#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 6.71 -0.03 1.61 0.15 -1.26 -5.00 113.70 115.88 1xg1 s SER 2 Ca 0.00 2.43 -0.02 0.00 0.70 0.00 0.00 55.95 59.06 1xg1 s SER 2 Cb 0.00 -2.58 0.02 0.00 -1.71 0.00 0.00 66.02 61.75 1xg1 s SER 2 CO 0.00 -0.76 0.08 -1.00 1.20 0.00 0.00 173.24 172.76 1xg1 s HIS 3 N 1.55 -0.07 -0.55 3.44 4.02 -1.26 -5.04 115.29 117.38 1xg1 s HIS 3 Ca 0.68 0.25 -0.07 0.00 1.02 0.00 0.00 55.06 56.94 1xg1 s HIS 3 Cb -0.39 -0.06 -0.20 0.00 -1.02 0.00 0.00 32.58 30.91 1xg1 s HIS 3 CO 0.30 -0.08 3.25 -0.12 1.02 0.00 0.00 174.74 179.12 1xg1 n MET 4 N 3.60 2.47 0.03 1.40 0.00 -1.26 -4.31 117.12 119.05 1xg1 n MET 4 Ca -0.19 -1.36 -0.22 0.00 -0.00 0.00 0.00 57.70 55.92 1xg1 n MET 4 Cb 0.55 -2.25 -0.14 0.00 0.00 0.00 0.00 33.22 31.38 1xg1 n MET 4 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 175.97 176.90 1xg1 h GLU 5 N 3.87 0.30 -6.77 2.12 4.39 -2.00 -3.46 114.58 113.02 1xg1 h GLU 5 Ca 0.41 -0.51 -0.53 0.00 0.34 0.00 0.00 59.36 59.08 1xg1 h GLU 5 Cb 1.02 0.19 0.06 0.00 -0.10 0.00 0.00 28.75 29.92 1xg1 h GLU 5 CO 0.78 1.24 0.74 -0.51 -1.16 0.00 0.00 179.01 180.10 1xg1 s ASP 6 N -7.13 6.66 0.14 1.42 1.01 -1.26 -4.94 116.67 112.57 1xg1 s ASP 6 Ca -0.19 2.68 -0.31 0.00 0.71 0.00 0.00 52.55 55.44 1xg1 s ASP 6 Cb 0.05 -2.63 -0.09 0.00 1.01 0.00 0.00 42.92 41.26 1xg1 s ASP 6 CO 0.80 -0.68 1.52 -0.94 0.21 0.00 0.00 175.17 176.08 1xg1 s SER 7 N 0.22 6.66 -0.29 0.27 1.04 -1.26 -4.98 113.70 115.35 1xg1 s SER 7 Ca 0.57 2.51 -0.17 0.00 0.48 0.00 0.00 55.95 59.35 1xg1 s SER 7 Cb -0.42 -2.59 0.13 0.00 0.10 0.00 0.00 66.02 63.25 1xg1 s SER 7 CO 0.45 -0.78 0.94 0.28 0.98 0.00 0.00 173.24 175.11 1xg1 s THR 8 N 1.29 0.00 0.00 2.02 -1.32 -1.26 -4.29 115.64 112.09 1xg1 s THR 8 Ca 0.69 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 61.17 1xg1 s THR 8 Cb -0.41 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.58 1xg1 s THR 8 CO 0.31 0.00 0.00 1.07 -2.21 0.00 0.00 174.62 173.79 1xg1 n THR 9 N 3.60 0.00 -3.64 5.08 5.66 -1.26 -4.92 114.28 118.79 1xg1 n THR 9 Ca -0.18 0.00 -0.02 0.00 -3.05 0.00 0.00 64.05 60.80 1xg1 n THR 9 Cb 0.58 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 69.31 1xg1 n THR 9 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 1xg1 s ASN 10 N 0.00 -0.03 0.00 1.09 2.20 -1.26 -4.91 114.94 112.03 1xg1 s ASN 10 Ca 0.00 0.04 0.00 0.00 -0.94 0.00 0.00 52.86 51.96 1xg1 s ASN 10 Cb 0.00 0.03 0.00 0.00 -2.00 0.00 0.00 41.25 39.28 1xg1 s ASN 10 CO 0.00 -0.03 0.00 -0.38 -2.94 0.00 0.00 177.10 173.75 1xg1 n ILE 11 N 0.61 0.00 -1.47 0.54 5.41 -1.26 -3.87 119.36 119.32 1xg1 n ILE 11 Ca -0.01 0.00 0.05 0.00 1.00 0.00 0.00 62.75 63.79 1xg1 n ILE 11 Cb 0.59 0.00 0.20 0.00 -0.71 0.00 0.00 39.64 39.72 1xg1 n ILE 11 CO 0.00 0.00 0.00 1.07 0.00 0.00 0.00 176.55 177.62 1xg1 n THR 12 N 0.00 2.23 -0.07 1.39 5.66 -1.26 -4.70 114.28 117.52 1xg1 n THR 12 Ca 0.00 -2.97 -0.14 0.00 -3.05 0.00 0.00 64.05 57.89 1xg1 n THR 12 Cb 0.00 -0.26 -0.05 0.00 -1.55 0.00 0.00 70.33 68.47 1xg1 n THR 12 CO 0.00 0.00 0.00 0.07 -3.05 0.00 0.00 175.07 172.09 1xg1 h LYS 13 N 0.87 0.70 -0.74 1.09 2.10 -1.75 -3.12 116.57 115.73 1xg1 h LYS 13 Ca 0.04 -0.43 -0.43 0.00 -2.00 0.00 0.00 60.65 57.84 1xg1 h LYS 13 Cb 1.13 0.04 -0.24 0.00 -0.90 0.00 0.00 32.23 32.26 1xg1 h LYS 13 CO 0.08 1.05 0.29 0.36 -2.00 0.00 0.00 179.45 179.23 1xg1 n LYS 14 N -4.20 2.29 -3.10 0.07 2.85 -1.26 -4.52 118.16 110.28 1xg1 n LYS 14 Ca -0.05 -3.23 -0.16 0.00 -1.05 0.00 0.00 58.31 53.82 1xg1 n LYS 14 Cb 0.54 -2.07 -0.01 0.00 -0.65 0.00 0.00 35.03 32.84 1xg1 n LYS 14 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 177.40 178.39 1xg1 n GLN 15 N -1.06 0.98 -2.28 -1.58 6.02 -1.18 -5.11 117.38 113.17 1xg1 n GLN 15 Ca 0.49 -3.09 -0.42 0.00 -0.01 0.00 0.00 57.00 53.98 1xg1 n GLN 15 Cb 1.20 -1.57 -0.03 0.00 1.02 0.00 0.00 30.24 30.85 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 -1.89 4.40 -0.04 -1.09 2.47 -1.26 -4.88 119.74 117.46 1xg1 s LYS 16 Ca 0.36 1.97 0.04 0.00 -1.56 0.00 0.00 55.97 56.78 1xg1 s LYS 16 Cb 0.34 -3.24 -0.00 0.00 -1.46 0.00 0.00 37.83 33.47 1xg1 s LYS 16 CO -0.07 -0.25 -0.15 -1.58 0.16 0.00 0.00 175.35 173.45 1xg1 s TRP 17 N 0.43 1.54 0.49 4.03 0.52 -1.26 -5.04 118.94 119.65 1xg1 s TRP 17 Ca 0.58 -0.45 -0.19 0.00 0.02 0.00 0.00 56.10 56.05 1xg1 s TRP 17 Cb -0.35 -1.06 -0.08 0.00 -1.15 0.00 0.00 33.47 30.83 1xg1 s TRP 17 CO 0.35 -0.17 1.00 0.95 0.02 0.00 0.00 176.95 179.10 1xg1 s THR 18 N 0.15 4.12 0.37 2.01 -4.23 -1.26 -4.90 115.64 111.90 1xg1 s THR 18 Ca -0.05 1.21 0.09 0.00 -1.18 0.00 0.00 61.69 61.76 1xg1 s THR 18 Cb -0.11 -3.54 0.32 0.00 1.34 0.00 0.00 72.50 70.51 1xg1 s THR 18 CO 0.02 -0.39 1.92 1.62 -0.54 0.00 0.00 174.62 177.25 1xg1 h VAL 19 N 1.37 0.90 -0.46 2.29 3.04 -2.00 -1.32 116.25 120.07 1xg1 h VAL 19 Ca -0.48 -0.22 0.01 0.00 -1.01 0.00 0.00 66.70 64.99 1xg1 h VAL 19 Cb 1.20 0.19 -0.02 0.00 -2.01 0.00 0.00 31.29 30.64 1xg1 h VAL 19 CO 0.60 0.12 0.30 -0.08 -1.01 0.00 0.00 177.57 177.50 1xg1 h GLU 20 N 0.66 0.59 -0.54 4.17 4.81 -2.00 -1.19 114.58 121.08 1xg1 h GLU 20 Ca 0.38 -0.04 -0.06 0.00 -0.13 0.00 0.00 59.36 59.52 1xg1 h GLU 20 Cb 0.56 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.79 1xg1 h GLU 20 CO -0.15 0.39 0.12 0.93 -0.73 0.00 0.00 179.01 179.58 1xg1 h GLU 21 N 0.61 0.88 0.00 1.92 5.08 -1.64 -2.76 114.58 118.67 1xg1 h GLU 21 Ca 0.17 -0.22 -0.06 0.00 -1.00 0.00 0.00 59.36 58.26 1xg1 h GLU 21 Cb -0.06 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.07 1xg1 h GLU 21 CO -0.05 0.83 -0.29 0.66 -1.00 0.00 0.00 179.01 179.17 1xg1 h SER 22 N 0.77 0.00 -0.15 1.42 4.64 -1.10 -2.45 113.55 116.67 1xg1 h SER 22 Ca 0.17 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.38 1xg1 h SER 22 Cb 0.35 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.43 1xg1 h SER 22 CO 0.00 0.29 -0.25 -0.33 -0.87 0.00 0.00 176.83 175.67 1xg1 h GLU 23 N 0.00 0.61 -0.42 4.77 4.39 -0.93 -3.01 114.58 119.99 1xg1 h GLU 23 Ca -0.00 -0.25 -0.08 0.00 0.34 0.00 0.00 59.36 59.38 1xg1 h GLU 23 Cb 0.57 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.17 1xg1 h GLU 23 CO 0.04 0.81 -0.03 -1.49 -1.16 0.00 0.00 179.01 177.18 1xg1 h TRP 24 N 0.53 0.85 -0.96 4.33 6.55 -1.31 -2.66 115.95 123.28 1xg1 h TRP 24 Ca 0.07 -0.16 0.03 0.00 0.95 0.00 0.00 58.89 59.79 1xg1 h TRP 24 Cb 0.72 -0.22 -0.05 0.00 -0.86 0.00 0.00 29.16 28.75 1xg1 h TRP 24 CO 0.03 0.85 0.63 -0.39 -1.05 0.00 0.00 178.44 178.51 1xg1 h VAL 25 N 0.60 1.18 -0.46 1.49 -1.51 -1.41 0.13 116.25 116.27 1xg1 h VAL 25 Ca 0.12 -0.42 -0.05 0.00 -1.23 0.00 0.00 66.70 65.12 1xg1 h VAL 25 Cb 0.53 -0.16 -0.02 0.00 -2.13 0.00 0.00 31.29 29.51 1xg1 h VAL 25 CO 0.03 0.22 0.11 0.50 -1.23 0.00 0.00 177.57 177.20 1xg1 h LYS 26 N 1.23 0.74 -0.42 5.19 3.64 -1.41 -1.31 116.57 124.23 1xg1 h LYS 26 Ca 0.38 -0.18 -0.04 0.00 -1.27 0.00 0.00 60.65 59.53 1xg1 h LYS 26 Cb -0.02 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.69 1xg1 h LYS 26 CO -0.11 0.74 0.10 0.00 -2.27 0.00 0.00 179.45 177.91 1xg1 h ALA 27 N 0.97 0.55 -0.71 5.00 0.00 -1.04 -2.66 119.26 121.38 1xg1 h ALA 27 Ca 0.14 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1xg1 h ALA 27 Cb 0.33 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 1xg1 h ALA 27 CO 0.00 0.24 0.35 0.78 0.00 0.00 0.00 179.25 180.62 1xg1 h GLY 28 N 0.54 1.08 1.05 0.00 0.00 -0.58 0.19 103.07 105.36 1xg1 h GLY 28 Ca 0.13 -0.52 -0.04 0.00 0.00 0.00 0.00 47.33 46.90 1xg1 h GLY 28 CO 0.00 0.49 0.35 -2.08 0.00 0.00 0.00 176.54 175.30 1xg1 h VAL 29 N 1.01 1.26 -0.04 4.60 2.07 -1.06 0.58 116.25 124.67 1xg1 h VAL 29 Ca 0.25 -0.80 -0.10 0.00 0.82 0.00 0.00 66.70 66.87 1xg1 h VAL 29 Cb 0.10 0.26 0.01 0.00 -1.52 0.00 0.00 31.29 30.13 1xg1 h VAL 29 CO -0.03 0.33 -0.36 -0.61 0.02 0.00 0.00 177.57 176.92 1xg1 h GLN 30 N 1.18 0.31 0.11 1.57 5.75 -1.08 -2.42 115.11 120.53 1xg1 h GLN 30 Ca 0.28 -0.28 -0.17 0.00 -0.15 0.00 0.00 58.65 58.33 1xg1 h GLN 30 Cb 0.19 0.07 0.01 0.00 1.07 0.00 0.00 27.48 28.82 1xg1 h GLN 30 CO -0.03 0.95 -0.76 -0.22 -2.65 0.00 0.00 178.83 176.12 1xg1 h LYS 31 N -0.23 0.23 0.00 1.69 3.64 -0.57 -3.41 116.57 117.93 1xg1 h LYS 31 Ca -0.03 -0.40 -0.20 0.00 -1.27 0.00 0.00 60.65 58.75 1xg1 h LYS 31 Cb 1.05 0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 32.99 1xg1 h LYS 31 CO 0.07 1.19 -1.14 1.88 -2.27 0.00 0.00 179.45 179.18 1xg1 h TYR 32 N -0.49 0.00 0.00 1.91 -1.99 -0.06 -3.51 116.97 112.84 1xg1 h TYR 32 Ca -0.14 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.59 1xg1 h TYR 32 Cb 1.54 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.27 1xg1 h TYR 32 CO 0.20 1.30 0.00 0.41 -0.00 0.00 0.00 178.16 180.07 1xg1 n GLY 33 N 1.46 4.03 3.57 3.88 0.00 -0.61 -4.90 105.19 112.62 1xg1 n GLY 33 Ca -0.29 -1.24 -0.48 0.00 0.00 0.00 0.00 46.02 44.02 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 -0.34 1.73 0.00 1.61 0.00 -1.19 -1.59 120.64 120.86 1xg1 n GLU 34 Ca 0.00 0.54 0.00 0.00 0.00 0.00 0.00 57.16 57.70 1xg1 n GLU 34 Cb 0.00 -2.76 0.00 0.00 0.00 0.00 0.00 31.44 28.68 1xg1 n GLU 34 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1xg1 n GLY 35 N 5.57 2.41 1.98 8.31 0.00 -1.26 -4.99 105.19 117.22 1xg1 n GLY 35 Ca 0.31 -0.53 -0.12 0.00 0.00 0.00 0.00 46.02 45.69 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 5.30 -0.34 1.61 3.02 -0.62 -4.53 115.26 119.70 1xg1 n ASN 36 Ca 0.00 -2.51 -0.03 0.00 -0.03 0.00 0.00 54.58 52.01 1xg1 n ASN 36 Cb 0.00 -1.39 0.09 0.00 -0.61 0.00 0.00 39.78 37.87 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 2.85 1.20 -0.75 3.10 4.06 -1.89 -1.91 115.95 122.62 1xg1 h TRP 37 Ca 0.19 0.00 0.01 0.00 2.06 0.00 0.00 58.89 61.15 1xg1 h TRP 37 Cb 1.45 -0.40 -0.04 0.00 -1.00 0.00 0.00 29.16 29.17 1xg1 h TRP 37 CO 1.66 0.79 0.50 0.00 -3.56 0.00 0.00 178.44 177.83 1xg1 h ALA 38 N 1.31 1.47 -0.07 1.49 0.00 -1.86 0.91 119.26 122.52 1xg1 h ALA 38 Ca 0.33 -0.05 -0.14 0.00 0.00 0.00 0.00 54.91 55.05 1xg1 h ALA 38 Cb -0.07 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.40 1xg1 h ALA 38 CO -0.06 0.49 -0.59 0.00 0.00 0.00 0.00 179.25 179.08 1xg1 h ALA 39 N 1.53 0.87 -0.09 0.00 0.00 -1.79 -2.37 119.26 117.42 1xg1 h ALA 39 Ca 0.28 -0.53 -0.06 0.00 0.00 0.00 0.00 54.91 54.59 1xg1 h ALA 39 Cb -0.10 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.60 1xg1 h ALA 39 CO -0.06 0.72 -0.19 0.82 0.00 0.00 0.00 179.25 180.54 1xg1 h ILE 40 N 0.18 1.40 -0.44 0.00 2.04 -0.51 -2.59 117.51 117.59 1xg1 h ILE 40 Ca -0.00 -1.49 -0.03 0.00 1.00 0.00 0.00 64.86 64.33 1xg1 h ILE 40 Cb 1.09 2.16 -0.02 0.00 -0.74 0.00 0.00 36.82 39.30 1xg1 h ILE 40 CO 0.09 0.42 0.14 0.77 0.00 0.00 0.00 178.15 179.57 1xg1 h SER 41 N -0.18 0.59 0.25 1.72 4.64 -0.87 0.24 113.55 119.95 1xg1 h SER 41 Ca 0.00 -0.08 -0.01 0.00 -0.47 0.00 0.00 61.79 61.23 1xg1 h SER 41 Cb 0.78 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 62.71 1xg1 h SER 41 CO 0.04 0.57 -0.12 0.50 -0.87 0.00 0.00 176.83 176.95 1xg1 h LYS 42 N 0.64 -0.33 0.02 4.77 3.64 -1.42 -3.36 116.57 120.53 1xg1 h LYS 42 Ca 0.15 0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.50 1xg1 h LYS 42 Cb 0.20 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.10 1xg1 h LYS 42 CO -0.01 -0.04 -0.20 -0.91 -2.27 0.00 0.00 179.45 176.03 1xg1 h ASN 43 N -0.62 0.14 -4.11 4.20 2.35 -1.36 -3.46 115.58 112.71 1xg1 h ASN 43 Ca -0.03 -0.89 -0.50 0.00 -0.55 0.00 0.00 56.30 54.33 1xg1 h ASN 43 Cb 0.44 -0.04 0.07 0.00 0.05 0.00 0.00 38.32 38.84 1xg1 h ASN 43 CO 0.06 1.01 0.41 -0.31 -1.65 0.00 0.00 177.43 176.95 1xg1 s TYR 44 N -2.67 2.76 0.00 1.19 1.51 0.85 -4.88 117.35 116.11 1xg1 s TYR 44 Ca -0.17 1.55 -0.01 0.00 -1.01 0.00 0.00 57.07 57.43 1xg1 s TYR 44 Cb -0.01 -3.20 -0.03 0.00 -0.11 0.00 0.00 41.96 38.61 1xg1 s TYR 44 CO 0.73 -1.40 1.04 -0.35 -1.11 0.00 0.00 175.55 174.45 1xg1 n PRO 45 N -1.45 0.49 -2.45 -1.71 -0.04 -1.26 -4.74 135.00 123.84 1xg1 n PRO 45 Ca 0.11 -0.12 -0.43 0.00 -0.04 0.00 0.00 63.50 63.02 1xg1 n PRO 45 Cb 0.52 -1.44 -0.02 0.00 -0.04 0.00 0.00 33.50 32.52 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 1.59 2.75 -0.21 0.54 0.08 -1.26 -4.99 117.98 116.48 1xg1 s PHE 46 Ca 0.08 0.92 -0.14 0.00 0.12 0.00 0.00 56.93 57.90 1xg1 s PHE 46 Cb 0.04 -3.86 -0.04 0.00 -0.57 0.00 0.00 43.02 38.59 1xg1 s PHE 46 CO 0.00 -1.59 0.33 0.54 -0.10 0.00 0.00 175.22 174.40 1xg1 s VAL 47 N 4.23 5.24 0.00 -0.44 0.11 -1.26 -4.46 120.40 123.82 1xg1 s VAL 47 Ca 0.55 0.56 0.00 0.00 -2.93 0.00 0.00 61.98 60.16 1xg1 s VAL 47 Cb -0.16 -3.67 0.00 0.00 -1.53 0.00 0.00 36.38 31.02 1xg1 s VAL 47 CO 0.22 0.28 0.00 -0.46 -3.33 0.00 0.00 175.10 171.80 1xg1 n ASN 48 N 4.41 0.00 -4.64 3.54 0.23 -1.26 -4.89 115.26 112.65 1xg1 n ASN 48 Ca -0.10 0.00 -0.42 0.00 -0.53 0.00 0.00 54.58 53.52 1xg1 n ASN 48 Cb 0.51 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 38.18 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 3.77 0.90 -3.83 3.00 -1.26 -4.97 118.95 116.55 1xg1 s ARG 49 Ca 0.00 2.32 -0.14 0.00 0.00 0.00 0.00 55.73 57.91 1xg1 s ARG 49 Cb 0.00 -4.22 0.15 0.00 0.00 0.00 0.00 34.95 30.88 1xg1 s ARG 49 CO 0.00 -1.38 1.23 0.95 0.00 0.00 0.00 175.30 176.10 1xg1 s THR 50 N 5.83 1.98 0.24 0.02 -4.23 -1.26 -4.88 115.64 113.33 1xg1 s THR 50 Ca 0.91 0.00 -0.06 0.00 -1.18 0.00 0.00 61.69 61.36 1xg1 s THR 50 Cb -0.37 -2.95 0.18 0.00 1.34 0.00 0.00 72.50 70.70 1xg1 s THR 50 CO 0.38 0.00 1.82 0.00 -0.54 0.00 0.00 174.62 176.28 1xg1 h ALA 51 N -1.42 1.14 -0.76 3.99 0.00 -1.93 -1.97 119.26 118.31 1xg1 h ALA 51 Ca -0.46 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.24 1xg1 h ALA 51 Cb 1.29 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.74 1xg1 h ALA 51 CO 0.53 0.63 0.32 0.28 0.00 0.00 0.00 179.25 181.01 1xg1 h VAL 52 N 1.11 1.25 -0.74 0.00 2.07 -1.93 0.30 116.25 118.31 1xg1 h VAL 52 Ca 0.26 -0.77 0.03 0.00 0.82 0.00 0.00 66.70 67.04 1xg1 h VAL 52 Cb 0.16 0.33 -0.04 0.00 -1.52 0.00 0.00 31.29 30.22 1xg1 h VAL 52 CO -0.03 0.32 0.47 0.24 0.02 0.00 0.00 177.57 178.59 1xg1 h MET 53 N 1.09 0.90 -0.24 1.57 2.07 -1.74 0.20 114.93 118.78 1xg1 h MET 53 Ca 0.26 -0.05 -0.08 0.00 -2.07 0.00 0.00 59.70 57.75 1xg1 h MET 53 Cb 0.18 -0.20 -0.00 0.00 -1.87 0.00 0.00 31.60 29.71 1xg1 h MET 53 CO -0.02 0.60 -0.17 0.82 1.07 0.00 0.00 176.91 179.20 1xg1 h ILE 54 N 0.93 1.31 0.05 -1.22 2.04 -0.70 0.62 117.51 120.53 1xg1 h ILE 54 Ca 0.29 -1.30 0.02 0.00 1.00 0.00 0.00 64.86 64.88 1xg1 h ILE 54 Cb -0.01 1.64 -0.04 0.00 -0.74 0.00 0.00 36.82 37.67 1xg1 h ILE 54 CO -0.10 0.40 -0.23 0.50 0.00 0.00 0.00 178.15 178.72 1xg1 h LYS 55 N 0.24 -0.38 -0.84 2.37 3.64 0.11 0.44 116.57 122.14 1xg1 h LYS 55 Ca 0.05 0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.43 1xg1 h LYS 55 Cb 0.70 0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 32.57 1xg1 h LYS 55 CO 0.05 -0.25 0.42 0.22 -2.27 0.00 0.00 179.45 177.62 1xg1 h ASP 56 N -0.39 1.09 -0.82 4.20 3.58 -0.64 -2.67 116.42 120.77 1xg1 h ASP 56 Ca 0.05 -0.12 0.07 0.00 0.42 0.00 0.00 57.03 57.45 1xg1 h ASP 56 Cb 0.45 -0.28 -0.06 0.00 1.72 0.00 0.00 39.33 41.16 1xg1 h ASP 56 CO -0.18 0.91 0.49 -0.09 -2.88 0.00 0.00 179.24 177.48 1xg1 h ARG 57 N 1.19 0.84 -0.68 0.28 9.65 0.03 -1.82 114.38 123.88 1xg1 h ARG 57 Ca 0.29 -0.05 0.02 0.00 -1.10 0.00 0.00 59.98 59.14 1xg1 h ARG 57 Cb 0.09 -0.19 -0.04 0.00 -1.39 0.00 0.00 29.97 28.44 1xg1 h ARG 57 CO -0.04 0.56 0.44 2.35 2.80 0.00 0.00 179.97 186.07 1xg1 h TRP 58 N 0.87 0.82 -0.62 2.20 -0.00 -0.59 -0.17 115.95 118.46 1xg1 h TRP 58 Ca 0.37 0.02 0.01 0.00 -0.00 0.00 0.00 58.89 59.29 1xg1 h TRP 58 Cb 0.24 -0.27 -0.03 0.00 -0.00 0.00 0.00 29.16 29.09 1xg1 h TRP 58 CO -0.05 0.50 0.40 0.00 -0.00 0.00 0.00 178.44 179.29 1xg1 h ARG 59 N 0.87 0.79 -0.56 2.65 -0.00 -1.30 -1.13 114.38 115.71 1xg1 h ARG 59 Ca 0.26 -0.05 -0.00 0.00 -0.50 0.00 0.00 59.98 59.69 1xg1 h ARG 59 Cb -0.05 -0.18 -0.03 0.00 0.00 0.00 0.00 29.97 29.72 1xg1 h ARG 59 CO -0.08 0.52 0.33 1.15 0.00 0.00 0.00 179.97 181.90 1xg1 h THR 60 N 0.81 1.17 -0.44 2.04 2.02 -0.66 -0.61 112.91 117.25 1xg1 h THR 60 Ca 0.23 -0.39 0.04 0.00 0.77 0.00 0.00 66.41 67.07 1xg1 h THR 60 Cb -0.07 0.42 -0.04 0.00 -1.74 0.00 0.00 68.15 66.72 1xg1 h THR 60 CO -0.06 0.17 0.19 0.24 0.37 0.00 0.00 175.52 176.43 1xg1 h MET 61 N 0.75 0.37 -0.79 6.66 2.86 -0.44 0.30 114.93 124.64 1xg1 h MET 61 Ca 0.20 -0.02 -0.04 0.00 -2.06 0.00 0.00 59.70 57.78 1xg1 h MET 61 Cb -0.01 -0.08 -0.04 0.00 0.06 0.00 0.00 31.60 31.53 1xg1 h MET 61 CO -0.04 0.25 0.34 0.87 1.06 0.00 0.00 176.91 179.39 1xg1 h LYS 62 N 0.38 1.16 -0.27 1.72 1.57 -0.84 0.41 116.57 120.70 1xg1 h LYS 62 Ca 0.20 -0.19 -0.08 0.00 -1.87 0.00 0.00 60.65 58.70 1xg1 h LYS 62 Cb 0.15 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 1xg1 h LYS 62 CO -0.17 0.92 -0.16 -0.09 -0.57 0.00 0.00 179.45 179.38 1xg1 h ARG 63 N 1.14 0.59 0.00 3.15 2.43 -0.30 -2.97 114.38 118.42 1xg1 h ARG 63 Ca 0.27 -0.27 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 1xg1 h ARG 63 Cb 0.17 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.71 1xg1 h ARG 63 CO -0.03 0.85 -0.10 -0.07 -1.51 0.00 0.00 179.97 179.10 1xg1 h LEU 64 N 0.32 0.00 -0.04 3.80 3.38 -0.22 -3.47 115.31 119.09 1xg1 h LEU 64 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1xg1 h LEU 64 Cb 0.69 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.44 1xg1 h LEU 64 CO 0.05 0.10 0.00 0.61 0.09 0.00 0.00 178.44 179.29 1xg1 n GLY 65 N 0.18 0.96 2.74 0.83 0.00 0.37 -4.98 105.19 105.29 1xg1 n GLY 65 Ca 0.01 -0.56 -0.38 0.00 0.00 0.00 0.00 46.02 45.08 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 -0.96 2.74 0.00 1.61 2.81 0.12 -5.01 117.12 118.43 1xg1 n MET 66 Ca 0.00 -3.46 0.00 0.00 -1.81 0.00 0.00 57.70 52.43 1xg1 n MET 66 Cb 0.32 -2.28 0.00 0.00 -0.71 0.00 0.00 33.22 30.56 1xg1 n MET 66 CO 0.00 0.00 0.00 0.27 1.51 0.00 0.00 175.97 177.75