#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 -3.64 1.61 3.41 -1.26 -4.62 113.62 109.12 1xg1 n SER 2 Ca 0.00 0.00 -0.05 0.00 -0.26 0.00 0.00 58.87 58.56 1xg1 n SER 2 Cb 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 1xg1 n SER 2 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1xg1 s HIS 3 N 0.00 -1.13 0.13 7.33 4.02 -1.26 -4.91 115.29 119.47 1xg1 s HIS 3 Ca 0.00 2.15 0.18 0.00 1.02 0.00 0.00 55.06 58.41 1xg1 s HIS 3 Cb 0.00 0.67 0.57 0.00 -1.02 0.00 0.00 32.58 32.81 1xg1 s HIS 3 CO 0.00 -0.56 1.68 0.00 1.02 0.00 0.00 174.74 176.88 1xg1 h MET 4 N 7.26 0.00 -6.80 1.40 -0.00 -2.04 -3.45 114.93 111.29 1xg1 h MET 4 Ca -0.26 0.00 -0.55 0.00 -0.00 0.00 0.00 59.70 58.89 1xg1 h MET 4 Cb 1.19 0.00 0.10 0.00 -0.00 0.00 0.00 31.60 32.89 1xg1 h MET 4 CO 0.14 0.41 0.76 0.39 -0.00 0.00 0.00 176.91 178.62 1xg1 n GLU 5 N -3.49 2.53 -2.52 -0.10 1.02 -1.26 -4.97 120.64 111.85 1xg1 n GLU 5 Ca 0.00 0.90 -0.35 0.00 -0.02 0.00 0.00 57.16 57.69 1xg1 n GLU 5 Cb 0.55 -2.62 -0.03 0.00 -0.02 0.00 0.00 31.44 29.32 1xg1 n GLU 5 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1xg1 s ASP 6 N 0.17 6.41 -0.98 1.62 2.15 -1.26 -4.04 116.67 120.74 1xg1 s ASP 6 Ca 0.60 1.98 -0.02 0.00 0.43 0.00 0.00 52.55 55.54 1xg1 s ASP 6 Cb -0.52 -2.57 -0.03 0.00 -0.30 0.00 0.00 42.92 39.50 1xg1 s ASP 6 CO 0.55 -0.73 0.84 -1.20 -0.17 0.00 0.00 175.17 174.46 1xg1 n SER 7 N -0.74 -3.94 0.26 -0.34 7.64 -1.26 -4.91 113.62 110.34 1xg1 n SER 7 Ca 0.08 -0.58 0.13 0.00 1.01 0.00 0.00 58.87 59.51 1xg1 n SER 7 Cb 0.52 -4.57 0.72 0.00 -1.01 0.00 0.00 64.21 59.87 1xg1 n SER 7 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 1xg1 h THR 8 N -1.32 0.55 -3.54 0.44 1.35 -1.95 -3.44 112.91 105.00 1xg1 h THR 8 Ca -0.52 -0.53 -0.56 0.00 -0.55 0.00 0.00 66.41 64.24 1xg1 h THR 8 Cb 1.28 1.35 0.12 0.00 -1.73 0.00 0.00 68.15 69.17 1xg1 h THR 8 CO 0.41 0.11 0.54 0.41 -0.25 0.00 0.00 175.52 176.75 1xg1 n THR 9 N -3.63 2.33 -0.42 6.82 -1.04 -1.26 -4.80 114.28 112.28 1xg1 n THR 9 Ca -0.02 -0.50 -0.06 0.00 -2.04 0.00 0.00 64.05 61.43 1xg1 n THR 9 Cb 0.24 -1.63 -0.06 0.00 -1.82 0.00 0.00 70.33 67.05 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 0.39 2.26 -1.19 8.00 2.04 -1.26 -4.52 115.26 120.98 1xg1 n ASN 10 Ca 0.05 -1.93 -0.04 0.00 -0.44 0.00 0.00 54.58 52.22 1xg1 n ASN 10 Cb 0.38 -0.61 0.04 0.00 -2.53 0.00 0.00 39.78 37.07 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 2.93 1.33 0.03 1.53 -5.35 -1.26 -4.06 119.36 114.51 1xg1 n ILE 11 Ca 0.19 -0.36 0.00 0.00 -0.27 0.00 0.00 62.75 62.31 1xg1 n ILE 11 Cb 0.35 -0.85 0.00 0.00 -1.74 0.00 0.00 39.64 37.41 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 0.17 0.00 -3.53 7.28 -1.04 -1.26 -5.07 114.28 110.83 1xg1 n THR 12 Ca 0.11 0.00 -0.23 0.00 -2.04 0.00 0.00 64.05 61.89 1xg1 n THR 12 Cb 0.70 -0.07 0.05 0.00 -1.82 0.00 0.00 70.33 69.19 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 -2.62 -2.46 -1.56 -2.82 5.02 -1.26 -4.81 118.16 107.66 1xg1 n LYS 13 Ca 0.00 0.64 -0.41 0.00 -2.02 0.00 0.00 58.31 56.52 1xg1 n LYS 13 Cb 0.00 -4.97 -0.04 0.00 -0.02 0.00 0.00 35.03 30.00 1xg1 n LYS 13 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1xg1 n LYS 14 N -3.87 1.40 0.21 1.97 5.02 -1.26 -4.81 118.16 116.81 1xg1 n LYS 14 Ca -0.13 0.26 0.08 0.00 -2.02 0.00 0.00 58.31 56.50 1xg1 n LYS 14 Cb 0.62 -3.17 0.40 0.00 -0.02 0.00 0.00 35.03 32.85 1xg1 n LYS 14 CO 0.00 0.00 0.00 1.96 -0.52 0.00 0.00 177.40 178.84 1xg1 h GLN 15 N 16.59 0.00 -6.30 1.97 1.08 -2.00 -3.43 115.11 123.02 1xg1 h GLN 15 Ca -0.31 0.00 -0.54 0.00 -1.45 0.00 0.00 58.65 56.35 1xg1 h GLN 15 Cb 1.26 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.69 1xg1 h GLN 15 CO 1.07 0.29 1.08 -1.59 -0.95 0.00 0.00 178.83 178.73 1xg1 s LYS 16 N -3.63 4.18 -0.00 1.46 -2.85 -1.26 -4.98 119.74 112.66 1xg1 s LYS 16 Ca 0.00 2.24 0.02 0.00 -1.00 0.00 0.00 55.97 57.23 1xg1 s LYS 16 Cb 0.11 -3.94 -0.00 0.00 -2.06 0.00 0.00 37.83 31.93 1xg1 s LYS 16 CO 0.66 -0.83 -0.05 -1.58 0.10 0.00 0.00 175.35 173.65 1xg1 s TRP 17 N 3.84 0.47 0.52 1.78 0.52 -1.26 -5.14 118.94 119.66 1xg1 s TRP 17 Ca 0.75 -0.09 -0.18 0.00 0.02 0.00 0.00 56.10 56.60 1xg1 s TRP 17 Cb -0.35 -0.30 -0.07 0.00 -1.15 0.00 0.00 33.47 31.60 1xg1 s TRP 17 CO 0.31 -0.01 1.02 0.95 0.02 0.00 0.00 176.95 179.24 1xg1 s THR 18 N -0.13 4.08 0.28 2.01 -4.23 -1.26 -4.93 115.64 111.46 1xg1 s THR 18 Ca 0.02 1.11 -0.03 0.00 -1.18 0.00 0.00 61.69 61.61 1xg1 s THR 18 Cb -0.02 -3.52 0.25 0.00 1.34 0.00 0.00 72.50 70.54 1xg1 s THR 18 CO -0.00 -0.46 1.94 1.62 -0.54 0.00 0.00 174.62 177.17 1xg1 h VAL 19 N 1.07 1.23 0.40 2.29 3.04 -2.01 -2.15 116.25 120.12 1xg1 h VAL 19 Ca -0.48 -0.47 -0.02 0.00 -1.01 0.00 0.00 66.70 64.73 1xg1 h VAL 19 Cb 1.20 0.02 0.00 0.00 -2.01 0.00 0.00 31.29 30.51 1xg1 h VAL 19 CO 0.59 0.23 -0.20 -0.08 -1.01 0.00 0.00 177.57 177.10 1xg1 h GLU 20 N 1.15 -0.53 -0.95 4.17 4.81 -1.99 0.87 114.58 122.11 1xg1 h GLU 20 Ca 0.30 0.04 0.04 0.00 -0.13 0.00 0.00 59.36 59.61 1xg1 h GLU 20 Cb -0.08 0.12 -0.06 0.00 0.63 0.00 0.00 28.75 29.37 1xg1 h GLU 20 CO -0.06 -0.36 0.62 0.93 -0.73 0.00 0.00 179.01 179.41 1xg1 h GLU 21 N -0.55 1.15 -0.37 1.92 5.08 -1.92 -1.94 114.58 117.93 1xg1 h GLU 21 Ca -0.05 -0.07 -0.12 0.00 -1.00 0.00 0.00 59.36 58.12 1xg1 h GLU 21 Cb 0.43 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 1xg1 h GLU 21 CO 0.08 0.76 -0.26 0.77 -1.00 0.00 0.00 179.01 179.36 1xg1 h SER 22 N 1.18 0.79 -0.40 1.42 0.02 -1.15 -2.87 113.55 112.54 1xg1 h SER 22 Ca 0.38 -0.30 -0.01 0.00 -0.84 0.00 0.00 61.79 61.02 1xg1 h SER 22 Cb 0.03 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.33 1xg1 h SER 22 CO -0.12 1.01 0.21 -0.33 -1.14 0.00 0.00 176.83 176.46 1xg1 h GLU 23 N 0.66 0.59 -0.54 3.45 4.39 -0.05 -2.47 114.58 120.62 1xg1 h GLU 23 Ca 0.08 -0.06 -0.02 0.00 0.34 0.00 0.00 59.36 59.70 1xg1 h GLU 23 Cb 0.78 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 29.28 1xg1 h GLU 23 CO 0.06 0.46 0.25 -1.49 -1.16 0.00 0.00 179.01 177.13 1xg1 h TRP 24 N 0.60 0.78 -0.76 4.33 6.55 -1.24 -2.28 115.95 123.93 1xg1 h TRP 24 Ca 0.15 -0.04 0.01 0.00 0.95 0.00 0.00 58.89 59.96 1xg1 h TRP 24 Cb 0.05 -0.24 -0.04 0.00 -0.86 0.00 0.00 29.16 28.08 1xg1 h TRP 24 CO 0.00 0.62 0.50 -0.39 -1.05 0.00 0.00 178.44 178.12 1xg1 h VAL 25 N 0.72 1.20 -0.32 1.49 -1.51 -1.42 0.18 116.25 116.59 1xg1 h VAL 25 Ca 0.18 -0.36 -0.01 0.00 -1.23 0.00 0.00 66.70 65.28 1xg1 h VAL 25 Cb 0.13 0.08 -0.01 0.00 -2.13 0.00 0.00 31.29 29.36 1xg1 h VAL 25 CO -0.02 0.19 0.16 0.50 -1.23 0.00 0.00 177.57 177.17 1xg1 h LYS 26 N 1.03 0.46 -0.34 5.19 3.64 -1.26 0.12 116.57 125.41 1xg1 h LYS 26 Ca 0.28 -0.06 -0.10 0.00 -1.27 0.00 0.00 60.65 59.49 1xg1 h LYS 26 Cb -0.12 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.61 1xg1 h LYS 26 CO -0.06 0.42 -0.17 0.00 -2.27 0.00 0.00 179.45 177.36 1xg1 h ALA 27 N 1.02 0.48 -0.82 5.00 0.00 -0.87 -3.00 119.26 121.06 1xg1 h ALA 27 Ca 0.11 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 1xg1 h ALA 27 Cb 0.11 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 1xg1 h ALA 27 CO -0.01 0.40 0.42 0.78 0.00 0.00 0.00 179.25 180.83 1xg1 h GLY 28 N 0.49 1.25 1.28 0.00 0.00 -0.49 0.72 103.07 106.32 1xg1 h GLY 28 Ca 0.07 -0.60 -0.01 0.00 0.00 0.00 0.00 47.33 46.80 1xg1 h GLY 28 CO 0.05 0.57 0.39 -2.08 0.00 0.00 0.00 176.54 175.48 1xg1 h VAL 29 N 1.15 1.20 0.18 4.60 2.07 -0.93 0.59 116.25 125.11 1xg1 h VAL 29 Ca 0.28 -0.49 -0.28 0.00 0.82 0.00 0.00 66.70 67.04 1xg1 h VAL 29 Cb 0.08 0.25 0.03 0.00 -1.52 0.00 0.00 31.29 30.13 1xg1 h VAL 29 CO -0.04 0.22 -1.21 -0.61 0.02 0.00 0.00 177.57 175.95 1xg1 h GLN 30 N 0.96 0.50 0.01 1.57 4.15 -1.32 -2.02 115.11 118.96 1xg1 h GLN 30 Ca 0.25 -0.78 -0.02 0.00 0.77 0.00 0.00 58.65 58.87 1xg1 h GLN 30 Cb 0.00 0.28 0.00 0.00 0.21 0.00 0.00 27.48 27.97 1xg1 h GLN 30 CO -0.04 1.36 -0.07 -0.22 -1.93 0.00 0.00 178.83 177.93 1xg1 h LYS 31 N 0.03 0.03 0.14 1.69 3.64 -0.68 -3.39 116.57 118.03 1xg1 h LYS 31 Ca -0.20 -0.05 -0.31 0.00 -1.27 0.00 0.00 60.65 58.82 1xg1 h LYS 31 Cb 1.94 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.77 1xg1 h LYS 31 CO 0.23 0.96 -1.57 1.88 -2.27 0.00 0.00 179.45 178.68 1xg1 h TYR 32 N -0.88 0.55 0.00 1.91 -1.99 -0.02 -3.51 116.97 113.03 1xg1 h TYR 32 Ca -0.01 -0.40 0.00 0.00 2.00 0.00 0.00 58.73 60.32 1xg1 h TYR 32 Cb 1.00 -0.02 0.00 0.00 2.00 0.00 0.00 36.73 39.70 1xg1 h TYR 32 CO 0.25 1.62 0.00 0.41 -0.00 0.00 0.00 178.16 180.44 1xg1 n GLY 33 N 1.80 2.97 3.62 3.88 0.00 -0.78 -4.89 105.19 111.79 1xg1 n GLY 33 Ca -0.25 -1.38 -0.50 0.00 0.00 0.00 0.00 46.02 43.89 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 1.26 1.48 0.00 1.61 2.13 -1.10 -2.26 120.64 123.75 1xg1 n GLU 34 Ca 0.00 0.53 0.00 0.00 0.66 0.00 0.00 57.16 58.35 1xg1 n GLU 34 Cb 0.00 -2.20 0.00 0.00 0.27 0.00 0.00 31.44 29.51 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 2.75 2.38 2.17 8.31 0.00 -1.26 -4.96 105.19 114.57 1xg1 n GLY 35 Ca 0.18 -0.79 -0.23 0.00 0.00 0.00 0.00 46.02 45.17 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 0.09 6.63 -0.19 1.61 3.02 -0.96 -4.57 115.26 120.89 1xg1 n ASN 36 Ca 0.00 -2.61 -0.04 0.00 -0.03 0.00 0.00 54.58 51.89 1xg1 n ASN 36 Cb 0.00 -1.44 0.13 0.00 -0.61 0.00 0.00 39.78 37.86 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 3.72 1.01 -0.35 3.10 4.06 -1.89 -1.91 115.95 123.70 1xg1 h TRP 37 Ca 0.46 -0.10 -0.01 0.00 2.06 0.00 0.00 58.89 61.30 1xg1 h TRP 37 Cb 0.99 -0.29 -0.02 0.00 -1.00 0.00 0.00 29.16 28.84 1xg1 h TRP 37 CO 1.78 0.82 0.19 0.00 -3.56 0.00 0.00 178.44 177.67 1xg1 h ALA 38 N 1.25 0.44 -0.60 1.49 0.00 -1.86 0.11 119.26 120.09 1xg1 h ALA 38 Ca 0.21 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1xg1 h ALA 38 Cb 0.30 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 1xg1 h ALA 38 CO -0.00 -0.03 0.30 0.00 0.00 0.00 0.00 179.25 179.51 1xg1 h ALA 39 N 1.06 0.77 -0.40 0.00 0.00 -1.89 -0.29 119.26 118.51 1xg1 h ALA 39 Ca 0.12 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1xg1 h ALA 39 Cb 0.06 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1xg1 h ALA 39 CO -0.02 0.33 0.17 0.82 0.00 0.00 0.00 179.25 180.55 1xg1 h ILE 40 N 0.82 1.19 -0.50 0.00 2.04 -1.05 -1.52 117.51 118.50 1xg1 h ILE 40 Ca 0.21 -0.58 -0.04 0.00 1.00 0.00 0.00 64.86 65.45 1xg1 h ILE 40 Cb 0.10 0.83 -0.02 0.00 -0.74 0.00 0.00 36.82 36.99 1xg1 h ILE 40 CO -0.03 0.21 0.16 -1.28 0.00 0.00 0.00 178.15 177.21 1xg1 h SER 41 N 0.51 0.67 -0.09 1.72 0.87 -0.51 0.23 113.55 116.95 1xg1 h SER 41 Ca 0.13 -0.10 -0.03 0.00 -1.23 0.00 0.00 61.79 60.57 1xg1 h SER 41 Cb 0.17 -0.17 -0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1xg1 h SER 41 CO -0.01 0.64 -0.06 0.50 -0.53 0.00 0.00 176.83 177.37 1xg1 h LYS 42 N 0.72 0.21 0.00 2.24 1.63 -0.72 -3.37 116.57 117.28 1xg1 h LYS 42 Ca 0.17 -0.10 -0.01 0.00 -0.85 0.00 0.00 60.65 59.86 1xg1 h LYS 42 Cb 0.21 -0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 31.84 1xg1 h LYS 42 CO -0.01 0.58 -0.05 -0.91 -3.45 0.00 0.00 179.45 175.61 1xg1 h ASN 43 N -0.17 0.00 -3.98 4.20 2.35 -1.17 -3.46 115.58 113.35 1xg1 h ASN 43 Ca 0.02 -0.98 -0.50 0.00 -0.55 0.00 0.00 56.30 54.28 1xg1 h ASN 43 Cb 0.53 -0.00 0.06 0.00 0.05 0.00 0.00 38.32 38.95 1xg1 h ASN 43 CO 0.02 1.02 0.49 -0.31 -1.65 0.00 0.00 177.43 176.99 1xg1 s TYR 44 N -2.23 2.97 0.00 1.19 1.51 0.80 -4.88 117.35 116.71 1xg1 s TYR 44 Ca -0.19 1.55 -0.01 0.00 -1.01 0.00 0.00 57.07 57.41 1xg1 s TYR 44 Cb -0.03 -3.36 -0.04 0.00 -0.11 0.00 0.00 41.96 38.42 1xg1 s TYR 44 CO 0.69 -1.37 1.14 -0.35 -1.11 0.00 0.00 175.55 174.55 1xg1 n PRO 45 N -0.26 0.53 -2.11 -1.71 -0.04 -1.26 -4.74 135.00 125.41 1xg1 n PRO 45 Ca 0.06 -0.16 -0.42 0.00 -0.04 0.00 0.00 63.50 62.94 1xg1 n PRO 45 Cb 0.48 -1.47 -0.03 0.00 -0.04 0.00 0.00 33.50 32.44 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 1.68 2.47 -0.19 0.54 0.08 -1.26 -4.99 117.98 116.31 1xg1 s PHE 46 Ca 0.11 0.52 -0.06 0.00 0.12 0.00 0.00 56.93 57.62 1xg1 s PHE 46 Cb 0.05 -3.79 -0.03 0.00 -0.57 0.00 0.00 43.02 38.68 1xg1 s PHE 46 CO 0.00 -3.14 0.02 0.54 -0.10 0.00 0.00 175.22 172.54 1xg1 s VAL 47 N 3.09 4.29 -1.46 -0.44 0.11 -1.26 -4.42 120.40 120.32 1xg1 s VAL 47 Ca 0.68 -0.20 0.00 0.00 -2.93 0.00 0.00 61.98 59.53 1xg1 s VAL 47 Cb -0.33 -2.93 0.00 0.00 -1.53 0.00 0.00 36.38 31.59 1xg1 s VAL 47 CO 0.28 0.44 0.00 0.59 -3.33 0.00 0.00 175.10 173.08 1xg1 n ASN 48 N 3.90 -5.42 -4.21 3.54 3.02 -1.26 -4.96 115.26 109.86 1xg1 n ASN 48 Ca -0.17 0.34 -0.33 0.00 -0.03 0.00 0.00 54.58 54.39 1xg1 n ASN 48 Cb 0.52 -4.13 -0.16 0.00 -0.61 0.00 0.00 39.78 35.40 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 -3.11 3.12 0.77 3.52 3.00 -1.26 -5.10 118.95 119.89 1xg1 s ARG 49 Ca 0.00 -0.80 -0.06 0.00 0.00 0.00 0.00 55.73 54.87 1xg1 s ARG 49 Cb 0.00 -2.56 0.12 0.00 0.00 0.00 0.00 34.95 32.51 1xg1 s ARG 49 CO 0.00 -0.03 1.08 0.95 0.00 0.00 0.00 175.30 177.30 1xg1 s THR 50 N 0.90 2.16 0.20 0.02 -4.23 -1.26 -4.93 115.64 108.51 1xg1 s THR 50 Ca -0.04 -0.35 -0.06 0.00 -1.18 0.00 0.00 61.69 60.05 1xg1 s THR 50 Cb -0.15 -2.81 0.06 0.00 1.34 0.00 0.00 72.50 70.94 1xg1 s THR 50 CO -0.03 0.00 1.65 0.00 -0.54 0.00 0.00 174.62 175.70 1xg1 h ALA 51 N -0.82 0.88 -0.52 3.99 0.00 -1.94 -2.42 119.26 118.43 1xg1 h ALA 51 Ca -0.41 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.13 1xg1 h ALA 51 Cb 1.27 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.85 1xg1 h ALA 51 CO 0.45 0.64 0.18 0.28 0.00 0.00 0.00 179.25 180.81 1xg1 h VAL 52 N 0.82 1.20 -0.42 0.00 2.07 -1.93 0.41 116.25 118.40 1xg1 h VAL 52 Ca 0.13 -0.66 -0.01 0.00 0.82 0.00 0.00 66.70 66.99 1xg1 h VAL 52 Cb 0.63 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 30.98 1xg1 h VAL 52 CO 0.04 0.25 0.23 0.24 0.02 0.00 0.00 177.57 178.35 1xg1 h MET 53 N 0.75 0.60 -0.48 1.57 2.07 -1.84 0.99 114.93 118.58 1xg1 h MET 53 Ca 0.18 -0.07 -0.08 0.00 -2.07 0.00 0.00 59.70 57.65 1xg1 h MET 53 Cb 0.19 -0.11 -0.02 0.00 -1.87 0.00 0.00 31.60 29.79 1xg1 h MET 53 CO -0.01 0.49 -0.02 0.82 1.07 0.00 0.00 176.91 179.25 1xg1 h ILE 54 N 0.55 1.26 -0.31 -1.22 2.04 -0.90 0.24 117.51 119.17 1xg1 h ILE 54 Ca 0.15 -1.10 0.06 0.00 1.00 0.00 0.00 64.86 64.96 1xg1 h ILE 54 Cb 0.07 1.01 -0.05 0.00 -0.74 0.00 0.00 36.82 37.11 1xg1 h ILE 54 CO -0.02 0.38 -0.01 0.50 0.00 0.00 0.00 178.15 179.00 1xg1 h LYS 55 N 0.72 0.07 -0.19 2.37 3.64 0.24 0.85 116.57 124.27 1xg1 h LYS 55 Ca 0.13 -0.00 -0.16 0.00 -1.27 0.00 0.00 60.65 59.35 1xg1 h LYS 55 Cb 0.54 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.34 1xg1 h LYS 55 CO 0.03 0.05 -0.56 0.22 -2.27 0.00 0.00 179.45 176.92 1xg1 h ASP 56 N 0.07 0.65 -0.96 4.20 1.82 -0.68 -3.14 116.42 118.39 1xg1 h ASP 56 Ca 0.15 -0.35 0.02 0.00 -0.39 0.00 0.00 57.03 56.45 1xg1 h ASP 56 Cb 0.20 -0.19 -0.05 0.00 0.68 0.00 0.00 39.33 39.98 1xg1 h ASP 56 CO -0.26 1.07 0.63 -0.09 -1.61 0.00 0.00 179.24 178.99 1xg1 h ARG 57 N 0.45 1.24 -0.68 0.28 9.65 0.34 0.05 114.38 125.72 1xg1 h ARG 57 Ca 0.01 -0.07 0.01 0.00 -1.10 0.00 0.00 59.98 58.83 1xg1 h ARG 57 Cb 1.11 -0.28 -0.04 0.00 -1.39 0.00 0.00 29.97 29.37 1xg1 h ARG 57 CO 0.11 0.82 0.44 2.35 2.80 0.00 0.00 179.97 186.49 1xg1 h TRP 58 N 1.28 0.84 -0.15 2.20 -0.00 -0.82 0.89 115.95 120.20 1xg1 h TRP 58 Ca 0.36 0.02 0.02 0.00 -0.00 0.00 0.00 58.89 59.29 1xg1 h TRP 58 Cb -0.12 -0.28 -0.02 0.00 -0.00 0.00 0.00 29.16 28.74 1xg1 h TRP 58 CO -0.00 0.51 0.01 -0.09 -0.00 0.00 0.00 178.44 178.87 1xg1 h ARG 59 N 0.89 0.06 -0.35 2.65 2.43 -1.24 -1.93 114.38 116.90 1xg1 h ARG 59 Ca 0.26 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.41 1xg1 h ARG 59 Cb -0.07 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.45 1xg1 h ARG 59 CO -0.07 0.04 0.19 1.79 -1.51 0.00 0.00 179.97 180.41 1xg1 h THR 60 N 0.07 1.14 -0.89 0.20 1.35 -0.39 -2.55 112.91 111.85 1xg1 h THR 60 Ca 0.07 -0.38 0.06 0.00 -0.55 0.00 0.00 66.41 65.61 1xg1 h THR 60 Cb 0.07 0.75 -0.06 0.00 -1.73 0.00 0.00 68.15 67.18 1xg1 h THR 60 CO -0.10 0.15 0.56 0.24 -0.25 0.00 0.00 175.52 176.11 1xg1 h MET 61 N 0.45 0.98 -0.49 4.72 2.86 -0.62 -1.15 114.93 121.68 1xg1 h MET 61 Ca 0.12 -0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.69 1xg1 h MET 61 Cb 0.07 -0.22 -0.02 0.00 0.06 0.00 0.00 31.60 31.48 1xg1 h MET 61 CO -0.02 0.65 0.23 0.87 1.06 0.00 0.00 176.91 179.70 1xg1 h LYS 62 N 1.01 0.68 0.94 1.72 1.57 -1.09 0.41 116.57 121.82 1xg1 h LYS 62 Ca 0.39 -0.08 -0.05 0.00 -1.87 0.00 0.00 60.65 59.04 1xg1 h LYS 62 Cb 0.18 -0.13 0.01 0.00 0.08 0.00 0.00 32.23 32.36 1xg1 h LYS 62 CO -0.18 0.53 -0.46 -0.09 -0.57 0.00 0.00 179.45 178.69 1xg1 h ARG 63 N 0.68 -1.22 0.25 3.15 2.43 -0.80 -3.25 114.38 115.62 1xg1 h ARG 63 Ca 0.17 0.08 -0.01 0.00 -0.81 0.00 0.00 59.98 59.41 1xg1 h ARG 63 Cb 0.08 0.28 0.00 0.00 -0.42 0.00 0.00 29.97 29.91 1xg1 h ARG 63 CO -0.02 -0.81 -0.12 -0.07 -1.51 0.00 0.00 179.97 177.43 1xg1 h LEU 64 N -1.27 -0.29 0.00 3.80 -0.00 -1.45 -3.47 115.31 112.63 1xg1 h LEU 64 Ca -0.13 -0.11 0.00 0.00 -0.00 0.00 0.00 57.88 57.64 1xg1 h LEU 64 Cb 0.97 0.07 0.00 0.00 -0.00 0.00 0.00 40.66 41.71 1xg1 h LEU 64 CO 0.21 -0.06 0.00 0.61 -0.00 0.00 0.00 178.44 179.19 1xg1 n GLY 65 N -0.77 0.58 2.12 0.83 0.00 0.45 -5.04 105.19 103.37 1xg1 n GLY 65 Ca -0.09 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.66 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 0.00 2.27 0.00 1.61 2.81 0.12 -5.00 117.12 118.94 1xg1 n MET 66 Ca 0.00 -2.54 0.00 0.00 -1.81 0.00 0.00 57.70 53.35 1xg1 n MET 66 Cb 0.00 -1.99 0.00 0.00 -0.71 0.00 0.00 33.22 30.52 1xg1 n MET 66 CO 0.00 0.00 0.00 0.27 1.51 0.00 0.00 175.97 177.75