#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 5.12 0.11 1.61 0.01 -1.26 -4.97 113.70 114.33 1xg1 s SER 2 Ca 0.00 -0.17 -0.02 0.00 1.31 0.00 0.00 55.95 57.08 1xg1 s SER 2 Cb 0.00 -1.90 -0.17 0.00 0.21 0.00 0.00 66.02 64.15 1xg1 s SER 2 CO 0.00 0.02 1.24 0.45 0.41 0.00 0.00 173.24 175.36 1xg1 h HIS 3 N 7.85 0.42 -1.70 2.43 -0.00 -2.12 -3.50 115.15 118.53 1xg1 h HIS 3 Ca -0.37 -0.27 0.00 0.00 -0.00 0.00 0.00 60.37 59.72 1xg1 h HIS 3 Cb 1.18 -0.03 0.00 0.00 -0.00 0.00 0.00 27.41 28.55 1xg1 h HIS 3 CO 0.64 1.16 -0.40 -1.33 -0.00 0.00 0.00 177.93 177.99 1xg1 n MET 4 N -3.59 -2.14 -2.08 2.45 2.00 -1.26 -4.93 117.12 107.58 1xg1 n MET 4 Ca -0.06 1.56 -0.40 0.00 0.00 0.00 0.00 57.70 58.80 1xg1 n MET 4 Cb 0.93 -1.73 -0.01 0.00 0.00 0.00 0.00 33.22 32.41 1xg1 n MET 4 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 175.97 174.76 1xg1 s GLU 5 N -3.76 4.12 0.16 0.03 0.41 -1.26 -4.93 118.70 113.47 1xg1 s GLU 5 Ca 0.00 2.18 -0.15 0.00 -0.41 0.00 0.00 54.97 56.59 1xg1 s GLU 5 Cb 0.00 -2.88 0.06 0.00 -1.78 0.00 0.00 34.13 29.53 1xg1 s GLU 5 CO 0.00 -0.37 1.81 0.22 -0.49 0.00 0.00 175.26 176.42 1xg1 h ASP 6 N 2.94 0.44 0.00 -0.19 1.82 -1.95 -3.46 116.42 116.03 1xg1 h ASP 6 Ca -0.49 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.15 1xg1 h ASP 6 Cb 1.24 -0.09 0.00 0.00 0.68 0.00 0.00 39.33 41.15 1xg1 h ASP 6 CO 0.64 0.32 0.00 -1.54 -1.61 0.00 0.00 179.24 177.04 1xg1 n SER 7 N -4.83 -1.78 0.00 2.28 3.41 -1.26 -5.01 113.62 106.44 1xg1 n SER 7 Ca 0.02 0.58 0.00 0.00 -0.26 0.00 0.00 58.87 59.21 1xg1 n SER 7 Cb 0.06 1.89 0.00 0.00 -0.26 0.00 0.00 64.21 65.90 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 -2.98 0.00 -3.47 6.66 -1.04 -1.26 -5.03 114.28 107.15 1xg1 n THR 8 Ca 0.00 0.00 -0.14 0.00 -2.04 0.00 0.00 64.05 61.87 1xg1 n THR 8 Cb 0.00 -0.01 -0.04 0.00 -1.82 0.00 0.00 70.33 68.46 1xg1 n THR 8 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 1xg1 s THR 9 N -1.19 0.00 -1.80 12.58 -1.32 -1.26 -5.03 115.64 117.64 1xg1 s THR 9 Ca 0.00 -0.03 0.15 0.00 -1.21 0.00 0.00 61.69 60.60 1xg1 s THR 9 Cb 0.00 -1.00 0.38 0.00 -1.51 0.00 0.00 72.50 70.37 1xg1 s THR 9 CO 0.00 -0.02 1.37 -0.46 -2.21 0.00 0.00 174.62 173.30 1xg1 n ASN 10 N 0.16 0.00 -1.71 8.08 2.04 -1.26 -3.01 115.26 119.57 1xg1 n ASN 10 Ca -0.18 -0.29 -0.14 0.00 -0.44 0.00 0.00 54.58 53.54 1xg1 n ASN 10 Cb 0.62 -0.10 0.08 0.00 -2.53 0.00 0.00 39.78 37.84 1xg1 n ASN 10 CO 0.00 0.00 0.00 2.30 -0.44 0.00 0.00 177.26 179.12 1xg1 n ILE 11 N -1.10 2.32 -2.74 1.53 -5.35 -1.26 -3.63 119.36 109.13 1xg1 n ILE 11 Ca 0.10 -1.18 -0.03 0.00 -0.27 0.00 0.00 62.75 61.37 1xg1 n ILE 11 Cb 0.08 -0.88 0.09 0.00 -1.74 0.00 0.00 39.64 37.18 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 -0.19 0.62 -1.15 7.28 -1.04 -1.16 -4.96 114.28 113.68 1xg1 n THR 12 Ca 0.31 -2.05 -0.18 0.00 -2.04 0.00 0.00 64.05 60.09 1xg1 n THR 12 Cb 0.97 1.09 -0.06 0.00 -1.82 0.00 0.00 70.33 70.50 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 -0.91 2.04 -3.74 -2.82 2.85 -1.24 -4.78 118.16 109.57 1xg1 n LYS 13 Ca -0.03 -1.62 -0.13 0.00 -1.05 0.00 0.00 58.31 55.48 1xg1 n LYS 13 Cb 0.84 -1.89 -0.10 0.00 -0.65 0.00 0.00 35.03 33.23 1xg1 n LYS 13 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 177.40 177.56 1xg1 s LYS 14 N -0.87 0.46 -1.16 -1.58 2.20 -1.26 -4.91 119.74 112.62 1xg1 s LYS 14 Ca 0.50 0.52 -0.04 0.00 -0.36 0.00 0.00 55.97 56.59 1xg1 s LYS 14 Cb 0.30 0.22 0.00 0.00 -1.51 0.00 0.00 37.83 36.85 1xg1 s LYS 14 CO -0.10 -0.06 0.99 1.04 -0.36 0.00 0.00 175.35 176.86 1xg1 n GLN 15 N 2.82 -6.62 -1.66 4.03 1.13 -1.26 -4.88 117.38 110.93 1xg1 n GLN 15 Ca -0.13 0.76 -0.43 0.00 -1.94 0.00 0.00 57.00 55.26 1xg1 n GLN 15 Cb 0.57 -5.56 -0.03 0.00 0.11 0.00 0.00 30.24 25.33 1xg1 n GLN 15 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1xg1 n LYS 16 N -4.21 2.82 -2.14 -1.09 5.02 -1.26 -4.91 118.16 112.39 1xg1 n LYS 16 Ca -0.13 1.03 -0.39 0.00 -2.02 0.00 0.00 58.31 56.80 1xg1 n LYS 16 Cb 0.61 -2.98 -0.01 0.00 -0.02 0.00 0.00 35.03 32.62 1xg1 n LYS 16 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 1xg1 s TRP 17 N 4.38 2.91 0.28 2.13 0.52 -1.26 -5.05 118.94 122.85 1xg1 s TRP 17 Ca 0.89 1.47 0.09 0.00 0.02 0.00 0.00 56.10 58.57 1xg1 s TRP 17 Cb -0.46 -3.57 -0.04 0.00 -1.15 0.00 0.00 33.47 28.26 1xg1 s TRP 17 CO 0.43 -1.80 0.05 0.95 0.02 0.00 0.00 176.95 176.60 1xg1 s THR 18 N -1.31 3.48 0.27 2.01 -4.23 -1.26 -5.01 115.64 109.58 1xg1 s THR 18 Ca 0.57 -1.81 -0.01 0.00 -1.18 0.00 0.00 61.69 59.27 1xg1 s THR 18 Cb -0.35 -2.94 0.25 0.00 1.34 0.00 0.00 72.50 70.79 1xg1 s THR 18 CO 0.45 -0.33 1.80 1.62 -0.54 0.00 0.00 174.62 177.62 1xg1 h VAL 19 N 1.77 0.84 -0.03 2.29 3.04 -1.98 -0.33 116.25 121.85 1xg1 h VAL 19 Ca -0.45 -0.27 0.01 0.00 -1.01 0.00 0.00 66.70 64.98 1xg1 h VAL 19 Cb 1.25 -0.02 -0.01 0.00 -2.01 0.00 0.00 31.29 30.50 1xg1 h VAL 19 CO 0.61 0.15 -0.02 -0.08 -1.01 0.00 0.00 177.57 177.22 1xg1 h GLU 20 N 0.80 -0.01 -0.31 4.17 4.81 -2.00 -1.19 114.58 120.84 1xg1 h GLU 20 Ca 0.46 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.63 1xg1 h GLU 20 Cb 0.53 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.89 1xg1 h GLU 20 CO -0.30 -0.01 -0.06 0.93 -0.73 0.00 0.00 179.01 178.85 1xg1 h GLU 21 N -0.02 0.49 0.00 1.92 5.08 -1.84 -2.18 114.58 118.04 1xg1 h GLU 21 Ca 0.02 -0.12 -0.05 0.00 -1.00 0.00 0.00 59.36 58.22 1xg1 h GLU 21 Cb 0.04 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 1xg1 h GLU 21 CO -0.04 0.56 -0.22 1.03 -1.00 0.00 0.00 179.01 179.34 1xg1 h SER 22 N 0.47 0.00 -0.39 1.42 0.87 -0.59 -2.78 113.55 112.55 1xg1 h SER 22 Ca 0.10 0.00 -0.14 0.00 -1.23 0.00 0.00 61.79 60.51 1xg1 h SER 22 Cb 0.39 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.35 1xg1 h SER 22 CO 0.02 0.22 -0.31 -0.33 -0.53 0.00 0.00 176.83 175.89 1xg1 h GLU 23 N 0.00 0.90 -0.59 2.24 4.39 -0.56 -3.11 114.58 117.86 1xg1 h GLU 23 Ca -0.00 -0.45 -0.10 0.00 0.34 0.00 0.00 59.36 59.15 1xg1 h GLU 23 Cb 0.63 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.26 1xg1 h GLU 23 CO 0.03 1.10 -0.03 -1.49 -1.16 0.00 0.00 179.01 177.46 1xg1 h TRP 24 N 0.72 1.17 -0.37 4.33 6.55 -1.46 -1.98 115.95 124.91 1xg1 h TRP 24 Ca 0.07 -0.21 -0.00 0.00 0.95 0.00 0.00 58.89 59.70 1xg1 h TRP 24 Cb 0.90 -0.30 -0.02 0.00 -0.86 0.00 0.00 29.16 28.88 1xg1 h TRP 24 CO 0.06 1.04 0.22 -0.39 -1.05 0.00 0.00 178.44 178.32 1xg1 h VAL 25 N 0.96 1.13 -0.56 1.49 -1.51 -1.52 0.34 116.25 116.57 1xg1 h VAL 25 Ca 0.16 -0.30 -0.07 0.00 -1.23 0.00 0.00 66.70 65.27 1xg1 h VAL 25 Cb 0.59 0.66 -0.02 0.00 -2.13 0.00 0.00 31.29 30.40 1xg1 h VAL 25 CO 0.04 0.13 0.08 0.50 -1.23 0.00 0.00 177.57 177.08 1xg1 h LYS 26 N 0.47 0.93 -0.34 5.19 3.64 -1.51 -1.56 116.57 123.40 1xg1 h LYS 26 Ca 0.13 -0.25 -0.08 0.00 -1.27 0.00 0.00 60.65 59.18 1xg1 h LYS 26 Cb 0.02 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.72 1xg1 h LYS 26 CO -0.02 0.90 -0.08 0.00 -2.27 0.00 0.00 179.45 177.97 1xg1 h ALA 27 N 0.99 0.47 -0.64 5.00 0.00 -1.08 -2.91 119.26 121.09 1xg1 h ALA 27 Ca 0.17 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 1xg1 h ALA 27 Cb 0.43 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 1xg1 h ALA 27 CO 0.01 0.32 0.21 0.78 0.00 0.00 0.00 179.25 180.57 1xg1 h GLY 28 N 0.45 1.04 1.65 0.00 0.00 -0.23 -0.12 103.07 105.86 1xg1 h GLY 28 Ca 0.09 -0.58 -0.01 0.00 0.00 0.00 0.00 47.33 46.82 1xg1 h GLY 28 CO 0.03 0.55 0.16 -2.08 0.00 0.00 0.00 176.54 175.20 1xg1 h VAL 29 N 0.94 1.12 0.01 4.60 2.07 -1.20 0.63 116.25 124.43 1xg1 h VAL 29 Ca 0.21 -0.34 -0.00 0.00 0.82 0.00 0.00 66.70 67.39 1xg1 h VAL 29 Cb 0.25 0.69 0.00 0.00 -1.52 0.00 0.00 31.29 30.72 1xg1 h VAL 29 CO -0.01 0.14 -0.01 -0.61 0.02 0.00 0.00 177.57 177.10 1xg1 h GLN 30 N 0.47 -0.02 0.04 1.57 4.15 -1.18 -2.24 115.11 117.90 1xg1 h GLN 30 Ca 0.12 0.00 -0.08 0.00 0.77 0.00 0.00 58.65 59.47 1xg1 h GLN 30 Cb 0.06 0.00 0.01 0.00 0.21 0.00 0.00 27.48 27.76 1xg1 h GLN 30 CO -0.02 0.76 -0.32 -0.22 -1.93 0.00 0.00 178.83 177.10 1xg1 h LYS 31 N -0.88 0.15 0.10 1.69 3.11 -0.90 -3.38 116.57 116.48 1xg1 h LYS 31 Ca -0.00 -0.21 -0.32 0.00 -2.81 0.00 0.00 60.65 57.31 1xg1 h LYS 31 Cb 0.79 0.07 -0.02 0.00 -1.00 0.00 0.00 32.23 32.07 1xg1 h LYS 31 CO 0.00 1.04 -1.68 1.88 -2.81 0.00 0.00 179.45 177.88 1xg1 h TYR 32 N -0.64 0.40 0.00 1.91 -1.99 0.02 -3.51 116.97 113.16 1xg1 h TYR 32 Ca -0.05 -0.29 0.00 0.00 2.00 0.00 0.00 58.73 60.39 1xg1 h TYR 32 Cb 1.18 -0.02 0.00 0.00 2.00 0.00 0.00 36.73 39.90 1xg1 h TYR 32 CO 0.22 1.43 0.00 0.41 -0.00 0.00 0.00 178.16 180.22 1xg1 n GLY 33 N 1.74 1.74 3.67 3.88 0.00 -0.57 -4.78 105.19 110.86 1xg1 n GLY 33 Ca -0.21 -1.40 -0.48 0.00 0.00 0.00 0.00 46.02 43.94 1xg1 n GLY 33 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1xg1 n GLU 34 N 2.90 2.08 0.00 1.61 0.28 -1.13 -2.35 120.64 124.04 1xg1 n GLU 34 Ca 0.00 0.76 0.00 0.00 -0.16 0.00 0.00 57.16 57.76 1xg1 n GLU 34 Cb 0.00 -2.55 0.00 0.00 1.43 0.00 0.00 31.44 30.32 1xg1 n GLU 34 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1xg1 n GLY 35 N 3.79 3.67 2.15 -1.84 0.00 -1.26 -4.97 105.19 106.74 1xg1 n GLY 35 Ca 0.20 -1.01 -0.18 0.00 0.00 0.00 0.00 46.02 45.02 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 5.89 -0.34 1.61 3.02 -0.99 -4.58 115.26 119.86 1xg1 n ASN 36 Ca 0.00 -2.68 -0.03 0.00 -0.03 0.00 0.00 54.58 51.84 1xg1 n ASN 36 Cb 0.00 -1.39 0.09 0.00 -0.61 0.00 0.00 39.78 37.88 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 3.20 1.17 -0.41 3.10 4.06 -1.89 -2.16 115.95 123.02 1xg1 h TRP 37 Ca 0.31 0.02 0.03 0.00 2.06 0.00 0.00 58.89 61.31 1xg1 h TRP 37 Cb 1.20 -0.39 -0.04 0.00 -1.00 0.00 0.00 29.16 28.93 1xg1 h TRP 37 CO 1.72 0.75 0.20 0.00 -3.56 0.00 0.00 178.44 177.55 1xg1 h ALA 38 N 1.33 0.51 -0.56 1.49 0.00 -1.87 0.13 119.26 120.29 1xg1 h ALA 38 Ca 0.33 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.22 1xg1 h ALA 38 Cb -0.12 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 1xg1 h ALA 38 CO -0.07 -0.16 0.17 0.00 0.00 0.00 0.00 179.25 179.19 1xg1 h ALA 39 N 1.22 1.25 -0.42 0.00 0.00 -1.87 -0.73 119.26 118.72 1xg1 h ALA 39 Ca 0.18 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 1xg1 h ALA 39 Cb 0.10 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1xg1 h ALA 39 CO -0.13 0.53 0.03 0.82 0.00 0.00 0.00 179.25 180.50 1xg1 h ILE 40 N 0.82 1.25 -0.84 0.00 2.04 -0.71 -1.80 117.51 118.27 1xg1 h ILE 40 Ca 0.19 -0.96 -0.03 0.00 1.00 0.00 0.00 64.86 65.06 1xg1 h ILE 40 Cb 0.25 1.06 -0.04 0.00 -0.74 0.00 0.00 36.82 37.35 1xg1 h ILE 40 CO -0.01 0.33 0.42 0.28 0.00 0.00 0.00 178.15 179.17 1xg1 h SER 41 N 0.56 1.09 0.45 1.72 0.02 -0.33 0.10 113.55 117.17 1xg1 h SER 41 Ca 0.12 -0.13 -0.02 0.00 -0.84 0.00 0.00 61.79 60.92 1xg1 h SER 41 Cb 0.43 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.70 1xg1 h SER 41 CO 0.02 0.91 -0.22 0.50 -1.14 0.00 0.00 176.83 176.90 1xg1 h LYS 42 N 1.19 -0.58 -0.01 3.45 1.63 -0.91 -3.36 116.57 117.98 1xg1 h LYS 42 Ca 0.29 0.04 -0.07 0.00 -0.85 0.00 0.00 60.65 60.06 1xg1 h LYS 42 Cb 0.10 0.13 0.00 0.00 -0.60 0.00 0.00 32.23 31.87 1xg1 h LYS 42 CO -0.04 -0.29 -0.25 -0.91 -3.45 0.00 0.00 179.45 174.50 1xg1 h ASN 43 N -0.81 0.23 -4.03 4.20 2.35 -1.31 -3.46 115.58 112.76 1xg1 h ASN 43 Ca -0.06 -0.76 -0.49 0.00 -0.55 0.00 0.00 56.30 54.44 1xg1 h ASN 43 Cb 0.55 -0.07 0.04 0.00 0.05 0.00 0.00 38.32 38.90 1xg1 h ASN 43 CO 0.10 0.96 0.43 -0.31 -1.65 0.00 0.00 177.43 176.96 1xg1 s TYR 44 N -3.19 2.95 0.00 1.19 1.51 0.36 -4.88 117.35 115.29 1xg1 s TYR 44 Ca -0.16 1.57 -0.01 0.00 -1.01 0.00 0.00 57.07 57.47 1xg1 s TYR 44 Cb 0.01 -3.21 -0.05 0.00 -0.11 0.00 0.00 41.96 38.60 1xg1 s TYR 44 CO 0.74 -1.12 1.37 -0.35 -1.11 0.00 0.00 175.55 175.08 1xg1 n PRO 45 N -0.72 0.67 -2.18 -1.71 -0.04 -1.26 -4.72 135.00 125.03 1xg1 n PRO 45 Ca 0.08 -0.19 -0.38 0.00 -0.04 0.00 0.00 63.50 62.97 1xg1 n PRO 45 Cb 0.50 -1.45 -0.03 0.00 -0.04 0.00 0.00 33.50 32.48 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 1.44 1.84 -0.13 0.54 0.08 -1.26 -4.96 117.98 115.53 1xg1 s PHE 46 Ca 0.13 0.53 -0.22 0.00 0.12 0.00 0.00 56.93 57.49 1xg1 s PHE 46 Cb 0.06 -4.23 -0.03 0.00 -0.57 0.00 0.00 43.02 38.24 1xg1 s PHE 46 CO 0.00 -2.20 0.64 0.54 -0.10 0.00 0.00 175.22 174.10 1xg1 s VAL 47 N 8.23 5.05 0.00 -0.44 0.11 -1.26 -4.12 120.40 127.96 1xg1 s VAL 47 Ca 0.59 1.27 0.00 0.00 -2.93 0.00 0.00 61.98 60.91 1xg1 s VAL 47 Cb -0.11 -3.97 0.00 0.00 -1.53 0.00 0.00 36.38 30.77 1xg1 s VAL 47 CO 0.17 0.20 0.00 0.59 -3.33 0.00 0.00 175.10 172.73 1xg1 n ASN 48 N 4.32 0.00 -4.71 3.54 5.03 -1.26 -4.93 115.26 117.24 1xg1 n ASN 48 Ca -0.02 0.00 -0.42 0.00 0.87 0.00 0.00 54.58 55.01 1xg1 n ASN 48 Cb 0.51 0.00 -0.03 0.00 -1.02 0.00 0.00 39.78 39.24 1xg1 n ASN 48 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 1xg1 s ARG 49 N 0.00 4.13 0.51 3.52 3.00 -1.26 -5.00 118.95 123.85 1xg1 s ARG 49 Ca 0.00 2.59 -0.02 0.00 0.00 0.00 0.00 55.73 58.30 1xg1 s ARG 49 Cb 0.00 -3.25 0.00 0.00 0.00 0.00 0.00 34.95 31.71 1xg1 s ARG 49 CO 0.00 -0.78 0.77 0.95 0.00 0.00 0.00 175.30 176.24 1xg1 s THR 50 N 1.68 3.75 0.30 0.02 -4.23 -1.26 -4.93 115.64 110.98 1xg1 s THR 50 Ca 0.77 -0.32 0.01 0.00 -1.18 0.00 0.00 61.69 60.96 1xg1 s THR 50 Cb -0.48 -3.43 0.15 0.00 1.34 0.00 0.00 72.50 70.08 1xg1 s THR 50 CO 0.33 -0.35 1.84 0.00 -0.54 0.00 0.00 174.62 175.90 1xg1 h ALA 51 N 0.15 1.28 -0.70 3.99 0.00 -1.94 -1.59 119.26 120.45 1xg1 h ALA 51 Ca -0.46 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.20 1xg1 h ALA 51 Cb 1.26 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.83 1xg1 h ALA 51 CO 0.58 0.50 0.25 0.28 0.00 0.00 0.00 179.25 180.86 1xg1 h VAL 52 N 0.67 1.24 -0.47 0.00 2.07 -1.94 0.22 116.25 118.05 1xg1 h VAL 52 Ca 0.15 -0.80 0.01 0.00 0.82 0.00 0.00 66.70 66.88 1xg1 h VAL 52 Cb 0.32 0.44 -0.02 0.00 -1.52 0.00 0.00 31.29 30.50 1xg1 h VAL 52 CO 0.00 0.32 0.31 0.24 0.02 0.00 0.00 177.57 178.46 1xg1 h MET 53 N 1.01 0.60 -0.39 1.57 2.07 -1.69 0.24 114.93 118.34 1xg1 h MET 53 Ca 0.23 -0.04 -0.05 0.00 -2.07 0.00 0.00 59.70 57.77 1xg1 h MET 53 Cb 0.23 -0.14 -0.02 0.00 -1.87 0.00 0.00 31.60 29.81 1xg1 h MET 53 CO -0.02 0.40 0.05 0.82 1.07 0.00 0.00 176.91 179.23 1xg1 h ILE 54 N 0.62 1.25 -0.09 -1.22 2.04 -0.84 0.35 117.51 119.62 1xg1 h ILE 54 Ca 0.18 -0.90 0.04 0.00 1.00 0.00 0.00 64.86 65.17 1xg1 h ILE 54 Cb -0.06 1.07 -0.04 0.00 -0.74 0.00 0.00 36.82 37.05 1xg1 h ILE 54 CO -0.05 0.31 -0.15 0.50 0.00 0.00 0.00 178.15 178.76 1xg1 h LYS 55 N 0.51 -0.20 -0.44 2.37 3.64 -0.06 0.46 116.57 122.86 1xg1 h LYS 55 Ca 0.12 0.01 -0.14 0.00 -1.27 0.00 0.00 60.65 59.38 1xg1 h LYS 55 Cb 0.40 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.25 1xg1 h LYS 55 CO 0.01 -0.13 -0.26 0.22 -2.27 0.00 0.00 179.45 177.02 1xg1 h ASP 56 N -0.20 0.96 -1.00 4.20 1.82 -0.46 -3.01 116.42 118.73 1xg1 h ASP 56 Ca 0.08 -0.38 0.06 0.00 -0.39 0.00 0.00 57.03 56.40 1xg1 h ASP 56 Cb 0.32 -0.27 -0.07 0.00 0.68 0.00 0.00 39.33 40.00 1xg1 h ASP 56 CO -0.21 1.16 0.65 -0.09 -1.61 0.00 0.00 179.24 179.13 1xg1 h ARG 57 N 0.79 1.16 -0.59 0.28 9.65 0.28 -1.23 114.38 124.71 1xg1 h ARG 57 Ca 0.09 -0.07 -0.04 0.00 -1.10 0.00 0.00 59.98 58.87 1xg1 h ARG 57 Cb 0.83 -0.26 -0.03 0.00 -1.39 0.00 0.00 29.97 29.12 1xg1 h ARG 57 CO 0.07 0.76 0.21 2.35 2.80 0.00 0.00 179.97 186.17 1xg1 h TRP 58 N 1.19 0.92 -0.61 2.20 -0.00 -0.80 -2.33 115.95 116.52 1xg1 h TRP 58 Ca 0.43 -0.08 0.06 0.00 -0.00 0.00 0.00 58.89 59.30 1xg1 h TRP 58 Cb 0.14 -0.27 -0.06 0.00 -0.00 0.00 0.00 29.16 28.97 1xg1 h TRP 58 CO -0.00 0.75 0.31 -0.09 -0.00 0.00 0.00 178.44 179.41 1xg1 h ARG 59 N 0.82 0.56 -0.53 2.65 2.43 -1.13 -0.73 114.38 118.45 1xg1 h ARG 59 Ca 0.19 -0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.34 1xg1 h ARG 59 Cb 0.24 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.63 1xg1 h ARG 59 CO -0.01 0.37 0.34 1.79 -1.51 0.00 0.00 179.97 180.94 1xg1 h THR 60 N 0.57 1.10 -0.38 0.20 1.35 -1.01 -0.32 112.91 114.42 1xg1 h THR 60 Ca 0.28 -0.23 -0.01 0.00 -0.55 0.00 0.00 66.41 65.89 1xg1 h THR 60 Cb 0.22 0.36 -0.02 0.00 -1.73 0.00 0.00 68.15 66.99 1xg1 h THR 60 CO -0.20 0.12 0.18 0.24 -0.25 0.00 0.00 175.52 175.61 1xg1 h MET 61 N 0.68 0.55 -0.81 4.72 2.86 -0.84 -1.35 114.93 120.74 1xg1 h MET 61 Ca 0.20 -0.08 0.02 0.00 -2.06 0.00 0.00 59.70 57.78 1xg1 h MET 61 Cb -0.04 -0.10 -0.04 0.00 0.06 0.00 0.00 31.60 31.48 1xg1 h MET 61 CO -0.06 0.49 0.53 0.87 1.06 0.00 0.00 176.91 179.80 1xg1 h LYS 62 N 0.48 1.03 -0.92 1.72 1.57 -0.85 0.47 116.57 120.07 1xg1 h LYS 62 Ca 0.13 -0.06 0.01 0.00 -1.87 0.00 0.00 60.65 58.85 1xg1 h LYS 62 Cb 0.12 -0.23 -0.05 0.00 0.08 0.00 0.00 32.23 32.15 1xg1 h LYS 62 CO -0.02 0.68 0.60 -0.09 -0.57 0.00 0.00 179.45 180.06 1xg1 h ARG 63 N 1.07 1.23 -0.00 3.15 2.43 -0.67 -0.75 114.38 120.83 1xg1 h ARG 63 Ca 0.30 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.39 1xg1 h ARG 63 Cb -0.08 -0.27 0.00 0.00 -0.42 0.00 0.00 29.97 29.19 1xg1 h ARG 63 CO -0.08 0.82 -0.04 1.28 -1.51 0.00 0.00 179.97 180.44 1xg1 n LEU 64 N -4.42 0.30 -1.50 3.80 4.77 -0.55 -4.91 117.00 114.49 1xg1 n LEU 64 Ca 0.10 0.03 -0.08 0.00 -0.03 0.00 0.00 56.01 56.04 1xg1 n LEU 64 Cb 0.02 -0.14 0.03 0.00 -2.33 0.00 0.00 43.42 41.00 1xg1 n LEU 64 CO 0.37 0.05 0.08 0.61 -1.33 0.00 0.00 177.39 177.17 1xg1 n GLY 65 N 1.19 0.47 1.74 -0.72 0.00 -0.20 -4.96 105.19 102.71 1xg1 n GLY 65 Ca 0.17 -0.38 -0.19 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.96 2.89 0.00 1.61 2.00 0.15 -4.99 117.12 116.82 1xg1 n MET 66 Ca 0.00 -3.74 0.07 0.00 0.00 0.00 0.00 57.70 54.03 1xg1 n MET 66 Cb 0.52 -2.12 0.41 0.00 0.00 0.00 0.00 33.22 32.03 1xg1 n MET 66 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 175.97 174.26