#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zg2 s ASN 7 N 0.00 6.09 -0.41 7.83 -0.87 -1.26 -4.93 114.94 121.39 1zg2 s ASN 7 Ca 0.00 -0.62 -0.11 0.00 -1.57 0.00 0.00 52.86 50.56 1zg2 s ASN 7 Cb 0.00 -2.15 0.06 0.00 -0.02 0.00 0.00 41.25 39.14 1zg2 s ASN 7 CO 0.00 -0.33 0.26 -1.00 -2.57 0.00 0.00 177.10 173.46 1zg2 s HIS 8 N 1.72 3.29 -0.26 2.20 3.76 -1.25 -3.83 115.29 120.92 1zg2 s HIS 8 Ca 0.06 -1.24 0.01 0.00 -0.15 0.00 0.00 55.06 53.74 1zg2 s HIS 8 Cb -0.18 -2.80 0.05 0.00 1.11 0.00 0.00 32.58 30.75 1zg2 s HIS 8 CO 0.10 -0.77 -0.09 0.71 -0.85 0.00 0.00 174.74 173.85 1zg2 s TYR 9 N 1.50 3.18 -0.39 1.40 2.02 -0.58 -1.37 117.35 123.10 1zg2 s TYR 9 Ca 0.03 -2.00 -0.26 0.00 -0.37 0.00 0.00 57.07 54.47 1zg2 s TYR 9 Cb -0.22 -1.99 0.02 0.00 -0.40 0.00 0.00 41.96 39.36 1zg2 s TYR 9 CO 0.04 -0.83 0.92 0.08 -1.57 0.00 0.00 175.55 174.19 1zg2 s VAL 10 N 1.20 4.56 -0.12 0.71 1.01 0.15 0.13 120.40 128.05 1zg2 s VAL 10 Ca -0.05 1.06 -0.04 0.00 0.00 0.00 0.00 61.98 62.96 1zg2 s VAL 10 Cb -0.19 -4.35 -0.03 0.00 0.00 0.00 0.00 36.38 31.81 1zg2 s VAL 10 CO -0.05 -0.61 0.02 -0.72 0.00 0.00 0.00 175.10 173.75 1zg2 s TYR 11 N 3.52 3.21 -0.21 5.22 -0.85 -0.24 -0.76 117.35 127.24 1zg2 s TYR 11 Ca 0.37 0.14 0.02 0.00 -0.52 0.00 0.00 57.07 57.08 1zg2 s TYR 11 Cb -0.12 -1.89 0.04 0.00 0.38 0.00 0.00 41.96 40.38 1zg2 s TYR 11 CO 0.21 0.36 -0.15 -1.50 -1.52 0.00 0.00 175.55 172.95 1zg2 s ILE 12 N -0.47 1.98 -0.17 -3.49 2.07 -1.17 -2.20 121.20 117.75 1zg2 s ILE 12 Ca 0.09 -1.17 -0.03 0.00 -1.41 0.00 0.00 60.65 58.13 1zg2 s ILE 12 Cb -0.12 -1.95 -0.02 0.00 0.13 0.00 0.00 42.46 40.51 1zg2 s ILE 12 CO 0.02 0.27 -0.07 -0.76 -1.91 0.00 0.00 174.94 172.49 1zg2 s LEU 13 N 1.26 2.98 -0.25 8.50 1.43 -0.14 -1.79 118.68 130.67 1zg2 s LEU 13 Ca -0.01 -0.27 -0.29 0.00 -1.03 0.00 0.00 54.13 52.53 1zg2 s LEU 13 Cb -0.16 -1.72 0.00 0.00 0.03 0.00 0.00 46.19 44.35 1zg2 s LEU 13 CO -0.09 0.11 1.18 -0.70 0.23 0.00 0.00 176.35 177.08 1zg2 s GLU 14 N 0.68 4.11 0.87 1.70 2.12 0.20 0.73 118.70 129.11 1zg2 s GLU 14 Ca -0.04 1.33 -0.13 0.00 0.36 0.00 0.00 54.97 56.50 1zg2 s GLU 14 Cb -0.15 -3.76 0.14 0.00 0.26 0.00 0.00 34.13 30.62 1zg2 s GLU 14 CO 0.02 -0.85 1.22 0.00 -0.54 0.00 0.00 175.26 175.11 1zg2 h LYS 16 N -1.26 0.20 0.00 0.00 2.10 -1.88 -1.26 116.57 114.46 1zg2 h LYS 16 Ca -0.45 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.19 1zg2 h LYS 16 Cb 1.28 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 32.56 1zg2 h LYS 16 CO 0.50 0.13 -0.29 -0.44 -2.00 0.00 0.00 179.45 177.36 1zg2 h ASP 17 N 0.20 0.00 0.00 7.07 3.32 -1.96 -3.47 116.42 121.59 1zg2 h ASP 17 Ca 0.37 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.41 1zg2 h ASP 17 Cb 1.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.69 1zg2 h ASP 17 CO -0.07 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.06 1zg2 n GLY 18 N 1.14 0.56 3.74 2.75 0.00 -0.48 -5.08 105.19 107.82 1zg2 n GLY 18 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 1zg2 n GLY 18 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1zg2 s SER 19 N -2.07 7.59 -0.18 1.61 0.15 -1.26 -4.76 113.70 114.77 1zg2 s SER 19 Ca 0.00 1.90 -0.21 0.00 0.70 0.00 0.00 55.95 58.35 1zg2 s SER 19 Cb 0.00 -2.60 -0.03 0.00 -1.71 0.00 0.00 66.02 61.68 1zg2 s SER 19 CO 0.00 0.07 0.62 0.26 1.20 0.00 0.00 173.24 175.39 1zg2 s TRP 20 N -0.76 3.40 -0.33 3.44 0.51 -1.26 -0.65 118.94 123.29 1zg2 s TRP 20 Ca 0.43 0.94 -0.19 0.00 -2.12 0.00 0.00 56.10 55.16 1zg2 s TRP 20 Cb -0.25 -2.78 -0.01 0.00 -0.81 0.00 0.00 33.47 29.63 1zg2 s TRP 20 CO 0.31 -0.13 0.58 -0.47 -0.51 0.00 0.00 176.95 176.74 1zg2 s TYR 21 N 1.73 3.19 -0.18 -1.98 5.04 0.22 -4.87 117.35 120.51 1zg2 s TYR 21 Ca 0.29 0.39 -0.08 0.00 -2.44 0.00 0.00 57.07 55.24 1zg2 s TYR 21 Cb -0.16 -2.98 -0.04 0.00 0.35 0.00 0.00 41.96 39.13 1zg2 s TYR 21 CO 0.11 -0.52 0.07 0.99 -1.34 0.00 0.00 175.55 174.86 1zg2 s THR 22 N 2.54 4.84 -0.29 4.34 2.01 -1.26 -0.96 115.64 126.85 1zg2 s THR 22 Ca 0.22 -0.02 -0.22 0.00 0.31 0.00 0.00 61.69 61.99 1zg2 s THR 22 Cb -0.15 -3.18 0.18 0.00 0.01 0.00 0.00 72.50 69.36 1zg2 s THR 22 CO 0.13 0.46 1.28 -0.83 -0.69 0.00 0.00 174.62 174.97 1zg2 s GLY 23 N 0.33 0.29 -0.13 4.40 0.00 -0.94 -5.04 107.32 106.23 1zg2 s GLY 23 Ca 0.04 3.40 -0.06 0.00 0.00 0.00 0.00 44.72 48.10 1zg2 s GLY 23 CO -0.00 2.17 0.10 -2.52 0.00 0.00 0.00 173.10 172.85 1zg2 s TYR 24 N 0.42 3.43 0.12 1.90 1.13 -1.26 -1.08 117.35 122.01 1zg2 s TYR 24 Ca 0.02 0.36 0.02 0.00 -1.41 0.00 0.00 57.07 56.06 1zg2 s TYR 24 Cb -0.04 -1.96 -0.04 0.00 -1.10 0.00 0.00 41.96 38.82 1zg2 s TYR 24 CO -0.13 0.54 0.24 -0.08 -2.51 0.00 0.00 175.55 173.61 1zg2 s THR 25 N -0.60 5.27 -0.46 -3.49 -1.32 0.12 -4.89 115.64 110.27 1zg2 s THR 25 Ca 0.12 -0.61 0.06 0.00 -1.21 0.00 0.00 61.69 60.05 1zg2 s THR 25 Cb -0.12 -3.66 0.21 0.00 -1.51 0.00 0.00 72.50 67.43 1zg2 s THR 25 CO 0.02 -0.01 0.66 0.41 -2.21 0.00 0.00 174.62 173.50 1zg2 n THR 26 N -0.22 -0.38 -3.91 5.08 -1.04 -1.25 -1.53 114.28 111.04 1zg2 n THR 26 Ca -0.06 -2.24 -0.19 0.00 -2.04 0.00 0.00 64.05 59.52 1zg2 n THR 26 Cb 0.53 0.04 -0.17 0.00 -1.82 0.00 0.00 70.33 68.91 1zg2 n THR 26 CO 0.00 0.00 0.00 1.51 -0.64 0.00 0.00 175.07 175.94 1zg2 s ASP 27 N -0.52 0.75 0.54 8.00 -4.77 -1.26 -4.87 116.67 114.54 1zg2 s ASP 27 Ca 0.32 -0.04 0.28 0.00 -3.30 0.00 0.00 52.55 49.81 1zg2 s ASP 27 Cb 0.12 -0.28 1.54 0.00 -1.09 0.00 0.00 42.92 43.21 1zg2 s ASP 27 CO -0.15 -0.12 2.12 0.58 0.70 0.00 0.00 175.17 178.29 1zg2 h VAL 28 N 6.26 0.56 -0.50 2.11 2.07 -1.99 -3.23 116.25 121.52 1zg2 h VAL 28 Ca -0.35 -0.40 0.08 0.00 0.82 0.00 0.00 66.70 66.85 1zg2 h VAL 28 Cb 1.13 1.26 -0.06 0.00 -1.52 0.00 0.00 31.29 32.09 1zg2 h VAL 28 CO 0.41 0.09 0.14 -0.78 0.02 0.00 0.00 177.57 177.44 1zg2 h ASP 29 N 0.00 0.09 -0.83 0.57 3.58 -2.00 -1.48 116.42 116.36 1zg2 h ASP 29 Ca -0.00 0.07 0.05 0.00 0.42 0.00 0.00 57.03 57.58 1zg2 h ASP 29 Cb 0.25 0.08 -0.05 0.00 1.72 0.00 0.00 39.33 41.33 1zg2 h ASP 29 CO 0.01 0.08 0.55 -0.09 -2.88 0.00 0.00 179.24 176.90 1zg2 h ARG 30 N 0.29 0.94 0.61 0.28 2.43 -1.98 0.13 114.38 117.08 1zg2 h ARG 30 Ca 0.25 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.33 1zg2 h ARG 30 Cb 0.30 -0.21 0.01 0.00 -0.42 0.00 0.00 29.97 29.64 1zg2 h ARG 30 CO -0.29 0.62 -0.29 0.00 -1.51 0.00 0.00 179.97 178.51 1zg2 h ARG 31 N 0.97 -0.79 -0.51 0.20 3.08 -1.47 -2.27 114.38 113.60 1zg2 h ARG 31 Ca 0.35 0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.43 1zg2 h ARG 31 Cb 0.14 0.18 -0.03 0.00 0.08 0.00 0.00 29.97 30.34 1zg2 h ARG 31 CO -0.12 -0.48 0.25 0.97 -1.07 0.00 0.00 179.97 179.52 1zg2 h ILE 32 N -1.12 1.17 -0.55 2.04 2.10 -1.35 -2.44 117.51 117.36 1zg2 h ILE 32 Ca -0.08 -0.47 0.03 0.00 1.08 0.00 0.00 64.86 65.42 1zg2 h ILE 32 Cb 0.67 0.51 -0.04 0.00 -1.09 0.00 0.00 36.82 36.88 1zg2 h ILE 32 CO 0.14 0.19 0.32 0.50 -1.08 0.00 0.00 178.15 178.23 1zg2 h LYS 33 N 0.71 0.62 -0.75 2.19 3.64 -0.71 0.14 116.57 122.41 1zg2 h LYS 33 Ca 0.18 -0.04 0.01 0.00 -1.27 0.00 0.00 60.65 59.53 1zg2 h LYS 33 Cb 0.07 -0.14 -0.04 0.00 -0.41 0.00 0.00 32.23 31.71 1zg2 h LYS 33 CO -0.03 0.41 0.49 -0.22 -2.27 0.00 0.00 179.45 177.84 1zg2 h LYS 34 N 0.64 0.99 -0.32 1.90 3.64 -0.93 0.25 116.57 122.74 1zg2 h LYS 34 Ca 0.22 -0.07 -0.07 0.00 -1.27 0.00 0.00 60.65 59.47 1zg2 h LYS 34 Cb 0.04 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 31.63 1zg2 h LYS 34 CO -0.11 0.67 -0.09 0.45 -2.27 0.00 0.00 179.45 178.10 1zg2 h HIS 35 N 1.02 0.70 -0.54 1.91 3.86 -1.13 -0.02 115.15 120.95 1zg2 h HIS 35 Ca 0.27 -0.15 -0.01 0.00 -1.16 0.00 0.00 60.37 59.32 1zg2 h HIS 35 Cb -0.10 -0.17 -0.03 0.00 1.06 0.00 0.00 27.41 28.17 1zg2 h HIS 35 CO -0.02 0.81 0.29 0.00 0.86 0.00 0.00 177.93 179.87 1zg2 h ALA 36 N 0.79 0.69 -0.12 2.45 0.00 -0.45 -2.96 119.26 119.66 1zg2 h ALA 36 Ca 0.08 -0.10 -0.12 0.00 0.00 0.00 0.00 54.91 54.77 1zg2 h ALA 36 Cb 0.59 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1zg2 h ALA 36 CO 0.03 0.21 -0.46 0.77 0.00 0.00 0.00 179.25 179.81 1zg2 h SER 37 N 0.72 0.32 -0.08 0.00 0.02 -0.41 -3.09 113.55 111.05 1zg2 h SER 37 Ca 0.19 -0.15 0.02 0.00 -0.84 0.00 0.00 61.79 61.01 1zg2 h SER 37 Cb 0.05 -0.09 -0.00 0.00 0.14 0.00 0.00 62.40 62.50 1zg2 h SER 37 CO -0.03 0.74 0.12 1.23 -1.14 0.00 0.00 176.83 177.75 1zg2 h GLY 38 N 1.25 0.00 -7.32 -3.77 0.00 -0.82 -3.30 103.07 89.11 1zg2 h GLY 38 Ca 0.02 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 47.09 1zg2 h GLY 38 CO 0.07 0.00 0.69 1.25 0.00 0.00 0.00 176.54 178.55 1zg2 s LYS 39 N -4.47 2.28 0.00 4.80 2.47 -1.17 -2.43 119.74 121.22 1zg2 s LYS 39 Ca -0.05 0.15 0.00 0.00 -1.56 0.00 0.00 55.97 54.51 1zg2 s LYS 39 Cb 0.14 -4.87 0.00 0.00 -1.46 0.00 0.00 37.83 31.64 1zg2 s LYS 39 CO 0.49 -3.57 0.00 0.41 0.16 0.00 0.00 175.35 172.83 1zg2 n GLY 40 N 6.64 0.93 3.28 5.54 0.00 -1.26 -5.08 105.19 115.24 1zg2 n GLY 40 Ca 0.39 -0.56 -0.10 0.00 0.00 0.00 0.00 46.02 45.75 1zg2 n GLY 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1zg2 s ALA 41 N -2.16 0.50 0.27 4.61 0.00 -1.02 -5.16 121.76 118.80 1zg2 s ALA 41 Ca 0.00 -1.25 0.09 0.00 0.00 0.00 0.00 51.96 50.80 1zg2 s ALA 41 Cb 0.00 1.02 -0.04 0.00 0.00 0.00 0.00 23.12 24.10 1zg2 s ALA 41 CO 0.00 -0.62 0.02 0.21 0.00 0.00 0.00 175.76 175.38 1zg2 s LYS 42 N -4.04 2.36 0.42 0.00 2.20 -1.26 -4.83 119.74 114.58 1zg2 s LYS 42 Ca 0.25 -1.39 0.10 0.00 -0.36 0.00 0.00 55.97 54.58 1zg2 s LYS 42 Cb 0.05 -2.20 0.93 0.00 -1.51 0.00 0.00 37.83 35.09 1zg2 s LYS 42 CO 0.05 0.36 2.01 -0.92 -0.36 0.00 0.00 175.35 176.48 1zg2 h TYR 43 N 1.83 0.51 -2.14 4.03 5.03 -2.00 -3.43 116.97 120.80 1zg2 h TYR 43 Ca -0.45 0.01 -0.58 0.00 2.58 0.00 0.00 58.73 60.30 1zg2 h TYR 43 Cb 1.25 -0.17 -0.00 0.00 1.55 0.00 0.00 36.73 39.36 1zg2 h TYR 43 CO 0.67 0.28 1.42 0.99 -1.32 0.00 0.00 178.16 180.20 1zg2 s THR 44 N -5.47 3.08 -0.30 1.81 2.01 -1.26 -4.93 115.64 110.59 1zg2 s THR 44 Ca -0.08 0.09 -0.09 0.00 0.31 0.00 0.00 61.69 61.92 1zg2 s THR 44 Cb 0.19 -3.10 0.14 0.00 0.01 0.00 0.00 72.50 69.74 1zg2 s THR 44 CO 0.74 -0.06 0.67 -0.60 -0.69 0.00 0.00 174.62 174.69 1zg2 s ARG 45 N 5.97 0.55 0.00 4.92 3.52 -1.26 -5.16 118.95 127.48 1zg2 s ARG 45 Ca 0.96 1.31 0.00 0.00 -0.13 0.00 0.00 55.73 57.86 1zg2 s ARG 45 Cb -0.33 0.78 0.00 0.00 -1.56 0.00 0.00 34.95 33.84 1zg2 s ARG 45 CO 0.36 -0.27 0.00 0.41 -0.81 0.00 0.00 175.30 174.99 1zg2 n GLY 46 N 5.41 2.28 1.59 8.12 0.00 -1.26 -5.09 105.19 116.24 1zg2 n GLY 46 Ca -0.10 -1.23 0.00 0.00 0.00 0.00 0.00 46.02 44.69 1zg2 n GLY 46 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1zg2 n ARG 47 N -1.21 0.00 0.00 1.61 1.85 -1.26 -5.18 116.66 112.47 1zg2 n ARG 47 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 1zg2 n ARG 47 Cb 0.00 -0.01 0.00 0.00 -1.05 0.00 0.00 32.46 31.40 1zg2 n ARG 47 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1zg2 n GLY 48 N -1.29 0.99 1.39 2.89 0.00 -1.26 -4.91 105.19 103.00 1zg2 n GLY 48 Ca 0.00 -1.93 0.05 0.00 0.00 0.00 0.00 46.02 44.14 1zg2 n GLY 48 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1zg2 n PRO 49 N -0.54 3.48 -2.53 1.61 -0.04 -1.26 -5.05 135.00 130.67 1zg2 n PRO 49 Ca 0.00 -2.06 -0.42 0.00 -0.04 0.00 0.00 63.50 60.97 1zg2 n PRO 49 Cb 0.00 -1.96 -0.02 0.00 -0.04 0.00 0.00 33.50 31.47 1zg2 n PRO 49 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1zg2 s PHE 50 N -2.10 2.57 -0.36 0.54 0.08 -1.26 -4.26 117.98 113.18 1zg2 s PHE 50 Ca 0.36 0.50 -0.19 0.00 0.12 0.00 0.00 56.93 57.72 1zg2 s PHE 50 Cb 0.27 -4.47 0.00 0.00 -0.57 0.00 0.00 43.02 38.25 1zg2 s PHE 50 CO 0.11 -1.63 0.55 0.50 -0.10 0.00 0.00 175.22 174.66 1zg2 s ARG 51 N 4.96 3.57 -0.22 0.44 3.52 -0.62 -4.87 118.95 125.73 1zg2 s ARG 51 Ca 0.47 -0.16 -0.29 0.00 -0.13 0.00 0.00 55.73 55.62 1zg2 s ARG 51 Cb -0.08 -3.83 -0.02 0.00 -1.56 0.00 0.00 34.95 29.46 1zg2 s ARG 51 CO 0.27 -0.72 1.46 -1.17 -0.81 0.00 0.00 175.30 174.34 1zg2 s LEU 52 N 2.51 3.98 -0.16 -0.88 2.96 -1.26 0.59 118.68 126.41 1zg2 s LEU 52 Ca 0.20 1.57 -0.21 0.00 -0.22 0.00 0.00 54.13 55.47 1zg2 s LEU 52 Cb -0.15 -3.54 -0.23 0.00 0.50 0.00 0.00 46.19 42.77 1zg2 s LEU 52 CO 0.14 -1.09 0.45 0.58 -1.32 0.00 0.00 176.35 175.11 1zg2 h VAL 53 N 5.92 1.13 -2.62 1.68 2.07 -1.73 -3.48 116.25 119.22 1zg2 h VAL 53 Ca -0.31 -2.29 0.13 0.00 0.82 0.00 0.00 66.70 65.05 1zg2 h VAL 53 Cb 1.13 2.64 -0.06 0.00 -1.52 0.00 0.00 31.29 33.48 1zg2 h VAL 53 CO 1.00 0.52 0.39 0.00 0.02 0.00 0.00 177.57 179.50 1zg2 s ALA 54 N -2.37 -1.43 -0.03 1.67 0.00 -1.25 -4.77 121.76 113.57 1zg2 s ALA 54 Ca -0.24 -0.13 -0.01 0.00 0.00 0.00 0.00 51.96 51.59 1zg2 s ALA 54 Cb 0.04 0.72 0.03 0.00 0.00 0.00 0.00 23.12 23.91 1zg2 s ALA 54 CO 0.67 -1.04 0.05 0.99 0.00 0.00 0.00 175.76 176.43 1zg2 s THR 55 N -3.31 -0.07 -0.26 0.00 2.01 -1.26 -3.02 115.64 109.73 1zg2 s THR 55 Ca 0.13 0.26 -0.02 0.00 0.31 0.00 0.00 61.69 62.36 1zg2 s THR 55 Cb -0.03 -0.12 0.02 0.00 0.01 0.00 0.00 72.50 72.39 1zg2 s THR 55 CO 0.05 0.11 -0.04 0.26 -0.69 0.00 0.00 174.62 174.31 1zg2 s TRP 56 N 1.31 3.09 -0.22 4.92 0.51 0.06 -4.94 118.94 123.67 1zg2 s TRP 56 Ca -0.06 -1.46 -0.09 0.00 -2.12 0.00 0.00 56.10 52.36 1zg2 s TRP 56 Cb -0.13 -2.09 -0.04 0.00 -0.81 0.00 0.00 33.47 30.40 1zg2 s TRP 56 CO -0.03 -0.70 0.11 0.00 -0.51 0.00 0.00 176.95 175.81 1zg2 s ALA 57 N 1.35 3.47 -0.14 0.98 0.00 -1.26 0.33 121.76 126.49 1zg2 s ALA 57 Ca 0.00 -0.87 0.00 0.00 0.00 0.00 0.00 51.96 51.09 1zg2 s ALA 57 Cb -0.17 -2.14 0.02 0.00 0.00 0.00 0.00 23.12 20.83 1zg2 s ALA 57 CO -0.03 -0.11 -0.13 -0.06 0.00 0.00 0.00 175.76 175.43 1zg2 s PHE 58 N 0.90 2.03 -1.07 0.00 0.08 -0.47 -4.98 117.98 114.46 1zg2 s PHE 58 Ca 0.06 -1.11 0.19 0.00 0.12 0.00 0.00 56.93 56.18 1zg2 s PHE 58 Cb -0.13 -1.52 0.82 0.00 -0.57 0.00 0.00 43.02 41.62 1zg2 s PHE 58 CO 0.03 -0.62 1.59 -2.30 -0.10 0.00 0.00 175.22 173.82 1zg2 n PRO 59 N 4.75 0.05 -3.69 0.24 -0.02 -1.26 -3.92 135.00 131.14 1zg2 n PRO 59 Ca -0.16 0.17 -0.37 0.00 -2.02 0.00 0.00 63.50 61.12 1zg2 n PRO 59 Cb 0.50 -1.50 -0.07 0.00 -0.02 0.00 0.00 33.50 32.42 1zg2 n PRO 59 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 1zg2 s SER 60 N -2.93 6.46 0.05 2.55 0.01 -1.26 -4.95 113.70 113.64 1zg2 s SER 60 Ca 0.11 0.55 -0.33 0.00 1.31 0.00 0.00 55.95 57.58 1zg2 s SER 60 Cb 0.12 -2.14 -0.19 0.00 0.21 0.00 0.00 66.02 64.03 1zg2 s SER 60 CO 0.33 0.28 1.50 0.50 0.41 0.00 0.00 173.24 176.26 1zg2 h LYS 61 N 5.59 -0.98 -0.57 12.44 3.64 -1.96 -2.92 116.57 131.81 1zg2 h LYS 61 Ca -0.49 0.07 -0.07 0.00 -1.27 0.00 0.00 60.65 58.89 1zg2 h LYS 61 Cb 1.20 0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 33.22 1zg2 h LYS 61 CO 0.66 -0.64 0.07 1.05 -2.27 0.00 0.00 179.45 178.32 1zg2 h GLU 62 N -1.09 0.93 -0.65 1.90 9.09 -1.98 -2.25 114.58 120.53 1zg2 h GLU 62 Ca -0.10 -0.24 -0.03 0.00 0.05 0.00 0.00 59.36 59.04 1zg2 h GLU 62 Cb 0.79 -0.12 -0.03 0.00 -1.65 0.00 0.00 28.75 27.75 1zg2 h GLU 62 CO 0.17 0.88 0.29 0.93 0.05 0.00 0.00 179.01 181.33 1zg2 h GLU 63 N 0.88 0.94 -0.29 1.06 4.39 -1.97 0.21 114.58 119.79 1zg2 h GLU 63 Ca 0.18 -0.13 -0.06 0.00 0.34 0.00 0.00 59.36 59.69 1zg2 h GLU 63 Cb 0.41 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 28.88 1zg2 h GLU 63 CO 0.01 0.74 -0.04 0.00 -1.16 0.00 0.00 179.01 178.56 1zg2 h ALA 64 N 1.39 0.39 -0.39 3.43 0.00 -1.23 -1.06 119.26 121.79 1zg2 h ALA 64 Ca 0.23 -0.26 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 1zg2 h ALA 64 Cb 0.13 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1zg2 h ALA 64 CO -0.03 0.18 -0.10 0.52 0.00 0.00 0.00 179.25 179.83 1zg2 h MET 65 N 0.31 0.75 -0.06 0.00 2.86 -0.92 -2.65 114.93 115.22 1zg2 h MET 65 Ca 0.08 -0.29 -0.18 0.00 -2.06 0.00 0.00 59.70 57.25 1zg2 h MET 65 Cb 0.51 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.12 1zg2 h MET 65 CO 0.02 0.89 -0.73 0.07 1.06 0.00 0.00 176.91 178.23 1zg2 h ARG 66 N 0.56 0.33 0.30 1.72 0.11 -0.61 -1.71 114.38 115.09 1zg2 h ARG 66 Ca 0.10 -0.27 -0.01 0.00 0.10 0.00 0.00 59.98 59.89 1zg2 h ARG 66 Cb 0.62 0.06 0.00 0.00 1.11 0.00 0.00 29.97 31.76 1zg2 h ARG 66 CO 0.04 0.92 -0.14 2.35 0.10 0.00 0.00 179.97 183.24 1zg2 h TRP 67 N 0.22 -0.37 -0.14 4.08 7.01 -1.15 0.18 115.95 125.77 1zg2 h TRP 67 Ca -0.03 -0.01 0.05 0.00 2.11 0.00 0.00 58.89 61.01 1zg2 h TRP 67 Cb 1.30 0.12 -0.06 0.00 -2.10 0.00 0.00 29.16 28.41 1zg2 h TRP 67 CO 0.04 -0.12 -0.34 1.49 -2.79 0.00 0.00 178.44 176.72 1zg2 h GLU 68 N -0.58 -0.39 -0.96 2.65 4.57 -1.51 -0.98 114.58 117.38 1zg2 h GLU 68 Ca -0.04 0.03 0.08 0.00 -1.18 0.00 0.00 59.36 58.25 1zg2 h GLU 68 Cb 0.42 0.09 -0.07 0.00 -0.16 0.00 0.00 28.75 29.03 1zg2 h GLU 68 CO 0.07 -0.26 0.62 -0.92 -1.18 0.00 0.00 179.01 177.34 1zg2 h TYR 69 N -0.40 1.10 0.01 0.92 3.20 -1.17 -0.81 116.97 119.82 1zg2 h TYR 69 Ca 0.10 0.03 -0.23 0.00 3.14 0.00 0.00 58.73 61.76 1zg2 h TYR 69 Cb 0.56 -0.36 0.00 0.00 1.54 0.00 0.00 36.73 38.47 1zg2 h TYR 69 CO -0.42 0.53 -0.96 0.93 -1.64 0.00 0.00 178.16 176.59 1zg2 h GLU 70 N 1.04 0.44 0.00 1.82 4.39 -0.19 -0.94 114.58 121.14 1zg2 h GLU 70 Ca 0.43 -0.48 -0.09 0.00 0.34 0.00 0.00 59.36 59.57 1zg2 h GLU 70 Cb 0.30 0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 29.07 1zg2 h GLU 70 CO -0.19 1.13 -0.42 0.28 -1.16 0.00 0.00 179.01 178.65 1zg2 h VAL 71 N 0.24 1.09 0.00 3.13 2.07 -0.74 0.23 116.25 122.27 1zg2 h VAL 71 Ca -0.09 -1.56 -0.10 0.00 0.82 0.00 0.00 66.70 65.77 1zg2 h VAL 71 Cb 1.60 1.90 -0.01 0.00 -1.52 0.00 0.00 31.29 33.26 1zg2 h VAL 71 CO 0.17 0.41 -0.47 0.50 0.02 0.00 0.00 177.57 178.20 1zg2 h LYS 72 N 0.00 0.00 0.03 1.57 3.64 -1.05 -3.31 116.57 117.45 1zg2 h LYS 72 Ca -0.00 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.28 1zg2 h LYS 72 Cb 0.86 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.69 1zg2 h LYS 72 CO 0.05 0.47 -0.40 0.45 -2.27 0.00 0.00 179.45 177.76 1zg2 h HIS 73 N 0.00 0.34 -4.09 1.91 3.86 0.33 -3.47 115.15 114.03 1zg2 h HIS 73 Ca -0.00 -0.21 -0.49 0.00 -1.16 0.00 0.00 60.37 58.50 1zg2 h HIS 73 Cb 0.95 -0.03 0.06 0.00 1.06 0.00 0.00 27.41 29.45 1zg2 h HIS 73 CO 0.00 1.07 0.41 -0.48 0.86 0.00 0.00 177.93 179.79 1zg2 s LEU 74 N -8.29 3.74 1.05 2.43 0.05 0.64 -5.04 118.68 113.26 1zg2 s LEU 74 Ca -0.15 2.07 -0.17 0.00 0.05 0.00 0.00 54.13 55.93 1zg2 s LEU 74 Cb 0.01 -4.57 0.23 0.00 -2.05 0.00 0.00 46.19 39.81 1zg2 s LEU 74 CO 0.77 -1.11 1.27 -0.94 -0.55 0.00 0.00 176.35 175.78 1zg2 s SER 75 N -1.94 2.34 0.22 1.48 1.04 -1.26 -4.77 113.70 110.81 1zg2 s SER 75 Ca 0.70 0.33 -0.09 0.00 0.48 0.00 0.00 55.95 57.37 1zg2 s SER 75 Cb -0.21 -0.40 0.20 0.00 0.10 0.00 0.00 66.02 65.71 1zg2 s SER 75 CO 0.26 -3.22 1.87 0.03 0.98 0.00 0.00 173.24 173.16 1zg2 h ARG 76 N -1.97 0.97 -0.78 4.02 -0.00 -1.97 0.14 114.38 114.78 1zg2 h ARG 76 Ca -0.44 -0.06 0.04 0.00 -0.50 0.00 0.00 59.98 59.02 1zg2 h ARG 76 Cb 1.25 -0.22 -0.05 0.00 0.00 0.00 0.00 29.97 30.95 1zg2 h ARG 76 CO 0.35 0.64 0.50 -0.09 0.00 0.00 0.00 179.97 181.36 1zg2 h ARG 77 N 1.00 0.93 0.00 0.04 9.65 -2.00 0.11 114.38 124.11 1zg2 h ARG 77 Ca 0.30 -0.06 -0.17 0.00 -1.10 0.00 0.00 59.98 58.96 1zg2 h ARG 77 Cb -0.04 -0.21 -0.02 0.00 -1.39 0.00 0.00 29.97 28.30 1zg2 h ARG 77 CO -0.09 0.62 -0.80 -0.22 2.80 0.00 0.00 179.97 182.28 1zg2 h LYS 78 N 0.96 0.00 -0.81 0.20 3.64 -1.84 -2.39 116.57 116.33 1zg2 h LYS 78 Ca 0.32 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.66 1zg2 h LYS 78 Cb 0.03 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 31.82 1zg2 h LYS 78 CO -0.12 0.80 0.34 -0.22 -2.27 0.00 0.00 179.45 177.98 1zg2 h LYS 79 N 0.00 1.20 -0.39 1.90 3.64 0.07 0.71 116.57 123.71 1zg2 h LYS 79 Ca -0.01 -0.20 -0.04 0.00 -1.27 0.00 0.00 60.65 59.13 1zg2 h LYS 79 Cb 1.56 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 33.17 1zg2 h LYS 79 CO 0.10 0.95 0.09 0.93 -2.27 0.00 0.00 179.45 179.25 1zg2 h GLU 80 N 1.17 0.62 -0.62 1.90 5.08 -0.74 -2.98 114.58 119.02 1zg2 h GLU 80 Ca 0.27 -0.15 -0.01 0.00 -1.00 0.00 0.00 59.36 58.47 1zg2 h GLU 80 Cb 0.19 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.33 1zg2 h GLU 80 CO -0.03 0.66 0.35 1.96 -1.00 0.00 0.00 179.01 180.96 1zg2 h GLN 81 N 0.48 0.84 -0.50 2.33 1.08 -0.89 0.31 115.11 118.76 1zg2 h GLN 81 Ca 0.12 -0.08 0.02 0.00 -1.45 0.00 0.00 58.65 57.27 1zg2 h GLN 81 Cb 0.32 -0.18 -0.03 0.00 -0.05 0.00 0.00 27.48 27.54 1zg2 h GLN 81 CO 0.00 0.61 0.29 1.25 -0.95 0.00 0.00 178.83 180.03 1zg2 h LEU 82 N 0.85 0.47 -0.74 1.46 6.46 -0.73 -0.72 115.31 122.36 1zg2 h LEU 82 Ca 0.22 0.01 -0.11 0.00 -0.12 0.00 0.00 57.88 57.88 1zg2 h LEU 82 Cb -0.00 -0.09 -0.02 0.00 -0.73 0.00 0.00 40.66 39.82 1zg2 h LEU 82 CO -0.04 0.33 -0.51 0.58 -0.62 0.00 0.00 178.44 178.18 1zg2 h VAL 83 N 0.58 1.13 0.00 1.05 2.07 -1.27 -2.67 116.25 117.14 1zg2 h VAL 83 Ca 0.20 -1.91 -0.03 0.00 0.82 0.00 0.00 66.70 65.78 1zg2 h VAL 83 Cb 0.03 2.10 -0.00 0.00 -1.52 0.00 0.00 31.29 31.90 1zg2 h VAL 83 CO -0.10 0.50 -0.14 0.28 0.02 0.00 0.00 177.57 178.14 1zg2 h SER 84 N 0.00 0.00 0.14 0.57 0.02 0.03 -2.46 113.55 111.85 1zg2 h SER 84 Ca -0.01 0.00 -0.28 0.00 -0.84 0.00 0.00 61.79 60.67 1zg2 h SER 84 Cb 1.06 0.00 0.02 0.00 0.14 0.00 0.00 62.40 63.62 1zg2 h SER 84 CO 0.07 0.14 -1.13 -0.07 -1.14 0.00 0.00 176.83 174.70 1zg2 h LEU 85 N 0.00 0.82 -6.81 5.07 3.38 -0.82 -3.45 115.31 113.49 1zg2 h LEU 85 Ca -0.00 -0.71 0.11 0.00 0.09 0.00 0.00 57.88 57.37 1zg2 h LEU 85 Cb 0.55 -0.25 -0.21 0.00 0.09 0.00 0.00 40.66 40.84 1zg2 h LEU 85 CO 0.02 1.51 -0.02 -0.75 0.09 0.00 0.00 178.44 179.29 1zg2 s LYS 86 N -3.13 0.49 0.00 1.13 2.36 -0.95 -4.93 119.74 114.71 1zg2 s LYS 86 Ca -0.09 1.22 0.00 0.00 -2.55 0.00 0.00 55.97 54.55 1zg2 s LYS 86 Cb 0.07 0.73 0.00 0.00 -1.05 0.00 0.00 37.83 37.58 1zg2 s LYS 86 CO 0.92 -0.18 0.00 0.41 1.55 0.00 0.00 175.35 178.05 1zg2 n GLY 87 N 5.31 0.86 0.99 5.54 0.00 -1.08 -4.39 105.19 112.41 1zg2 n GLY 87 Ca -0.11 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.79 1zg2 n GLY 87 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1zg2 n GLY 88 N 0.00 -0.82 0.37 -0.02 0.00 -1.08 -4.58 105.19 99.06 1zg2 n GLY 88 Ca 0.00 -0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.21 1zg2 n GLY 88 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1zg2 h PRO 89 N 0.10 0.00 -0.04 1.61 0.13 -1.98 0.27 132.00 132.08 1zg2 h PRO 89 Ca -0.11 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.88 1zg2 h PRO 89 Cb 0.43 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.55 1zg2 h PRO 89 CO 0.14 0.00 -0.59 -0.92 -0.23 0.00 0.00 178.00 176.40 1zg2 h TYR 90 N 0.00 0.18 0.00 1.56 3.20 -2.03 -2.78 116.97 117.10 1zg2 h TYR 90 Ca 0.19 -0.07 0.00 0.00 3.14 0.00 0.00 58.73 61.99 1zg2 h TYR 90 Cb 0.86 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 39.10 1zg2 h TYR 90 CO 0.00 0.69 0.00 0.39 -1.64 0.00 0.00 178.16 177.60 1zg2 n GLU 91 N -3.86 0.17 -0.12 1.82 1.02 0.92 -3.08 120.64 117.52 1zg2 n GLU 91 Ca -0.02 0.02 -0.13 0.00 -0.02 0.00 0.00 57.16 57.01 1zg2 n GLU 91 Cb 0.60 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.50 1zg2 n GLU 91 CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 1zg2 h ASN 92 N 0.00 0.98 -5.73 1.62 -0.26 -1.31 -3.47 115.58 107.40 1zg2 h ASN 92 Ca 0.00 -0.47 -0.40 0.00 -0.56 0.00 0.00 56.30 54.87 1zg2 h ASN 92 Cb 0.39 -0.28 -0.11 0.00 -1.06 0.00 0.00 38.32 37.26 1zg2 h ASN 92 CO 0.00 1.25 -0.59 0.35 -1.06 0.00 0.00 177.43 177.38 1zg2 n THR 93 N -4.08 -0.89 0.03 2.81 -2.24 -1.18 -4.89 114.28 103.84 1zg2 n THR 93 Ca -0.03 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.74 1zg2 n THR 93 Cb 0.54 -1.62 -0.01 0.00 -2.10 0.00 0.00 70.33 67.14 1zg2 n THR 93 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 1zg2 h THR 94 N -1.00 0.00 0.00 4.28 2.02 -1.90 -3.49 112.91 112.82 1zg2 h THR 94 Ca -0.44 -0.04 0.00 0.00 0.77 0.00 0.00 66.41 66.70 1zg2 h THR 94 Cb 1.29 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.70 1zg2 h THR 94 CO 0.56 0.00 0.00 1.17 0.37 0.00 0.00 175.52 177.62 1zg2 n LYS 95 N -2.31 0.00 0.00 6.66 4.81 -1.26 -5.09 118.16 120.98 1zg2 n LYS 95 Ca -0.01 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.43 1zg2 n LYS 95 Cb 0.03 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.08 1zg2 n LYS 95 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1zg2 n LEU 96 N -2.47 0.00 -0.13 3.14 7.99 -1.26 -1.66 117.00 122.62 1zg2 n LEU 96 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.00 1zg2 n LEU 96 Cb 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.31 1zg2 n LEU 96 CO 0.00 0.00 0.09 -1.54 -1.51 0.00 0.00 177.39 174.43 1zg2 n SER 97 N 2.65 0.00 -4.76 -1.43 3.41 -1.26 -5.12 113.62 107.12 1zg2 n SER 97 Ca 0.00 -1.03 -0.38 0.00 -0.26 0.00 0.00 58.87 57.20 1zg2 n SER 97 Cb 0.00 -0.01 -0.06 0.00 -0.26 0.00 0.00 64.21 63.88 1zg2 n SER 97 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1zg2 s THR 98 N 0.00 5.16 -2.83 6.66 2.01 -0.67 -5.30 115.64 120.67 1zg2 s THR 98 Ca 0.00 0.86 0.23 0.00 0.31 0.00 0.00 61.69 63.08 1zg2 s THR 98 Cb 0.00 -3.76 0.18 0.00 0.01 0.00 0.00 72.50 68.93 1zg2 s THR 98 CO 0.00 0.41 1.22 0.35 -0.69 0.00 0.00 174.62 175.91