7 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1xg1 n THR 8 N 0.00 3.14 -1.63 2.46 -2.24 -1.26 -4.82 114.28 109.92 1xg1 n THR 8 Ca 0.00 -2.49 -0.42 0.00 -2.27 0.00 0.00 64.05 58.87 1xg1 n THR 8 Cb 0.00 -1.44 -0.01 0.00 -2.10 0.00 0.00 70.33 66.78 1xg1 n THR 8 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1xg1 n THR 9 N 0.46 3.11 -0.35 4.28 -1.04 -1.26 -4.79 114.28 114.69 1xg1 n THR 9 Ca 0.43 -2.73 -0.00 0.00 -2.04 0.00 0.00 64.05 59.70 1xg1 n THR 9 Cb 0.56 -2.54 -0.00 0.00 -1.82 0.00 0.00 70.33 66.53 1xg1 n THR 9 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 1xg1 n ASN 10 N 6.48 3.70 -2.28 8.00 2.04 -1.26 -4.06 115.26 127.88 1xg1 n ASN 10 Ca 0.51 -1.98 -0.28 0.00 -0.44 0.00 0.00 54.58 52.40 1xg1 n ASN 10 Cb 0.39 -0.79 0.02 0.00 -2.53 0.00 0.00 39.78 36.88 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 1.67 2.69 0.11 1.53 5.41 -1.26 -4.81 119.36 124.70 1xg1 n ILE 11 Ca 0.01 -4.31 -0.05 0.00 1.00 0.00 0.00 62.75 59.40 1xg1 n ILE 11 Cb 0.35 -1.19 -0.02 0.00 -0.71 0.00 0.00 39.64 38.07 1xg1 n ILE 11 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 176.55 177.29 1xg1 h THR 12 N 2.16 0.00 0.00 1.39 2.02 -2.01 -3.46 112.91 113.01 1xg1 h THR 12 Ca 0.39 -0.24 0.00 0.00 0.77 0.00 0.00 66.41 67.33 1xg1 h THR 12 Cb 1.12 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.53 1xg1 h THR 12 CO 0.94 0.00 0.00 0.29 0.37 0.00 0.00 175.52 177.12 1xg1 n LYS 13 N -3.47 0.00 0.00 6.66 5.02 -1.26 -4.62 118.16 120.49 1xg1 n LYS 13 Ca -0.04 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.25 1xg1 n LYS 13 Cb 0.12 -0.12 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 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 0.00 0.00 -2.03 1.97 2.85 -1.26 -5.11 118.16 114.59 1xg1 n LYS 14 Ca 0.00 0.00 -0.42 0.00 -1.05 0.00 0.00 58.31 56.84 1xg1 n LYS 14 Cb 0.00 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 34.35 1xg1 n LYS 14 CO 0.00 0.00 0.00 1.14 -0.05 0.00 0.00 177.40 178.49 1xg1 s GLN 15 N 1.12 4.20 -0.15 -1.58 -2.07 -1.26 -4.98 119.66 114.94 1xg1 s GLN 15 Ca 0.00 2.18 -0.06 0.00 -1.82 0.00 0.00 55.36 55.65 1xg1 s GLN 15 Cb 0.00 -3.86 -0.04 0.00 -1.09 0.00 0.00 33.01 28.02 1xg1 s GLN 15 CO 0.00 -0.79 0.07 -1.59 -1.32 0.00 0.00 175.29 171.65 1xg1 s LYS 16 N 3.59 3.68 -0.06 9.60 -2.85 -1.26 -5.10 119.74 127.34 1xg1 s LYS 16 Ca 0.72 -0.31 -0.01 0.00 -1.00 0.00 0.00 55.97 55.36 1xg1 s LYS 16 Cb -0.34 -3.13 -0.04 0.00 -2.06 0.00 0.00 37.83 32.27 1xg1 s LYS 16 CO 0.29 0.46 0.03 -1.58 0.10 0.00 0.00 175.35 174.65 1xg1 s TRP 17 N -0.16 3.21 0.37 1.78 0.52 -1.26 -5.11 118.94 118.30 1xg1 s TRP 17 Ca 0.07 0.21 -0.15 0.00 0.02 0.00 0.00 56.10 56.25 1xg1 s TRP 17 Cb -0.12 -1.77 -0.09 0.00 -1.15 0.00 0.00 33.47 30.34 1xg1 s TRP 17 CO 0.01 0.51 0.80 0.95 0.02 0.00 0.00 176.95 179.24 1xg1 s THR 18 N -1.00 4.63 0.53 2.01 -4.23 -1.26 -4.92 115.64 111.40 1xg1 s THR 18 Ca 0.17 1.01 0.19 0.00 -1.18 0.00 0.00 61.69 61.87 1xg1 s THR 18 Cb -0.12 -3.64 0.29 0.00 1.34 0.00 0.00 72.50 70.38 1xg1 s THR 18 CO 0.06 -0.31 2.14 1.62 -0.54 0.00 0.00 174.62 177.60 1xg1 h VAL 19 N 1.71 0.91 0.25 2.29 3.04 -1.99 0.16 116.25 122.62 1xg1 h VAL 19 Ca -0.48 0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 65.20 1xg1 h VAL 19 Cb 1.18 0.97 0.00 0.00 -2.01 0.00 0.00 31.29 31.43 1xg1 h VAL 19 CO 0.64 0.00 -0.12 -0.08 -1.01 0.00 0.00 177.57 177.00 1xg1 h GLU 20 N 0.00 -0.32 -0.30 4.17 4.81 -2.00 -1.38 114.58 119.56 1xg1 h GLU 20 Ca 0.03 0.02 -0.13 0.00 -0.13 0.00 0.00 59.36 59.15 1xg1 h GLU 20 Cb 0.11 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.55 1xg1 h GLU 20 CO -0.00 -0.19 -0.33 0.93 -0.73 0.00 0.00 179.01 178.69 1xg1 h GLU 21 N -0.36 0.65 -0.94 1.92 5.08 -1.76 -3.06 114.58 116.11 1xg1 h GLU 21 Ca -0.03 -0.30 0.03 0.00 -1.00 0.00 0.00 59.36 58.05 1xg1 h GLU 21 Cb 0.28 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.47 1xg1 h GLU 21 CO 0.06 0.89 0.62 0.77 -1.00 0.00 0.00 179.01 180.35 1xg1 h SER 22 N 0.55 1.04 0.17 1.42 0.02 -0.81 -1.96 113.55 113.99 1xg1 h SER 22 Ca 0.06 -0.02 -0.08 0.00 -0.84 0.00 0.00 61.79 60.91 1xg1 h SER 22 Cb 0.83 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 63.11 1xg1 h SER 22 CO 0.07 0.73 -0.31 -0.33 -1.14 0.00 0.00 176.83 175.85 1xg1 h GLU 23 N 1.22 0.22 -0.58 3.45 4.39 -1.15 -2.98 114.58 119.15 1xg1 h GLU 23 Ca 0.36 -0.08 -0.09 0.00 0.34 0.00 0.00 59.36 59.89 1xg1 h GLU 23 Cb -0.05 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.56 1xg1 h GLU 23 CO -0.10 0.51 -0.01 -1.49 -1.16 0.00 0.00 179.01 176.77 1xg1 h TRP 24 N 0.20 1.12 -0.57 4.33 6.55 -1.34 -1.90 115.95 124.33 1xg1 h TRP 24 Ca 0.03 -0.20 -0.04 0.00 0.95 0.00 0.00 58.89 59.63 1xg1 h TRP 24 Cb 0.65 -0.29 -0.03 0.00 -0.86 0.00 0.00 29.16 28.63 1xg1 h TRP 24 CO 0.01 1.00 0.20 -0.39 -1.05 0.00 0.00 178.44 178.21 1xg1 h VAL 25 N 0.92 1.21 -0.30 1.49 -1.51 -1.36 0.21 116.25 116.90 1xg1 h VAL 25 Ca 0.16 -0.69 -0.05 0.00 -1.23 0.00 0.00 66.70 64.89 1xg1 h VAL 25 Cb 0.56 0.56 -0.01 0.00 -2.13 0.00 0.00 31.29 30.27 1xg1 h VAL 25 CO 0.03 0.27 -0.01 0.11 -1.23 0.00 0.00 177.57 176.74 1xg1 h LYS 26 N 0.82 0.54 -0.43 5.19 1.57 -1.41 -2.45 116.57 120.39 1xg1 h LYS 26 Ca 0.19 -0.18 -0.13 0.00 -1.87 0.00 0.00 60.65 58.67 1xg1 h LYS 26 Cb 0.20 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 1xg1 h LYS 26 CO -0.01 0.69 -0.23 0.00 -0.57 0.00 0.00 179.45 179.33 1xg1 h ALA 27 N 0.83 0.60 -0.89 3.86 0.00 -0.99 -3.12 119.26 119.55 1xg1 h ALA 27 Ca 0.08 -0.39 0.02 0.00 0.00 0.00 0.00 54.91 54.62 1xg1 h ALA 27 Cb 0.45 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.05 1xg1 h ALA 27 CO 0.02 0.59 0.59 0.78 0.00 0.00 0.00 179.25 181.23 1xg1 h GLY 28 N 0.74 1.27 1.13 0.00 0.00 -0.53 0.24 103.07 105.91 1xg1 h GLY 28 Ca 0.09 -0.46 -0.04 0.00 0.00 0.00 0.00 47.33 46.92 1xg1 h GLY 28 CO 0.07 0.44 0.33 -2.08 0.00 0.00 0.00 176.54 175.29 1xg1 h VAL 29 N 1.18 1.25 -0.00 4.60 2.07 -1.38 0.62 116.25 124.59 1xg1 h VAL 29 Ca 0.34 -0.75 -0.00 0.00 0.82 0.00 0.00 66.70 67.10 1xg1 h VAL 29 Cb -0.09 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 29.99 1xg1 h VAL 29 CO -0.08 0.31 -0.00 -0.61 0.02 0.00 0.00 177.57 177.21 1xg1 h GLN 30 N 1.10 0.00 -0.05 1.57 4.15 -1.31 -1.88 115.11 118.68 1xg1 h GLN 30 Ca 0.26 -0.00 -0.04 0.00 0.77 0.00 0.00 58.65 59.64 1xg1 h GLN 30 Cb 0.17 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.86 1xg1 h GLN 30 CO -0.03 0.64 -0.13 -0.22 -1.93 0.00 0.00 178.83 177.16 1xg1 h LYS 31 N -0.63 0.18 0.00 1.69 3.64 -0.45 -3.40 116.57 117.60 1xg1 h LYS 31 Ca -0.00 -0.13 -0.27 0.00 -1.27 0.00 0.00 60.65 58.99 1xg1 h LYS 31 Cb 0.64 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.44 1xg1 h LYS 31 CO 0.00 0.74 -1.59 0.66 -2.27 0.00 0.00 179.45 176.99 1xg1 n TYR 32 N -4.63 0.60 0.00 1.91 4.02 0.21 -5.07 117.16 114.21 1xg1 n TYR 32 Ca -0.08 0.26 0.00 0.00 -0.01 0.00 0.00 57.90 58.07 1xg1 n TYR 32 Cb 0.38 -0.99 0.00 0.00 -0.02 0.00 0.00 39.34 38.71 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 1.39 4.05 3.69 2.72 0.00 -0.71 -4.92 105.19 111.41 1xg1 n GLY 33 Ca -0.36 -1.25 -0.51 0.00 0.00 0.00 0.00 46.02 43.91 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 -0.43 1.88 0.00 1.61 2.13 -1.21 -1.59 120.64 123.04 1xg1 n GLU 34 Ca 0.00 0.69 0.00 0.00 0.66 0.00 0.00 57.16 58.51 1xg1 n GLU 34 Cb 0.00 -2.48 0.00 0.00 0.27 0.00 0.00 31.44 29.23 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 4.27 1.78 2.12 8.31 0.00 -1.26 -4.98 105.19 115.44 1xg1 n GLY 35 Ca 0.23 -0.58 -0.22 0.00 0.00 0.00 0.00 46.02 45.45 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 6.57 -0.24 1.61 3.02 -0.62 -4.55 115.26 121.06 1xg1 n ASN 36 Ca 0.00 -2.52 -0.08 0.00 -0.03 0.00 0.00 54.58 51.95 1xg1 n ASN 36 Cb 0.00 -1.47 0.04 0.00 -0.61 0.00 0.00 39.78 37.74 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 3.75 1.12 -1.00 3.10 4.06 -1.90 -2.06 115.95 123.03 1xg1 h TRP 37 Ca 0.45 -0.14 0.02 0.00 2.06 0.00 0.00 58.89 61.28 1xg1 h TRP 37 Cb 1.05 -0.32 -0.05 0.00 -1.00 0.00 0.00 29.16 28.84 1xg1 h TRP 37 CO 1.82 0.93 0.66 0.00 -3.56 0.00 0.00 178.44 178.29 1xg1 h ALA 38 N 1.06 1.31 -0.20 1.49 0.00 -1.86 0.15 119.26 121.21 1xg1 h ALA 38 Ca 0.21 -0.06 -0.14 0.00 0.00 0.00 0.00 54.91 54.92 1xg1 h ALA 38 Cb 0.37 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1xg1 h ALA 38 CO 0.00 0.63 -0.45 0.00 0.00 0.00 0.00 179.25 179.43 1xg1 h ALA 39 N 1.39 0.84 -0.16 0.00 0.00 -1.88 -1.19 119.26 118.26 1xg1 h ALA 39 Ca 0.37 -0.46 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 1xg1 h ALA 39 Cb -0.11 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 1xg1 h ALA 39 CO -0.09 0.66 -0.16 0.82 0.00 0.00 0.00 179.25 180.47 1xg1 h ILE 40 N 0.41 1.34 -0.48 0.00 2.04 -0.61 -1.71 117.51 118.49 1xg1 h ILE 40 Ca 0.03 -1.33 -0.07 0.00 1.00 0.00 0.00 64.86 64.49 1xg1 h ILE 40 Cb 0.96 1.85 -0.02 0.00 -0.74 0.00 0.00 36.82 38.86 1xg1 h ILE 40 CO 0.08 0.39 0.02 0.77 0.00 0.00 0.00 178.15 179.42 1xg1 h SER 41 N 0.03 0.74 -0.29 1.72 4.64 -0.72 0.39 113.55 120.07 1xg1 h SER 41 Ca 0.02 -0.17 -0.03 0.00 -0.47 0.00 0.00 61.79 61.15 1xg1 h SER 41 Cb 0.70 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 62.58 1xg1 h SER 41 CO 0.04 0.80 0.06 0.50 -0.87 0.00 0.00 176.83 177.36 1xg1 h LYS 42 N 0.73 0.47 0.00 4.77 3.64 -1.15 -3.36 116.57 121.68 1xg1 h LYS 42 Ca 0.15 -0.12 -0.14 0.00 -1.27 0.00 0.00 60.65 59.27 1xg1 h LYS 42 Cb 0.42 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.16 1xg1 h LYS 42 CO 0.02 0.56 -0.75 -0.91 -2.27 0.00 0.00 179.45 176.09 1xg1 h ASN 43 N 0.31 0.00 -4.01 4.20 2.35 -1.17 -3.47 115.58 113.78 1xg1 h ASN 43 Ca 0.09 -0.67 -0.51 0.00 -0.55 0.00 0.00 56.30 54.66 1xg1 h ASN 43 Cb 0.30 0.00 0.07 0.00 0.05 0.00 0.00 38.32 38.74 1xg1 h ASN 43 CO 0.00 1.28 0.49 -0.31 -1.65 0.00 0.00 177.43 177.24 1xg1 s TYR 44 N -2.29 2.81 0.00 1.19 1.51 0.14 -4.88 117.35 115.83 1xg1 s TYR 44 Ca -0.24 1.53 -0.00 0.00 -1.01 0.00 0.00 57.07 57.34 1xg1 s TYR 44 Cb 0.02 -3.40 -0.01 0.00 -0.11 0.00 0.00 41.96 38.46 1xg1 s TYR 44 CO 0.61 -1.61 0.84 -0.35 -1.11 0.00 0.00 175.55 173.93 1xg1 n PRO 45 N -0.62 0.41 -2.13 -1.71 -0.04 -1.26 -4.72 135.00 124.92 1xg1 n PRO 45 Ca 0.08 -0.04 -0.42 0.00 -0.04 0.00 0.00 63.50 63.08 1xg1 n PRO 45 Cb 0.48 -1.36 -0.03 0.00 -0.04 0.00 0.00 33.50 32.55 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 1.38 2.94 -0.24 0.54 0.40 -1.26 -4.99 117.98 116.76 1xg1 s PHE 46 Ca 0.03 0.77 -0.07 0.00 -0.60 0.00 0.00 56.93 57.06 1xg1 s PHE 46 Cb 0.01 -3.74 -0.03 0.00 0.51 0.00 0.00 43.02 39.78 1xg1 s PHE 46 CO 0.00 -2.73 0.06 0.54 0.70 0.00 0.00 175.22 173.80 1xg1 s VAL 47 N 1.86 4.34 0.00 -0.44 0.11 -1.26 -4.58 120.40 120.43 1xg1 s VAL 47 Ca 0.66 -0.17 0.00 0.00 -2.93 0.00 0.00 61.98 59.55 1xg1 s VAL 47 Cb -0.36 -3.02 0.00 0.00 -1.53 0.00 0.00 36.38 31.48 1xg1 s VAL 47 CO 0.29 0.36 0.00 0.59 -3.33 0.00 0.00 175.10 173.01 1xg1 n ASN 48 N 4.71 0.00 -4.68 3.54 3.02 -1.26 -4.92 115.26 115.67 1xg1 n ASN 48 Ca -0.16 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 53.96 1xg1 n ASN 48 Cb 0.52 -0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.65 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 0.76 3.52 3.00 -1.26 -5.01 118.95 124.19 1xg1 s ARG 49 Ca 0.00 2.05 -0.06 0.00 0.00 0.00 0.00 55.73 57.72 1xg1 s ARG 49 Cb 0.00 -3.72 0.11 0.00 0.00 0.00 0.00 34.95 31.35 1xg1 s ARG 49 CO 0.00 -0.69 1.06 0.95 0.00 0.00 0.00 175.30 176.62 1xg1 s THR 50 N 3.03 2.19 0.22 0.02 -4.23 -1.26 -4.91 115.64 110.71 1xg1 s THR 50 Ca 0.67 -0.34 -0.07 0.00 -1.18 0.00 0.00 61.69 60.77 1xg1 s THR 50 Cb -0.32 -2.85 0.18 0.00 1.34 0.00 0.00 72.50 70.85 1xg1 s THR 50 CO 0.27 0.00 1.80 0.00 -0.54 0.00 0.00 174.62 176.15 1xg1 h ALA 51 N -0.77 1.08 -0.76 3.99 0.00 -1.94 -1.81 119.26 119.05 1xg1 h ALA 51 Ca -0.42 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.29 1xg1 h ALA 51 Cb 1.28 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 18.70 1xg1 h ALA 51 CO 0.48 0.67 0.35 0.28 0.00 0.00 0.00 179.25 181.03 1xg1 h VAL 52 N 1.20 1.24 -0.63 0.00 2.07 -1.94 0.25 116.25 118.44 1xg1 h VAL 52 Ca 0.28 -0.70 -0.00 0.00 0.82 0.00 0.00 66.70 67.10 1xg1 h VAL 52 Cb 0.15 0.28 -0.03 0.00 -1.52 0.00 0.00 31.29 30.18 1xg1 h VAL 52 CO -0.03 0.29 0.38 0.24 0.02 0.00 0.00 177.57 178.47 1xg1 h MET 53 N 1.08 0.86 -0.31 1.57 2.07 -1.78 0.14 114.93 118.57 1xg1 h MET 53 Ca 0.26 -0.08 -0.04 0.00 -2.07 0.00 0.00 59.70 57.77 1xg1 h MET 53 Cb 0.13 -0.18 -0.01 0.00 -1.87 0.00 0.00 31.60 29.67 1xg1 h MET 53 CO -0.03 0.62 0.04 0.82 1.07 0.00 0.00 176.91 179.43 1xg1 h ILE 54 N 0.86 1.24 -0.17 -1.22 2.04 -0.56 0.33 117.51 120.01 1xg1 h ILE 54 Ca 0.23 -0.83 0.04 0.00 1.00 0.00 0.00 64.86 65.29 1xg1 h ILE 54 Cb -0.02 1.18 -0.04 0.00 -0.74 0.00 0.00 36.82 37.20 1xg1 h ILE 54 CO -0.04 0.27 -0.07 0.50 0.00 0.00 0.00 178.15 178.82 1xg1 h LYS 55 N 0.34 -0.04 -0.61 2.37 3.64 -0.09 0.24 116.57 122.42 1xg1 h LYS 55 Ca 0.09 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.40 1xg1 h LYS 55 Cb 0.36 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.17 1xg1 h LYS 55 CO 0.01 -0.02 0.09 0.22 -2.27 0.00 0.00 179.45 177.48 1xg1 h ASP 56 N -0.04 0.98 -0.81 4.20 1.82 -0.62 -2.95 116.42 119.00 1xg1 h ASP 56 Ca 0.09 -0.26 -0.00 0.00 -0.39 0.00 0.00 57.03 56.47 1xg1 h ASP 56 Cb 0.17 -0.26 -0.04 0.00 0.68 0.00 0.00 39.33 39.88 1xg1 h ASP 56 CO -0.20 1.00 0.50 -0.09 -1.61 0.00 0.00 179.24 178.84 1xg1 h ARG 57 N 0.93 1.09 -0.80 0.28 9.65 0.36 -2.37 114.38 123.52 1xg1 h ARG 57 Ca 0.19 -0.09 0.05 0.00 -1.10 0.00 0.00 59.98 59.03 1xg1 h ARG 57 Cb 0.44 -0.23 -0.06 0.00 -1.39 0.00 0.00 29.97 28.73 1xg1 h ARG 57 CO 0.01 0.75 0.49 2.35 2.80 0.00 0.00 179.97 186.38 1xg1 h TRP 58 N 1.11 0.91 -0.58 2.20 -0.00 -0.39 0.21 115.95 119.41 1xg1 h TRP 58 Ca 0.29 0.03 0.06 0.00 -0.00 0.00 0.00 58.89 59.27 1xg1 h TRP 58 Cb -0.07 -0.29 -0.05 0.00 -0.00 0.00 0.00 29.16 28.74 1xg1 h TRP 58 CO -0.01 0.47 0.29 -0.09 -0.00 0.00 0.00 178.44 179.10 1xg1 h ARG 59 N 0.91 0.52 -0.40 2.65 2.43 -1.36 -1.29 114.38 117.85 1xg1 h ARG 59 Ca 0.34 -0.03 -0.14 0.00 -0.81 0.00 0.00 59.98 59.34 1xg1 h ARG 59 Cb 0.13 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.55 1xg1 h ARG 59 CO -0.16 0.35 -0.32 1.79 -1.51 0.00 0.00 179.97 180.12 1xg1 h THR 60 N 0.54 1.27 -0.66 0.20 1.35 -1.02 -2.69 112.91 111.91 1xg1 h THR 60 Ca 0.27 -1.48 0.06 0.00 -0.55 0.00 0.00 66.41 64.71 1xg1 h THR 60 Cb 0.21 1.30 -0.05 0.00 -1.73 0.00 0.00 68.15 67.88 1xg1 h THR 60 CO -0.20 0.50 0.36 0.24 -0.25 0.00 0.00 175.52 176.17 1xg1 h MET 61 N 0.74 0.65 -0.64 4.72 2.86 0.15 0.11 114.93 123.54 1xg1 h MET 61 Ca 0.08 -0.04 -0.03 0.00 -2.06 0.00 0.00 59.70 57.65 1xg1 h MET 61 Cb 0.89 -0.15 -0.03 0.00 0.06 0.00 0.00 31.60 32.37 1xg1 h MET 61 CO 0.08 0.43 0.29 0.87 1.06 0.00 0.00 176.91 179.64 1xg1 h LYS 62 N 0.67 0.93 -0.90 1.72 1.57 -1.19 0.22 116.57 119.58 1xg1 h LYS 62 Ca 0.30 -0.15 -0.01 0.00 -1.87 0.00 0.00 60.65 58.91 1xg1 h LYS 62 Cb 0.18 -0.16 -0.04 0.00 0.08 0.00 0.00 32.23 32.29 1xg1 h LYS 62 CO -0.18 0.76 0.51 -0.09 -0.57 0.00 0.00 179.45 179.88 1xg1 h ARG 63 N 0.88 1.24 0.00 3.15 2.43 -0.94 -0.89 114.38 120.26 1xg1 h ARG 63 Ca 0.22 -0.13 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 1xg1 h ARG 63 Cb 0.15 -0.25 0.00 0.00 -0.42 0.00 0.00 29.97 29.45 1xg1 h ARG 63 CO -0.02 0.90 0.00 1.28 -1.51 0.00 0.00 179.97 180.61 1xg1 n LEU 64 N -4.36 0.00 -0.40 3.80 4.77 -0.08 -4.86 117.00 115.88 1xg1 n LEU 64 Ca 0.10 0.33 -0.03 0.00 -0.03 0.00 0.00 56.01 56.38 1xg1 n LEU 64 Cb 0.08 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 40.84 1xg1 n LEU 64 CO 0.38 -0.11 -0.02 0.61 -1.33 0.00 0.00 177.39 176.92 1xg1 n GLY 65 N 0.45 0.37 2.54 -0.72 0.00 -0.34 -4.95 105.19 102.54 1xg1 n GLY 65 Ca 0.08 -0.74 -0.35 0.00 0.00 0.00 0.00 46.02 45.01 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 -1.20 2.86 0.00 1.61 2.81 0.03 -5.02 117.12 118.21 1xg1 n MET 66 Ca -0.02 -3.56 0.00 0.00 -1.81 0.00 0.00 57.70 52.30 1xg1 n MET 66 Cb 0.52 -2.28 0.00 0.00 -0.71 0.00 0.00 33.22 30.75 1xg1 n MET 66 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77