#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 0.00 -2.44 1.61 3.41 -1.26 -4.90 113.62 110.04 1xg1 n SER 2 Ca 0.00 0.00 -0.32 0.00 -0.26 0.00 0.00 58.87 58.29 1xg1 n SER 2 Cb 0.00 0.03 0.04 0.00 -0.26 0.00 0.00 64.21 64.02 1xg1 n SER 2 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xg1 n HIS 3 N -1.09 2.62 0.00 7.33 -0.00 -1.26 -4.38 115.22 118.44 1xg1 n HIS 3 Ca 0.00 -2.49 0.00 0.00 -0.00 0.00 0.00 57.72 55.23 1xg1 n HIS 3 Cb 0.00 -1.28 0.00 0.00 -0.00 0.00 0.00 29.99 28.71 1xg1 n HIS 3 CO 0.00 0.00 0.00 -0.12 -0.00 0.00 0.00 176.34 176.22 1xg1 n MET 4 N -0.33 0.00 -0.83 -1.40 0.00 -1.26 -5.01 117.12 108.29 1xg1 n MET 4 Ca 0.53 0.00 -0.23 0.00 0.00 0.00 0.00 57.70 57.99 1xg1 n MET 4 Cb 0.51 0.00 -0.03 0.00 0.00 0.00 0.00 33.22 33.70 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 -2.15 2.27 0.00 2.12 4.71 -1.26 -4.73 120.64 121.60 1xg1 n GLU 5 Ca 0.00 -1.48 0.00 0.00 -0.01 0.00 0.00 57.16 55.67 1xg1 n GLU 5 Cb 0.00 -2.43 0.00 0.00 -1.01 0.00 0.00 31.44 28.00 1xg1 n GLU 5 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1xg1 n ASP 6 N 3.87 0.00 0.05 1.62 8.00 -1.26 -4.82 116.55 124.01 1xg1 n ASP 6 Ca 0.48 0.00 -0.21 0.00 0.71 0.00 0.00 54.79 55.78 1xg1 n ASP 6 Cb 0.21 0.00 -0.15 0.00 -0.02 0.00 0.00 41.12 41.17 1xg1 n ASP 6 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1xg1 h SER 7 N 0.00 0.48 -1.03 -2.24 0.02 -2.01 -3.37 113.55 105.41 1xg1 h SER 7 Ca 0.00 -0.93 -0.73 0.00 -0.84 0.00 0.00 61.79 59.28 1xg1 h SER 7 Cb 0.00 -0.16 -0.11 0.00 0.14 0.00 0.00 62.40 62.27 1xg1 h SER 7 CO 0.00 1.46 2.56 0.35 -1.14 0.00 0.00 176.83 180.06 1xg1 n THR 8 N -4.05 5.05 -1.72 -2.27 -2.24 -1.26 -4.99 114.28 102.80 1xg1 n THR 8 Ca -0.16 -4.12 -0.42 0.00 -2.27 0.00 0.00 64.05 57.07 1xg1 n THR 8 Cb 0.86 -2.17 -0.03 0.00 -2.10 0.00 0.00 70.33 66.90 1xg1 n THR 8 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1xg1 n THR 9 N 2.10 0.18 0.34 4.28 -2.24 -1.26 -4.88 114.28 112.79 1xg1 n THR 9 Ca 0.62 -0.04 0.04 0.00 -2.27 0.00 0.00 64.05 62.40 1xg1 n THR 9 Cb 0.26 -1.98 -0.05 0.00 -2.10 0.00 0.00 70.33 66.45 1xg1 n THR 9 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1xg1 n ASN 10 N 3.66 0.62 0.00 3.42 0.23 -1.26 -4.46 115.26 117.47 1xg1 n ASN 10 Ca 0.15 -0.62 0.13 0.00 -0.53 0.00 0.00 54.58 53.70 1xg1 n ASN 10 Cb 0.35 1.03 0.74 0.00 -2.08 0.00 0.00 39.78 39.82 1xg1 n ASN 10 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1xg1 n ILE 11 N -1.24 0.07 0.02 1.53 3.06 -1.26 -3.01 119.36 118.53 1xg1 n ILE 11 Ca 0.01 0.02 -0.20 0.00 -2.50 0.00 0.00 62.75 60.08 1xg1 n ILE 11 Cb 0.13 -0.60 -0.14 0.00 0.54 0.00 0.00 39.64 39.57 1xg1 n ILE 11 CO 0.00 0.00 0.00 0.74 -2.50 0.00 0.00 176.55 174.79 1xg1 h THR 12 N 0.00 1.34 0.00 9.51 2.02 -1.99 -3.37 112.91 120.42 1xg1 h THR 12 Ca 0.00 -2.46 -0.48 0.00 0.77 0.00 0.00 66.41 64.23 1xg1 h THR 12 Cb 0.09 3.00 0.01 0.00 -1.74 0.00 0.00 68.15 69.51 1xg1 h THR 12 CO 0.00 0.69 2.76 2.29 0.37 0.00 0.00 175.52 181.63 1xg1 n LYS 13 N -4.10 2.80 -1.94 6.66 2.85 -1.16 -4.93 118.16 118.33 1xg1 n LYS 13 Ca -0.18 -1.71 -0.37 0.00 -1.05 0.00 0.00 58.31 55.00 1xg1 n LYS 13 Cb 0.82 -2.53 0.04 0.00 -0.65 0.00 0.00 35.03 32.71 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 2.48 2.97 0.00 -1.58 1.02 -1.26 -4.85 119.74 118.52 1xg1 s LYS 14 Ca 0.57 1.93 0.00 0.00 0.02 0.00 0.00 55.97 58.49 1xg1 s LYS 14 Cb 0.17 -1.99 0.00 0.00 -0.52 0.00 0.00 37.83 35.48 1xg1 s LYS 14 CO -0.04 -1.24 1.26 1.04 -0.92 0.00 0.00 175.35 175.45 1xg1 n GLN 15 N -1.49 0.65 -2.39 1.68 6.02 -1.26 -4.86 117.38 115.73 1xg1 n GLN 15 Ca 0.13 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.70 1xg1 n GLN 15 Cb 0.48 -1.17 -0.03 0.00 1.02 0.00 0.00 30.24 30.54 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 0.67 4.43 0.07 -1.09 2.20 -1.26 -4.95 119.74 119.81 1xg1 s LYS 16 Ca 0.00 1.81 -0.31 0.00 -0.36 0.00 0.00 55.97 57.11 1xg1 s LYS 16 Cb 0.00 -3.32 -0.08 0.00 -1.51 0.00 0.00 37.83 32.92 1xg1 s LYS 16 CO 0.00 -0.25 1.51 -1.58 -0.36 0.00 0.00 175.35 174.67 1xg1 s TRP 17 N 0.91 2.81 0.60 4.03 0.52 -1.26 -5.00 118.94 121.55 1xg1 s TRP 17 Ca 0.58 0.65 -0.09 0.00 0.02 0.00 0.00 56.10 57.27 1xg1 s TRP 17 Cb -0.31 -3.80 -0.02 0.00 -1.15 0.00 0.00 33.47 28.19 1xg1 s TRP 17 CO 0.30 -3.04 0.96 0.95 0.02 0.00 0.00 176.95 176.14 1xg1 s THR 18 N 2.06 4.37 0.14 2.01 -4.23 -1.26 -4.92 115.64 113.81 1xg1 s THR 18 Ca 0.68 0.51 -0.17 0.00 -1.18 0.00 0.00 61.69 61.53 1xg1 s THR 18 Cb -0.37 -3.73 -0.01 0.00 1.34 0.00 0.00 72.50 69.73 1xg1 s THR 18 CO 0.30 -0.88 1.77 0.58 -0.54 0.00 0.00 174.62 175.85 1xg1 h VAL 19 N -0.23 1.12 -0.77 2.29 2.07 -1.99 -1.18 116.25 117.56 1xg1 h VAL 19 Ca -0.45 -0.26 0.04 0.00 0.82 0.00 0.00 66.70 66.85 1xg1 h VAL 19 Cb 1.22 0.65 -0.05 0.00 -1.52 0.00 0.00 31.29 31.59 1xg1 h VAL 19 CO 0.62 0.12 0.48 -0.08 0.02 0.00 0.00 177.57 178.73 1xg1 h GLU 20 N 0.46 0.89 -0.12 1.57 4.57 -2.00 -0.52 114.58 119.44 1xg1 h GLU 20 Ca 0.13 -0.05 -0.13 0.00 -1.18 0.00 0.00 59.36 58.12 1xg1 h GLU 20 Cb -0.00 -0.20 -0.01 0.00 -0.16 0.00 0.00 28.75 28.38 1xg1 h GLU 20 CO -0.02 0.59 -0.50 0.93 -1.18 0.00 0.00 179.01 178.82 1xg1 h GLU 21 N 0.92 0.32 -0.26 1.92 5.08 -1.89 -2.88 114.58 117.80 1xg1 h GLU 21 Ca 0.32 -0.19 -0.12 0.00 -1.00 0.00 0.00 59.36 58.38 1xg1 h GLU 21 Cb 0.07 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 1xg1 h GLU 21 CO -0.14 0.76 -0.33 0.77 -1.00 0.00 0.00 179.01 179.07 1xg1 h SER 22 N 0.26 0.57 -0.63 1.42 0.02 -0.53 -2.86 113.55 111.79 1xg1 h SER 22 Ca 0.01 -0.22 -0.03 0.00 -0.84 0.00 0.00 61.79 60.71 1xg1 h SER 22 Cb 0.98 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 63.33 1xg1 h SER 22 CO 0.08 0.86 0.29 -0.33 -1.14 0.00 0.00 176.83 176.59 1xg1 h GLU 23 N 0.47 0.95 -0.65 3.45 5.08 -0.91 -2.80 114.58 120.18 1xg1 h GLU 23 Ca 0.05 -0.14 -0.04 0.00 -1.00 0.00 0.00 59.36 58.24 1xg1 h GLU 23 Cb 0.80 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.85 1xg1 h GLU 23 CO 0.06 0.76 0.27 -1.49 -1.00 0.00 0.00 179.01 177.62 1xg1 h TRP 24 N 0.94 0.99 -0.93 4.33 6.55 -1.36 -2.33 115.95 124.14 1xg1 h TRP 24 Ca 0.23 -0.07 0.03 0.00 0.95 0.00 0.00 58.89 60.03 1xg1 h TRP 24 Cb 0.14 -0.30 -0.05 0.00 -0.86 0.00 0.00 29.16 28.09 1xg1 h TRP 24 CO 0.01 0.77 0.61 -0.39 -1.05 0.00 0.00 178.44 178.39 1xg1 h VAL 25 N 0.92 1.18 -0.24 1.49 -1.51 -1.42 0.24 116.25 116.90 1xg1 h VAL 25 Ca 0.22 -0.41 -0.04 0.00 -1.23 0.00 0.00 66.70 65.24 1xg1 h VAL 25 Cb 0.19 -0.12 -0.01 0.00 -2.13 0.00 0.00 31.29 29.23 1xg1 h VAL 25 CO -0.02 0.22 -0.00 0.50 -1.23 0.00 0.00 177.57 177.04 1xg1 h LYS 26 N 1.19 0.43 -0.51 5.19 3.64 -1.43 -1.44 116.57 123.64 1xg1 h LYS 26 Ca 0.36 -0.14 -0.04 0.00 -1.27 0.00 0.00 60.65 59.57 1xg1 h LYS 26 Cb -0.02 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.74 1xg1 h LYS 26 CO -0.10 0.61 0.17 0.00 -2.27 0.00 0.00 179.45 177.86 1xg1 h ALA 27 N 0.81 0.66 -0.86 5.00 0.00 -0.93 -2.52 119.26 121.42 1xg1 h ALA 27 Ca 0.07 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1xg1 h ALA 27 Cb 0.41 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 1xg1 h ALA 27 CO 0.01 0.30 0.49 0.78 0.00 0.00 0.00 179.25 180.84 1xg1 h GLY 28 N 0.68 1.26 1.01 0.00 0.00 -0.44 0.22 103.07 105.81 1xg1 h GLY 28 Ca 0.17 -0.55 -0.02 0.00 0.00 0.00 0.00 47.33 46.93 1xg1 h GLY 28 CO -0.01 0.53 0.36 -2.08 0.00 0.00 0.00 176.54 175.34 1xg1 h VAL 29 N 1.19 1.22 -0.10 4.60 2.07 -1.00 0.62 116.25 124.86 1xg1 h VAL 29 Ca 0.30 -0.59 -0.11 0.00 0.82 0.00 0.00 66.70 67.12 1xg1 h VAL 29 Cb -0.01 0.33 0.00 0.00 -1.52 0.00 0.00 31.29 30.10 1xg1 h VAL 29 CO -0.05 0.25 -0.37 -0.61 0.02 0.00 0.00 177.57 176.81 1xg1 h GLN 30 N 0.97 0.43 0.01 1.57 4.15 -1.01 -2.13 115.11 119.10 1xg1 h GLN 30 Ca 0.24 -0.32 -0.05 0.00 0.77 0.00 0.00 58.65 59.29 1xg1 h GLN 30 Cb 0.07 0.06 -0.00 0.00 0.21 0.00 0.00 27.48 27.82 1xg1 h GLN 30 CO -0.04 0.95 -0.24 -0.22 -1.93 0.00 0.00 178.83 177.35 1xg1 h LYS 31 N -0.01 0.03 0.08 1.69 3.64 -0.48 -3.40 116.57 118.12 1xg1 h LYS 31 Ca -0.02 -0.04 -0.21 0.00 -1.27 0.00 0.00 60.65 59.11 1xg1 h LYS 31 Cb 1.00 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.83 1xg1 h LYS 31 CO 0.08 1.02 -1.08 1.88 -2.27 0.00 0.00 179.45 179.08 1xg1 h TYR 32 N -0.94 0.32 0.00 1.91 -1.99 0.04 -3.51 116.97 112.80 1xg1 h TYR 32 Ca -0.06 -0.23 0.00 0.00 2.00 0.00 0.00 58.73 60.44 1xg1 h TYR 32 Cb 1.10 -0.01 0.00 0.00 2.00 0.00 0.00 36.73 39.82 1xg1 h TYR 32 CO 0.25 1.42 0.00 0.41 -0.00 0.00 0.00 178.16 180.24 1xg1 n GLY 33 N 1.66 3.89 3.52 3.88 0.00 -0.72 -4.88 105.19 112.55 1xg1 n GLY 33 Ca -0.22 -1.34 -0.46 0.00 0.00 0.00 0.00 46.02 44.01 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 0.04 1.40 0.00 1.61 2.13 -1.13 -1.87 120.64 122.82 1xg1 n GLU 34 Ca 0.00 0.35 0.00 0.00 0.66 0.00 0.00 57.16 58.17 1xg1 n GLU 34 Cb 0.00 -2.87 0.00 0.00 0.27 0.00 0.00 31.44 28.84 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 6.17 3.25 2.18 8.31 0.00 -1.26 -5.00 105.19 118.84 1xg1 n GLY 35 Ca 0.37 -0.42 -0.23 0.00 0.00 0.00 0.00 46.02 45.74 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 6.50 -0.24 1.61 3.02 -0.78 -4.60 115.26 120.77 1xg1 n ASN 36 Ca 0.00 -2.65 -0.06 0.00 -0.03 0.00 0.00 54.58 51.84 1xg1 n ASN 36 Cb 0.00 -1.42 0.05 0.00 -0.61 0.00 0.00 39.78 37.79 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 3.61 0.86 -0.71 3.10 4.06 -1.88 -1.26 115.95 123.73 1xg1 h TRP 37 Ca 0.43 0.00 -0.04 0.00 2.06 0.00 0.00 58.89 61.34 1xg1 h TRP 37 Cb 1.01 -0.28 -0.03 0.00 -1.00 0.00 0.00 29.16 28.86 1xg1 h TRP 37 CO 1.76 0.58 0.30 0.00 -3.56 0.00 0.00 178.44 177.51 1xg1 h ALA 38 N 1.21 0.92 -0.66 1.49 0.00 -1.85 0.27 119.26 120.64 1xg1 h ALA 38 Ca 0.24 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1xg1 h ALA 38 Cb -0.04 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.44 1xg1 h ALA 38 CO -0.05 0.53 0.39 0.00 0.00 0.00 0.00 179.25 180.12 1xg1 h ALA 39 N 1.14 0.84 -0.31 0.00 0.00 -1.84 0.23 119.26 119.32 1xg1 h ALA 39 Ca 0.24 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1xg1 h ALA 39 Cb 0.19 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1xg1 h ALA 39 CO -0.02 0.33 0.12 0.82 0.00 0.00 0.00 179.25 180.50 1xg1 h ILE 40 N 0.90 1.18 -0.68 0.00 2.04 -0.78 -1.16 117.51 119.01 1xg1 h ILE 40 Ca 0.24 -0.56 -0.04 0.00 1.00 0.00 0.00 64.86 65.50 1xg1 h ILE 40 Cb -0.01 0.97 -0.03 0.00 -0.74 0.00 0.00 36.82 37.02 1xg1 h ILE 40 CO -0.04 0.19 0.26 -1.28 0.00 0.00 0.00 178.15 177.28 1xg1 h SER 41 N 0.35 0.93 -0.30 1.72 0.87 -0.54 0.37 113.55 116.94 1xg1 h SER 41 Ca 0.10 -0.14 -0.08 0.00 -1.23 0.00 0.00 61.79 60.44 1xg1 h SER 41 Cb 0.19 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 61.90 1xg1 h SER 41 CO -0.01 0.84 -0.13 0.50 -0.53 0.00 0.00 176.83 177.50 1xg1 h LYS 42 N 0.99 0.62 0.07 2.24 3.64 -0.30 -3.35 116.57 120.47 1xg1 h LYS 42 Ca 0.23 -0.26 -0.20 0.00 -1.27 0.00 0.00 60.65 59.14 1xg1 h LYS 42 Cb 0.21 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.00 1xg1 h LYS 42 CO -0.02 0.84 -1.05 -0.91 -2.27 0.00 0.00 179.45 176.04 1xg1 h ASN 43 N 0.38 0.23 -4.06 4.20 2.35 -1.10 -3.47 115.58 114.11 1xg1 h ASN 43 Ca 0.07 -0.81 -0.48 0.00 -0.55 0.00 0.00 56.30 54.53 1xg1 h ASN 43 Cb 0.64 -0.07 0.04 0.00 0.05 0.00 0.00 38.32 38.98 1xg1 h ASN 43 CO 0.04 1.45 0.41 -0.31 -1.65 0.00 0.00 177.43 177.36 1xg1 s TYR 44 N -2.40 2.92 0.00 1.19 1.51 0.13 -4.89 117.35 115.81 1xg1 s TYR 44 Ca -0.21 1.57 -0.02 0.00 -1.01 0.00 0.00 57.07 57.40 1xg1 s TYR 44 Cb 0.03 -3.15 -0.07 0.00 -0.11 0.00 0.00 41.96 38.66 1xg1 s TYR 44 CO 0.72 -1.06 1.47 -0.35 -1.11 0.00 0.00 175.55 175.22 1xg1 n PRO 45 N -0.96 0.70 -2.33 -1.71 -0.04 -1.26 -4.73 135.00 124.67 1xg1 n PRO 45 Ca 0.09 -0.26 -0.42 0.00 -0.04 0.00 0.00 63.50 62.88 1xg1 n PRO 45 Cb 0.52 -1.53 -0.03 0.00 -0.04 0.00 0.00 33.50 32.41 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 1.67 3.37 -0.23 0.54 0.08 -1.26 -5.01 117.98 117.15 1xg1 s PHE 46 Ca 0.17 1.22 -0.08 0.00 0.12 0.00 0.00 56.93 58.37 1xg1 s PHE 46 Cb 0.08 -3.50 -0.04 0.00 -0.57 0.00 0.00 43.02 38.99 1xg1 s PHE 46 CO 0.00 -1.60 0.08 0.54 -0.10 0.00 0.00 175.22 174.14 1xg1 s VAL 47 N 0.81 4.59 0.00 -0.44 0.11 -1.26 -4.58 120.40 119.62 1xg1 s VAL 47 Ca 0.59 -0.09 0.00 0.00 -2.93 0.00 0.00 61.98 59.55 1xg1 s VAL 47 Cb -0.32 -3.12 0.00 0.00 -1.53 0.00 0.00 36.38 31.40 1xg1 s VAL 47 CO 0.31 0.37 0.00 -0.46 -3.33 0.00 0.00 175.10 171.99 1xg1 n ASN 48 N 4.45 0.00 -4.73 3.54 0.23 -1.26 -4.92 115.26 112.56 1xg1 n ASN 48 Ca -0.16 0.00 -0.42 0.00 -0.53 0.00 0.00 54.58 53.47 1xg1 n ASN 48 Cb 0.52 -0.25 -0.03 0.00 -2.08 0.00 0.00 39.78 37.95 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 4.26 0.56 -3.83 3.00 -1.26 -5.02 118.95 116.66 1xg1 s ARG 49 Ca 0.00 2.30 0.08 0.00 0.00 0.00 0.00 55.73 58.10 1xg1 s ARG 49 Cb 0.00 -3.13 0.08 0.00 0.00 0.00 0.00 34.95 31.89 1xg1 s ARG 49 CO 0.00 -0.47 0.78 0.95 0.00 0.00 0.00 175.30 176.55 1xg1 s THR 50 N 0.41 2.32 0.18 0.02 -4.23 -1.26 -4.97 115.64 108.10 1xg1 s THR 50 Ca 0.63 -0.94 -0.11 0.00 -1.18 0.00 0.00 61.69 60.09 1xg1 s THR 50 Cb -0.42 -2.38 0.08 0.00 1.34 0.00 0.00 72.50 71.12 1xg1 s THR 50 CO 0.39 0.00 1.73 0.00 -0.54 0.00 0.00 174.62 176.20 1xg1 h ALA 51 N 0.17 0.80 -0.80 3.99 0.00 -1.93 -2.24 119.26 119.26 1xg1 h ALA 51 Ca -0.33 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.41 1xg1 h ALA 51 Cb 1.28 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.80 1xg1 h ALA 51 CO 0.42 0.42 0.50 0.28 0.00 0.00 0.00 179.25 180.87 1xg1 h VAL 52 N 0.86 1.22 -0.57 0.00 2.07 -1.95 0.26 116.25 118.14 1xg1 h VAL 52 Ca 0.20 -0.45 -0.01 0.00 0.82 0.00 0.00 66.70 67.26 1xg1 h VAL 52 Cb 0.22 0.07 -0.03 0.00 -1.52 0.00 0.00 31.29 30.03 1xg1 h VAL 52 CO -0.02 0.22 0.31 0.24 0.02 0.00 0.00 177.57 178.34 1xg1 h MET 53 N 1.10 0.79 -0.39 1.57 2.07 -1.84 0.16 114.93 118.39 1xg1 h MET 53 Ca 0.29 -0.10 -0.09 0.00 -2.07 0.00 0.00 59.70 57.74 1xg1 h MET 53 Cb -0.07 -0.15 -0.01 0.00 -1.87 0.00 0.00 31.60 29.49 1xg1 h MET 53 CO -0.06 0.61 -0.09 0.82 1.07 0.00 0.00 176.91 179.26 1xg1 h ILE 54 N 0.76 1.28 -0.25 -1.22 2.04 -0.75 0.44 117.51 119.81 1xg1 h ILE 54 Ca 0.20 -1.17 0.04 0.00 1.00 0.00 0.00 64.86 64.92 1xg1 h ILE 54 Cb 0.06 1.23 -0.04 0.00 -0.74 0.00 0.00 36.82 37.33 1xg1 h ILE 54 CO -0.03 0.39 0.02 0.50 0.00 0.00 0.00 178.15 179.03 1xg1 h LYS 55 N 0.56 0.10 -0.42 2.37 3.64 -0.14 0.18 116.57 122.87 1xg1 h LYS 55 Ca 0.10 -0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.41 1xg1 h LYS 55 Cb 0.61 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.39 1xg1 h LYS 55 CO 0.04 0.06 -0.01 0.22 -2.27 0.00 0.00 179.45 177.50 1xg1 h ASP 56 N 0.10 0.73 -0.67 4.20 1.82 -0.57 -2.91 116.42 119.12 1xg1 h ASP 56 Ca 0.12 -0.31 0.03 0.00 -0.39 0.00 0.00 57.03 56.47 1xg1 h ASP 56 Cb 0.14 -0.20 -0.04 0.00 0.68 0.00 0.00 39.33 39.91 1xg1 h ASP 56 CO -0.18 0.86 0.42 -0.09 -1.61 0.00 0.00 179.24 178.64 1xg1 h ARG 57 N 0.57 0.79 -0.49 0.28 9.65 0.52 -0.01 114.38 125.69 1xg1 h ARG 57 Ca 0.12 -0.05 -0.01 0.00 -1.10 0.00 0.00 59.98 58.94 1xg1 h ARG 57 Cb 0.49 -0.18 -0.02 0.00 -1.39 0.00 0.00 29.97 28.87 1xg1 h ARG 57 CO 0.02 0.52 0.29 2.35 2.80 0.00 0.00 179.97 185.95 1xg1 h TRP 58 N 0.81 0.66 -0.35 2.20 -0.00 -0.60 0.79 115.95 119.45 1xg1 h TRP 58 Ca 0.27 -0.01 0.04 0.00 -0.00 0.00 0.00 58.89 59.19 1xg1 h TRP 58 Cb 0.03 -0.21 -0.04 0.00 -0.00 0.00 0.00 29.16 28.93 1xg1 h TRP 58 CO -0.05 0.47 0.13 0.00 -0.00 0.00 0.00 178.44 178.99 1xg1 h ARG 59 N 0.65 0.27 -0.69 2.65 3.08 -1.20 -0.35 114.38 118.79 1xg1 h ARG 59 Ca 0.17 -0.02 -0.04 0.00 0.07 0.00 0.00 59.98 60.17 1xg1 h ARG 59 Cb 0.01 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 29.97 1xg1 h ARG 59 CO -0.03 0.18 0.28 1.79 -1.07 0.00 0.00 179.97 181.12 1xg1 h THR 60 N 0.28 1.24 -0.70 2.04 1.35 -0.53 -0.33 112.91 116.27 1xg1 h THR 60 Ca 0.16 -0.75 -0.03 0.00 -0.55 0.00 0.00 66.41 65.24 1xg1 h THR 60 Cb 0.13 0.44 -0.03 0.00 -1.73 0.00 0.00 68.15 66.97 1xg1 h THR 60 CO -0.16 0.30 0.31 0.24 -0.25 0.00 0.00 175.52 175.96 1xg1 h MET 61 N 0.98 1.02 -0.62 4.72 2.86 -0.33 0.17 114.93 123.73 1xg1 h MET 61 Ca 0.23 -0.16 -0.04 0.00 -2.06 0.00 0.00 59.70 57.67 1xg1 h MET 61 Cb 0.20 -0.18 -0.03 0.00 0.06 0.00 0.00 31.60 31.65 1xg1 h MET 61 CO -0.02 0.82 0.22 0.87 1.06 0.00 0.00 176.91 179.86 1xg1 h LYS 62 N 0.98 0.94 0.01 1.72 1.57 -0.77 0.59 116.57 121.61 1xg1 h LYS 62 Ca 0.24 -0.19 -0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1xg1 h LYS 62 Cb 0.15 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.32 1xg1 h LYS 62 CO -0.03 0.82 -0.00 -0.09 -0.57 0.00 0.00 179.45 179.58 1xg1 h ARG 63 N 0.88 -0.01 0.00 3.15 2.43 -0.50 -2.81 114.38 117.51 1xg1 h ARG 63 Ca 0.20 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.29 1xg1 h ARG 63 Cb 0.25 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.79 1xg1 h ARG 63 CO -0.01 0.09 -0.39 -0.07 -1.51 0.00 0.00 179.97 178.08 1xg1 h LEU 64 N -0.11 0.00 -0.15 3.80 3.38 -0.53 -3.47 115.31 118.23 1xg1 h LEU 64 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 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 0.00 0.39 0.00 0.61 0.09 0.00 0.00 178.44 179.53 1xg1 n GLY 65 N -0.05 1.21 2.39 0.83 0.00 0.10 -5.00 105.19 104.67 1xg1 n GLY 65 Ca -0.01 -0.17 -0.34 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.42 2.64 0.00 1.61 2.81 0.17 -5.00 117.12 118.92 1xg1 n MET 66 Ca 0.00 -3.20 0.00 0.00 -1.81 0.00 0.00 57.70 52.69 1xg1 n MET 66 Cb 0.11 -2.24 0.00 0.00 -0.71 0.00 0.00 33.22 30.38 1xg1 n MET 66 CO 0.00 0.00 0.00 0.27 1.51 0.00 0.00 175.97 177.75