#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 6.63 -0.21 3.17 0.01 -1.26 -4.85 114.94 118.43 1zg2 s ASN 7 Ca 0.00 1.25 -0.01 0.00 -0.71 0.00 0.00 52.86 53.40 1zg2 s ASN 7 Cb 0.00 -2.37 0.06 0.00 0.41 0.00 0.00 41.25 39.35 1zg2 s ASN 7 CO 0.00 -0.36 -0.02 -1.00 -1.51 0.00 0.00 177.10 174.21 1zg2 s HIS 8 N -2.27 1.78 0.04 2.20 3.76 -0.89 -1.34 115.29 118.57 1zg2 s HIS 8 Ca 0.53 -1.32 -0.06 0.00 -0.15 0.00 0.00 55.06 54.06 1zg2 s HIS 8 Cb -0.10 -1.33 -0.05 0.00 1.11 0.00 0.00 32.58 32.21 1zg2 s HIS 8 CO 0.26 -0.69 0.30 0.71 -0.85 0.00 0.00 174.74 174.47 1zg2 s TYR 9 N 1.60 3.56 -0.24 1.40 2.02 0.76 0.03 117.35 126.47 1zg2 s TYR 9 Ca -0.03 0.57 0.02 0.00 -0.37 0.00 0.00 57.07 57.26 1zg2 s TYR 9 Cb -0.18 -1.99 0.05 0.00 -0.40 0.00 0.00 41.96 39.44 1zg2 s TYR 9 CO -0.07 0.57 -0.12 0.08 -1.57 0.00 0.00 175.55 174.44 1zg2 s VAL 10 N -1.39 2.05 0.04 0.71 1.01 0.17 -1.36 120.40 121.63 1zg2 s VAL 10 Ca 0.31 -1.45 0.03 0.00 0.00 0.00 0.00 61.98 60.87 1zg2 s VAL 10 Cb -0.13 -2.13 -0.04 0.00 0.00 0.00 0.00 36.38 34.08 1zg2 s VAL 10 CO 0.19 0.06 -0.00 -0.72 0.00 0.00 0.00 175.10 174.63 1zg2 s TYR 11 N 1.18 3.03 -0.16 5.22 -0.85 -0.94 -1.46 117.35 123.37 1zg2 s TYR 11 Ca -0.06 0.03 -0.00 0.00 -0.52 0.00 0.00 57.07 56.51 1zg2 s TYR 11 Cb -0.19 -1.61 0.04 0.00 0.38 0.00 0.00 41.96 40.58 1zg2 s TYR 11 CO -0.07 0.46 -0.05 -1.50 -1.52 0.00 0.00 175.55 172.87 1zg2 s ILE 12 N -1.17 1.10 -0.16 -3.49 2.07 -0.66 -1.36 121.20 117.53 1zg2 s ILE 12 Ca 0.22 -0.60 -0.02 0.00 -1.41 0.00 0.00 60.65 58.84 1zg2 s ILE 12 Cb -0.12 -1.26 -0.01 0.00 0.13 0.00 0.00 42.46 41.20 1zg2 s ILE 12 CO 0.13 0.15 -0.09 -0.76 -1.91 0.00 0.00 174.94 172.47 1zg2 s LEU 13 N 1.64 2.86 -0.43 8.50 1.43 -0.43 -2.61 118.68 129.64 1zg2 s LEU 13 Ca 0.01 -0.31 -0.29 0.00 -1.03 0.00 0.00 54.13 52.51 1zg2 s LEU 13 Cb -0.15 -1.68 0.03 0.00 0.03 0.00 0.00 46.19 44.42 1zg2 s LEU 13 CO -0.08 0.12 1.10 -0.70 0.23 0.00 0.00 176.35 177.02 1zg2 s GLU 14 N 0.66 3.82 0.23 1.70 2.12 0.21 0.27 118.70 127.71 1zg2 s GLU 14 Ca -0.05 0.70 -0.02 0.00 0.36 0.00 0.00 54.97 55.96 1zg2 s GLU 14 Cb -0.15 -3.86 -0.04 0.00 0.26 0.00 0.00 34.13 30.34 1zg2 s GLU 14 CO 0.02 -1.22 0.44 0.00 -0.54 0.00 0.00 175.26 173.96 1zg2 h LYS 16 N 1.86 0.00 0.00 0.00 3.64 -1.88 -0.68 116.57 119.51 1zg2 h LYS 16 Ca -0.48 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 1zg2 h LYS 16 Cb 1.19 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 1zg2 h LYS 16 CO 0.67 0.00 0.00 -0.25 -2.27 0.00 0.00 179.45 177.60 1zg2 n ASP 17 N -2.98 0.00 0.00 4.20 9.92 -1.26 -4.85 116.55 121.58 1zg2 n ASP 17 Ca -0.03 -0.61 0.00 0.00 -0.53 0.00 0.00 54.79 53.62 1zg2 n ASP 17 Cb 0.07 -0.05 0.00 0.00 -0.64 0.00 0.00 41.12 40.50 1zg2 n ASP 17 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1zg2 n GLY 18 N 0.51 0.72 3.40 0.44 0.00 -0.26 -5.04 105.19 104.95 1zg2 n GLY 18 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 1zg2 n GLY 18 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1zg2 s SER 19 N -2.20 3.39 -0.18 1.61 0.01 -1.25 -4.97 113.70 110.12 1zg2 s SER 19 Ca 0.00 -0.67 -0.18 0.00 1.31 0.00 0.00 55.95 56.41 1zg2 s SER 19 Cb 0.00 -0.30 -0.04 0.00 0.21 0.00 0.00 66.02 65.89 1zg2 s SER 19 CO 0.00 0.20 0.48 0.26 0.41 0.00 0.00 173.24 174.59 1zg2 s TRP 20 N -1.01 3.42 -0.60 2.43 0.51 -1.26 -1.61 118.94 120.82 1zg2 s TRP 20 Ca 0.14 0.77 -0.21 0.00 -2.12 0.00 0.00 56.10 54.69 1zg2 s TRP 20 Cb -0.10 -2.60 0.08 0.00 -0.81 0.00 0.00 33.47 30.04 1zg2 s TRP 20 CO 0.06 0.00 0.80 -0.47 -0.51 0.00 0.00 176.95 176.83 1zg2 s TYR 21 N 1.25 2.87 -0.46 -1.98 5.04 0.14 -4.83 117.35 119.38 1zg2 s TYR 21 Ca 0.23 -0.65 -0.20 0.00 -2.44 0.00 0.00 57.07 54.01 1zg2 s TYR 21 Cb -0.15 -4.03 0.04 0.00 0.35 0.00 0.00 41.96 38.17 1zg2 s TYR 21 CO 0.09 -1.38 0.62 0.99 -1.34 0.00 0.00 175.55 174.54 1zg2 s THR 22 N 3.27 4.86 -0.04 4.34 2.01 -1.26 -1.32 115.64 127.51 1zg2 s THR 22 Ca 0.18 -0.15 0.03 0.00 0.31 0.00 0.00 61.69 62.05 1zg2 s THR 22 Cb -0.20 -4.23 0.00 0.00 0.01 0.00 0.00 72.50 68.09 1zg2 s THR 22 CO 0.10 -0.67 -0.11 -0.83 -0.69 0.00 0.00 174.62 172.42 1zg2 s GLY 23 N 2.24 0.66 0.10 4.40 0.00 -0.46 -4.97 107.32 109.29 1zg2 s GLY 23 Ca 0.19 -0.42 -0.28 0.00 0.00 0.00 0.00 44.72 44.21 1zg2 s GLY 23 CO 0.16 -0.09 0.87 -0.47 0.00 0.00 0.00 173.10 173.57 1zg2 s TYR 24 N 0.26 3.81 -0.08 1.90 5.04 -1.26 -2.21 117.35 124.81 1zg2 s TYR 24 Ca -0.05 1.68 -0.04 0.00 -2.44 0.00 0.00 57.07 56.21 1zg2 s TYR 24 Cb -0.11 -2.94 0.04 0.00 0.35 0.00 0.00 41.96 39.30 1zg2 s TYR 24 CO 0.01 0.28 0.18 0.99 -1.34 0.00 0.00 175.55 175.67 1zg2 s THR 25 N -0.20 -0.04 0.88 4.34 2.01 -0.47 -5.02 115.64 117.14 1zg2 s THR 25 Ca 0.42 0.15 -0.15 0.00 0.31 0.00 0.00 61.69 62.42 1zg2 s THR 25 Cb -0.22 -0.28 0.21 0.00 0.01 0.00 0.00 72.50 72.21 1zg2 s THR 25 CO 0.27 0.06 1.09 0.41 -0.69 0.00 0.00 174.62 175.76 1zg2 n THR 26 N 4.05 0.00 -0.79 -0.82 -1.04 -1.26 -0.17 114.28 114.24 1zg2 n THR 26 Ca -0.24 -0.74 -0.19 0.00 -2.04 0.00 0.00 64.05 60.84 1zg2 n THR 26 Cb 0.53 -1.50 0.16 0.00 -1.82 0.00 0.00 70.33 67.70 1zg2 n THR 26 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1zg2 n ASP 27 N -3.92 -1.84 0.25 8.00 -0.08 -0.45 -4.71 116.55 113.79 1zg2 n ASP 27 Ca 0.14 -0.90 0.13 0.00 -1.51 0.00 0.00 54.79 52.65 1zg2 n ASP 27 Cb 0.49 -0.64 0.71 0.00 2.34 0.00 0.00 41.12 44.02 1zg2 n ASP 27 CO 0.00 0.00 0.00 1.62 0.12 0.00 0.00 177.20 178.94 1zg2 h VAL 28 N -2.35 0.00 -0.59 5.18 3.04 -1.97 -1.93 116.25 117.62 1zg2 h VAL 28 Ca -0.26 0.00 0.08 0.00 -1.01 0.00 0.00 66.70 65.51 1zg2 h VAL 28 Cb 0.81 0.58 -0.07 0.00 -2.01 0.00 0.00 31.29 30.60 1zg2 h VAL 28 CO 0.17 0.00 0.24 -2.24 -1.01 0.00 0.00 177.57 174.73 1zg2 h ASP 29 N 0.00 0.26 0.05 3.17 2.03 -1.97 -0.40 116.42 119.56 1zg2 h ASP 29 Ca 0.00 0.07 -0.19 0.00 -0.73 0.00 0.00 57.03 56.17 1zg2 h ASP 29 Cb 0.35 0.03 0.00 0.00 -0.83 0.00 0.00 39.33 38.89 1zg2 h ASP 29 CO 0.00 0.16 -0.70 -0.09 -1.03 0.00 0.00 179.24 177.58 1zg2 h ARG 30 N 0.44 0.59 1.01 4.15 2.43 -1.65 -2.45 114.38 118.89 1zg2 h ARG 30 Ca 0.29 -0.45 -0.05 0.00 -0.81 0.00 0.00 59.98 58.96 1zg2 h ARG 30 Cb 0.33 0.08 0.01 0.00 -0.42 0.00 0.00 29.97 29.97 1zg2 h ARG 30 CO -0.27 1.07 -0.49 -0.09 -1.51 0.00 0.00 179.97 178.68 1zg2 h ARG 31 N 0.42 -1.31 -0.84 0.20 2.43 -1.40 0.51 114.38 114.39 1zg2 h ARG 31 Ca -0.03 0.09 -0.03 0.00 -0.81 0.00 0.00 59.98 59.21 1zg2 h ARG 31 Cb 1.29 0.30 -0.04 0.00 -0.42 0.00 0.00 29.97 31.10 1zg2 h ARG 31 CO 0.13 -0.87 0.42 0.97 -1.51 0.00 0.00 179.97 179.11 1zg2 h ILE 32 N -1.36 1.25 0.49 1.20 2.10 -1.21 -2.59 117.51 117.39 1zg2 h ILE 32 Ca -0.14 -0.69 -0.02 0.00 1.08 0.00 0.00 64.86 65.09 1zg2 h ILE 32 Cb 1.04 0.16 0.00 0.00 -1.09 0.00 0.00 36.82 36.94 1zg2 h ILE 32 CO 0.23 0.30 -0.23 0.50 -1.08 0.00 0.00 178.15 177.86 1zg2 h LYS 33 N 1.19 -0.63 -0.93 2.19 3.64 -1.33 0.04 116.57 120.74 1zg2 h LYS 33 Ca 0.29 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.71 1zg2 h LYS 33 Cb 0.09 0.14 -0.05 0.00 -0.41 0.00 0.00 32.23 32.01 1zg2 h LYS 33 CO -0.04 -0.39 0.58 -0.22 -2.27 0.00 0.00 179.45 177.11 1zg2 h LYS 34 N -0.72 1.24 -0.38 1.90 1.63 -0.87 0.15 116.57 119.53 1zg2 h LYS 34 Ca -0.07 -0.10 -0.07 0.00 -0.85 0.00 0.00 60.65 59.56 1zg2 h LYS 34 Cb 0.53 -0.27 -0.01 0.00 -0.60 0.00 0.00 32.23 31.88 1zg2 h LYS 34 CO 0.11 0.85 -0.05 1.25 -3.45 0.00 0.00 179.45 178.16 1zg2 h HIS 35 N 1.27 0.78 -0.82 1.91 2.76 -1.37 0.75 115.15 120.43 1zg2 h HIS 35 Ca 0.34 -0.15 -0.02 0.00 -2.20 0.00 0.00 60.37 58.33 1zg2 h HIS 35 Cb -0.09 -0.19 -0.04 0.00 1.55 0.00 0.00 27.41 28.64 1zg2 h HIS 35 CO 0.00 0.82 0.43 0.00 -1.30 0.00 0.00 177.93 177.89 1zg2 h ALA 36 N 0.85 1.05 -0.34 5.26 0.00 -0.21 -1.55 119.26 124.31 1zg2 h ALA 36 Ca 0.10 -0.14 -0.12 0.00 0.00 0.00 0.00 54.91 54.76 1zg2 h ALA 36 Cb 0.55 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1zg2 h ALA 36 CO 0.03 0.58 -0.25 0.77 0.00 0.00 0.00 179.25 180.39 1zg2 h SER 37 N 1.15 0.81 -0.29 0.00 0.02 -0.57 -3.20 113.55 111.47 1zg2 h SER 37 Ca 0.29 -0.44 0.02 0.00 -0.84 0.00 0.00 61.79 60.82 1zg2 h SER 37 Cb 0.06 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.35 1zg2 h SER 37 CO -0.04 1.07 0.15 1.23 -1.14 0.00 0.00 176.83 178.10 1zg2 h GLY 38 N 0.55 0.39 -6.07 -3.77 0.00 -0.61 -3.48 103.07 90.08 1zg2 h GLY 38 Ca 0.07 -0.11 -0.18 0.00 0.00 0.00 0.00 47.33 47.11 1zg2 h GLY 38 CO 0.07 0.09 -0.98 1.17 0.00 0.00 0.00 176.54 176.88 1zg2 n LYS 39 N -4.96 -1.86 0.00 4.80 4.81 -0.60 -3.57 118.16 116.78 1zg2 n LYS 39 Ca -0.01 1.60 0.00 0.00 -0.87 0.00 0.00 58.31 59.03 1zg2 n LYS 39 Cb 0.07 -3.02 0.00 0.00 0.02 0.00 0.00 35.03 32.10 1zg2 n LYS 39 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1zg2 n GLY 40 N 0.21 2.62 3.54 3.14 0.00 -1.26 -5.01 105.19 108.44 1zg2 n GLY 40 Ca -0.01 -0.77 -0.41 0.00 0.00 0.00 0.00 46.02 44.83 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 -0.75 2.79 -0.19 4.61 0.00 -1.23 -4.78 121.76 122.21 1zg2 s ALA 41 Ca 0.00 -2.08 0.21 0.00 0.00 0.00 0.00 51.96 50.09 1zg2 s ALA 41 Cb 0.00 -4.40 -0.07 0.00 0.00 0.00 0.00 23.12 18.65 1zg2 s ALA 41 CO 0.00 -3.45 0.91 1.63 0.00 0.00 0.00 175.76 174.85 1zg2 n LYS 42 N 8.75 0.62 -1.54 0.00 5.02 -1.26 -4.67 118.16 125.08 1zg2 n LYS 42 Ca 0.24 0.09 0.00 0.00 -2.02 0.00 0.00 58.31 56.62 1zg2 n LYS 42 Cb 0.50 -1.78 0.00 0.00 -0.02 0.00 0.00 35.03 33.73 1zg2 n LYS 42 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1zg2 n TYR 43 N -2.66 -2.62 -0.25 2.13 4.02 -1.26 -4.76 117.16 111.75 1zg2 n TYR 43 Ca -0.03 1.57 0.00 0.00 -0.01 0.00 0.00 57.90 59.43 1zg2 n TYR 43 Cb 0.61 -2.95 0.00 0.00 -0.02 0.00 0.00 39.34 36.98 1zg2 n TYR 43 CO 0.00 0.00 0.00 -2.37 -1.01 0.00 0.00 176.86 173.48 1zg2 n THR 44 N 1.00 1.64 0.00 -0.72 5.66 -1.26 -4.81 114.28 115.79 1zg2 n THR 44 Ca 0.00 -0.38 0.00 0.00 -3.05 0.00 0.00 64.05 60.62 1zg2 n THR 44 Cb 0.00 -1.37 0.00 0.00 -1.55 0.00 0.00 70.33 67.41 1zg2 n THR 44 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 1zg2 n ARG 45 N 1.42 0.00 0.00 1.09 1.74 -1.26 -4.73 116.66 114.92 1zg2 n ARG 45 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1zg2 n ARG 45 Cb 0.44 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.88 1zg2 n ARG 45 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1zg2 n GLY 46 N 0.00 1.11 3.12 -0.13 0.00 -1.26 -4.97 105.19 103.06 1zg2 n GLY 46 Ca 0.00 -0.61 -0.09 0.00 0.00 0.00 0.00 46.02 45.31 1zg2 n GLY 46 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1zg2 n ARG 47 N 0.00 -1.77 0.00 1.61 0.63 -1.26 -4.94 116.66 110.93 1zg2 n ARG 47 Ca 0.00 1.62 0.00 0.00 -0.92 0.00 0.00 57.85 58.55 1zg2 n ARG 47 Cb 0.00 -4.98 0.00 0.00 0.45 0.00 0.00 32.46 27.93 1zg2 n ARG 47 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1zg2 n GLY 48 N -1.10 3.28 3.72 5.14 0.00 -1.26 -4.96 105.19 110.01 1zg2 n GLY 48 Ca -0.01 -1.55 -0.38 0.00 0.00 0.00 0.00 46.02 44.08 1zg2 n GLY 48 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1zg2 s PRO 49 N -4.92 4.31 -0.07 1.61 0.05 -1.26 -5.14 135.00 129.57 1zg2 s PRO 49 Ca 0.00 0.37 -0.03 0.00 0.05 0.00 0.00 61.00 61.38 1zg2 s PRO 49 Cb 0.00 -3.45 0.04 0.00 0.05 0.00 0.00 34.50 31.14 1zg2 s PRO 49 CO 0.00 0.14 0.17 -0.59 0.05 0.00 0.00 177.00 176.76 1zg2 s PHE 50 N 0.71 -0.20 -0.14 0.56 -0.71 -1.26 -4.30 117.98 112.65 1zg2 s PHE 50 Ca 0.24 0.54 0.01 0.00 -1.04 0.00 0.00 56.93 56.68 1zg2 s PHE 50 Cb -0.15 -0.06 -0.00 0.00 -1.21 0.00 0.00 43.02 41.60 1zg2 s PHE 50 CO 0.09 -0.18 -0.17 0.50 -1.34 0.00 0.00 175.22 174.12 1zg2 s ARG 51 N 1.17 3.22 -0.46 1.99 3.52 0.27 -4.91 118.95 123.75 1zg2 s ARG 51 Ca -0.09 -0.76 -0.28 0.00 -0.13 0.00 0.00 55.73 54.47 1zg2 s ARG 51 Cb -0.11 -2.56 0.03 0.00 -1.56 0.00 0.00 34.95 30.75 1zg2 s ARG 51 CO -0.06 0.10 1.08 -1.17 -0.81 0.00 0.00 175.30 174.43 1zg2 s LEU 52 N 0.60 3.75 -0.12 -0.88 2.96 -1.26 0.67 118.68 124.41 1zg2 s LEU 52 Ca -0.09 0.41 -0.18 0.00 -0.22 0.00 0.00 54.13 54.05 1zg2 s LEU 52 Cb -0.16 -3.45 -0.26 0.00 0.50 0.00 0.00 46.19 42.82 1zg2 s LEU 52 CO 0.03 -1.17 0.54 0.58 -1.32 0.00 0.00 176.35 175.00 1zg2 h VAL 53 N 6.16 1.11 -1.97 1.68 2.07 -1.88 -3.48 116.25 119.93 1zg2 h VAL 53 Ca -0.23 -2.36 0.14 0.00 0.82 0.00 0.00 66.70 65.07 1zg2 h VAL 53 Cb 1.06 2.73 -0.17 0.00 -1.52 0.00 0.00 31.29 33.39 1zg2 h VAL 53 CO 1.09 0.63 0.58 0.00 0.02 0.00 0.00 177.57 179.89 1zg2 s ALA 54 N -2.43 -1.90 -0.19 1.67 0.00 -1.23 -5.06 121.76 112.62 1zg2 s ALA 54 Ca -0.21 1.25 -0.09 0.00 0.00 0.00 0.00 51.96 52.90 1zg2 s ALA 54 Cb 0.04 0.10 0.07 0.00 0.00 0.00 0.00 23.12 23.33 1zg2 s ALA 54 CO 0.73 -0.60 0.45 0.99 0.00 0.00 0.00 175.76 177.33 1zg2 s THR 55 N -2.62 -0.19 0.29 0.00 2.01 -1.26 -1.65 115.64 112.21 1zg2 s THR 55 Ca 0.05 0.10 0.04 0.00 0.31 0.00 0.00 61.69 62.19 1zg2 s THR 55 Cb -0.01 -0.67 -0.02 0.00 0.01 0.00 0.00 72.50 71.81 1zg2 s THR 55 CO -0.06 0.04 0.30 -2.67 -0.69 0.00 0.00 174.62 171.54 1zg2 n TRP 56 N 4.56 -0.89 -3.85 4.92 2.14 -0.54 -5.00 117.44 118.79 1zg2 n TRP 56 Ca -0.19 -2.30 -0.10 0.00 2.07 0.00 0.00 57.50 56.97 1zg2 n TRP 56 Cb 0.54 0.32 -0.08 0.00 -0.81 0.00 0.00 31.31 31.28 1zg2 n TRP 56 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 1zg2 s ALA 57 N -3.00 -0.35 0.00 -1.67 0.00 -1.26 0.46 121.76 115.95 1zg2 s ALA 57 Ca 0.32 -0.33 0.04 0.00 0.00 0.00 0.00 51.96 51.99 1zg2 s ALA 57 Cb 0.01 0.31 -0.01 0.00 0.00 0.00 0.00 23.12 23.43 1zg2 s ALA 57 CO 0.22 -0.39 -0.14 -0.06 0.00 0.00 0.00 175.76 175.40 1zg2 s PHE 58 N -2.76 1.24 -0.02 0.00 0.08 0.10 -4.96 117.98 111.66 1zg2 s PHE 58 Ca -0.04 -0.27 0.24 0.00 0.12 0.00 0.00 56.93 56.98 1zg2 s PHE 58 Cb -0.00 -0.78 0.74 0.00 -0.57 0.00 0.00 43.02 42.41 1zg2 s PHE 58 CO -0.05 -0.00 1.75 -1.35 -0.10 0.00 0.00 175.22 175.46 1zg2 h PRO 59 N 5.55 0.00 -5.36 0.24 0.11 -1.89 -2.37 132.00 128.27 1zg2 h PRO 59 Ca -0.35 0.00 -0.60 0.00 0.11 0.00 0.00 66.00 65.16 1zg2 h PRO 59 Cb 1.17 0.00 -0.12 0.00 0.11 0.00 0.00 31.00 32.16 1zg2 h PRO 59 CO 0.47 0.20 -0.35 -1.54 -0.21 0.00 0.00 178.00 176.58 1zg2 s SER 60 N -6.16 6.34 0.12 -2.05 1.04 -1.26 -4.78 113.70 106.94 1zg2 s SER 60 Ca 0.02 0.39 -0.20 0.00 0.48 0.00 0.00 55.95 56.65 1zg2 s SER 60 Cb 0.09 -2.17 -0.07 0.00 0.10 0.00 0.00 66.02 63.97 1zg2 s SER 60 CO 0.65 0.06 1.74 0.50 0.98 0.00 0.00 173.24 177.17 1zg2 h LYS 61 N 7.02 0.28 -0.07 4.02 3.11 -1.92 -1.27 116.57 127.73 1zg2 h LYS 61 Ca -0.39 -0.02 0.04 0.00 -2.81 0.00 0.00 60.65 57.46 1zg2 h LYS 61 Cb 1.16 -0.06 -0.04 0.00 -1.00 0.00 0.00 32.23 32.29 1zg2 h LYS 61 CO 0.73 0.22 -0.17 0.93 -2.81 0.00 0.00 179.45 178.35 1zg2 h GLU 62 N 0.25 -0.24 -0.44 1.90 5.08 -1.98 0.20 114.58 119.35 1zg2 h GLU 62 Ca 0.07 0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.40 1zg2 h GLU 62 Cb 0.02 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 1zg2 h GLU 62 CO -0.01 -0.16 0.10 0.93 -1.00 0.00 0.00 179.01 178.87 1zg2 h GLU 63 N -0.24 0.71 -0.53 2.33 4.39 -1.97 0.24 114.58 119.51 1zg2 h GLU 63 Ca 0.08 -0.18 -0.02 0.00 0.34 0.00 0.00 59.36 59.58 1zg2 h GLU 63 Cb 0.36 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.89 1zg2 h GLU 63 CO -0.22 0.72 0.25 0.00 -1.16 0.00 0.00 179.01 178.60 1zg2 h ALA 64 N 0.96 0.68 -0.12 3.43 0.00 -0.89 0.29 119.26 123.61 1zg2 h ALA 64 Ca 0.14 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 1zg2 h ALA 64 Cb 0.34 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 1zg2 h ALA 64 CO 0.00 0.25 -0.06 1.98 0.00 0.00 0.00 179.25 181.42 1zg2 h MET 65 N 0.71 0.26 -0.44 0.00 1.85 -0.47 -2.53 114.93 114.32 1zg2 h MET 65 Ca 0.18 -0.12 0.03 0.00 -0.61 0.00 0.00 59.70 59.19 1zg2 h MET 65 Cb 0.13 -0.01 -0.04 0.00 0.43 0.00 0.00 31.60 32.11 1zg2 h MET 65 CO -0.02 0.61 0.22 -0.09 -0.40 0.00 0.00 176.91 177.22 1zg2 h ARG 66 N -0.09 0.43 0.06 0.39 2.43 -0.38 -2.78 114.38 114.44 1zg2 h ARG 66 Ca 0.03 -0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.19 1zg2 h ARG 66 Cb 0.53 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.95 1zg2 h ARG 66 CO 0.02 0.28 -0.22 2.35 -1.51 0.00 0.00 179.97 180.90 1zg2 h TRP 67 N 0.44 -0.58 0.00 2.20 7.01 -0.38 0.26 115.95 124.90 1zg2 h TRP 67 Ca 0.19 0.01 0.03 0.00 2.11 0.00 0.00 58.89 61.23 1zg2 h TRP 67 Cb 0.09 0.25 -0.06 0.00 -2.10 0.00 0.00 29.16 27.35 1zg2 h TRP 67 CO -0.10 -0.31 -0.43 1.49 -2.79 0.00 0.00 178.44 176.30 1zg2 h GLU 68 N -0.38 -0.57 -0.54 2.65 4.81 -1.32 -0.69 114.58 118.55 1zg2 h GLU 68 Ca 0.04 0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.30 1zg2 h GLU 68 Cb 0.43 0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.91 1zg2 h GLU 68 CO -0.16 -0.38 0.29 -0.92 -0.73 0.00 0.00 179.01 177.11 1zg2 h TYR 69 N -0.59 0.75 -0.59 0.92 3.20 -1.29 -1.50 116.97 117.88 1zg2 h TYR 69 Ca 0.04 -0.02 0.01 0.00 3.14 0.00 0.00 58.73 61.90 1zg2 h TYR 69 Cb 0.66 -0.24 -0.03 0.00 1.54 0.00 0.00 36.73 38.66 1zg2 h TYR 69 CO -0.43 0.56 0.38 1.49 -1.64 0.00 0.00 178.16 178.52 1zg2 h GLU 70 N 0.72 0.75 -0.31 1.82 4.81 -0.08 0.15 114.58 122.44 1zg2 h GLU 70 Ca 0.19 -0.05 -0.14 0.00 -0.13 0.00 0.00 59.36 59.23 1zg2 h GLU 70 Cb 0.07 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 29.27 1zg2 h GLU 70 CO -0.03 0.50 -0.36 0.28 -0.73 0.00 0.00 179.01 178.67 1zg2 h VAL 71 N 0.78 1.29 0.00 0.32 2.07 -0.93 -0.57 116.25 119.20 1zg2 h VAL 71 Ca 0.22 -1.54 0.00 0.00 0.82 0.00 0.00 66.70 66.20 1zg2 h VAL 71 Cb -0.07 1.54 0.00 0.00 -1.52 0.00 0.00 31.29 31.25 1zg2 h VAL 71 CO -0.06 0.50 0.00 2.29 0.02 0.00 0.00 177.57 180.32 1zg2 n LYS 72 N -4.16 0.20 0.01 1.57 2.85 -0.58 -2.20 118.16 115.84 1zg2 n LYS 72 Ca -0.04 0.38 0.11 0.00 -1.05 0.00 0.00 58.31 57.71 1zg2 n LYS 72 Cb 0.52 -1.85 0.02 0.00 -0.65 0.00 0.00 35.03 33.07 1zg2 n LYS 72 CO 0.00 0.00 0.00 1.58 -0.05 0.00 0.00 177.40 178.93 1zg2 n HIS 73 N -2.21 0.14 -1.38 5.58 -0.00 0.51 -4.95 115.22 112.91 1zg2 n HIS 73 Ca 0.03 0.04 -0.30 0.00 0.46 0.00 0.00 57.72 57.94 1zg2 n HIS 73 Cb 0.26 -0.30 0.10 0.00 -0.12 0.00 0.00 29.99 29.93 1zg2 n HIS 73 CO 0.00 0.00 0.00 -0.51 0.46 0.00 0.00 176.34 176.29 1zg2 s LEU 74 N -3.56 2.70 0.68 0.27 1.43 -0.27 -5.03 118.68 114.90 1zg2 s LEU 74 Ca 0.05 1.55 -0.13 0.00 -1.03 0.00 0.00 54.13 54.57 1zg2 s LEU 74 Cb 0.15 -4.17 0.01 0.00 0.03 0.00 0.00 46.19 42.21 1zg2 s LEU 74 CO 0.81 -2.09 1.09 -0.55 0.23 0.00 0.00 176.35 175.84 1zg2 s SER 75 N -3.61 5.07 0.52 2.29 0.15 -1.26 -4.80 113.70 112.06 1zg2 s SER 75 Ca 0.61 1.89 0.18 0.00 0.70 0.00 0.00 55.95 59.33 1zg2 s SER 75 Cb -0.16 -2.54 1.31 0.00 -1.71 0.00 0.00 66.02 62.92 1zg2 s SER 75 CO 0.56 -1.65 2.13 -0.09 1.20 0.00 0.00 173.24 175.38 1zg2 h ARG 76 N -0.29 0.00 -0.45 5.44 1.12 -1.96 -0.39 114.38 117.85 1zg2 h ARG 76 Ca -0.46 0.00 -0.14 0.00 -1.11 0.00 0.00 59.98 58.28 1zg2 h ARG 76 Cb 1.23 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 31.18 1zg2 h ARG 76 CO 0.54 0.00 -0.25 -0.09 -3.11 0.00 0.00 179.97 177.06 1zg2 h ARG 77 N 0.00 0.97 -0.26 0.20 2.43 -1.99 -1.69 114.38 114.03 1zg2 h ARG 77 Ca 0.04 -0.44 -0.17 0.00 -0.81 0.00 0.00 59.98 58.60 1zg2 h ARG 77 Cb 0.15 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 29.67 1zg2 h ARG 77 CO -0.00 1.11 -0.53 0.87 -1.51 0.00 0.00 179.97 179.91 1zg2 h LYS 78 N 0.81 0.77 -0.52 0.20 6.56 -1.47 0.19 116.57 123.11 1zg2 h LYS 78 Ca 0.10 -0.48 -0.01 0.00 -1.06 0.00 0.00 60.65 59.20 1zg2 h LYS 78 Cb 0.83 0.05 -0.02 0.00 -0.57 0.00 0.00 32.23 32.52 1zg2 h LYS 78 CO 0.07 1.10 0.27 -0.22 -2.06 0.00 0.00 179.45 178.62 1zg2 h LYS 79 N 0.60 0.74 -0.45 3.15 3.64 -1.24 0.63 116.57 123.63 1zg2 h LYS 79 Ca 0.02 -0.10 -0.06 0.00 -1.27 0.00 0.00 60.65 59.24 1zg2 h LYS 79 Cb 1.11 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.77 1zg2 h LYS 79 CO 0.11 0.59 0.03 1.49 -2.27 0.00 0.00 179.45 179.40 1zg2 h GLU 80 N 0.70 0.78 -0.86 1.90 4.81 -1.16 -2.24 114.58 118.51 1zg2 h GLU 80 Ca 0.18 -0.23 -0.01 0.00 -0.13 0.00 0.00 59.36 59.17 1zg2 h GLU 80 Cb 0.08 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.34 1zg2 h GLU 80 CO -0.03 0.82 0.52 0.37 -0.73 0.00 0.00 179.01 179.96 1zg2 h GLN 81 N 0.63 1.17 -0.58 1.92 5.75 -0.34 -0.17 115.11 123.49 1zg2 h GLN 81 Ca 0.13 -0.11 -0.07 0.00 -0.15 0.00 0.00 58.65 58.45 1zg2 h GLN 81 Cb 0.45 -0.24 -0.02 0.00 1.07 0.00 0.00 27.48 28.73 1zg2 h GLN 81 CO 0.02 0.82 0.09 1.25 -2.65 0.00 0.00 178.83 178.36 1zg2 h LEU 82 N 1.18 0.93 -0.79 -2.39 6.46 -0.70 0.11 115.31 120.10 1zg2 h LEU 82 Ca 0.31 -0.26 -0.12 0.00 -0.12 0.00 0.00 57.88 57.69 1zg2 h LEU 82 Cb -0.04 -0.25 -0.01 0.00 -0.73 0.00 0.00 40.66 39.63 1zg2 h LEU 82 CO -0.06 0.96 -0.38 0.58 -0.62 0.00 0.00 178.44 178.92 1zg2 h VAL 83 N 0.86 1.30 0.00 1.05 2.07 -1.07 -1.43 116.25 119.04 1zg2 h VAL 83 Ca 0.18 -1.50 -0.04 0.00 0.82 0.00 0.00 66.70 66.15 1zg2 h VAL 83 Cb 0.43 1.55 -0.01 0.00 -1.52 0.00 0.00 31.29 31.74 1zg2 h VAL 83 CO 0.01 0.47 -0.21 0.28 0.02 0.00 0.00 177.57 178.14 1zg2 h SER 84 N 0.39 0.00 -0.48 0.57 0.02 -0.57 -2.07 113.55 111.41 1zg2 h SER 84 Ca 0.04 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 1zg2 h SER 84 Cb 0.84 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.38 1zg2 h SER 84 CO 0.07 0.21 0.00 0.18 -1.14 0.00 0.00 176.83 176.15 1zg2 n LEU 85 N -3.60 4.07 -4.56 5.07 7.99 0.34 -4.95 117.00 121.37 1zg2 n LEU 85 Ca -0.01 -2.06 -0.34 0.00 -0.01 0.00 0.00 56.01 53.59 1zg2 n LEU 85 Cb 0.35 -0.55 0.11 0.00 -0.11 0.00 0.00 43.42 43.21 1zg2 n LEU 85 CO 0.33 0.61 0.35 2.29 -1.51 0.00 0.00 177.39 179.45 1zg2 n LYS 86 N 0.70 0.12 0.00 3.23 2.85 -0.78 -4.83 118.16 119.45 1zg2 n LYS 86 Ca 0.20 0.10 0.00 0.00 -1.05 0.00 0.00 58.31 57.56 1zg2 n LYS 86 Cb 0.81 -2.11 0.00 0.00 -0.65 0.00 0.00 35.03 33.08 1zg2 n LYS 86 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1zg2 n GLY 87 N 1.12 1.67 0.00 2.58 0.00 -1.26 -4.76 105.19 104.54 1zg2 n GLY 87 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 0.51 0.00 1.10 -0.02 0.00 -1.26 -3.26 105.19 102.26 1zg2 n GLY 88 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.06 1zg2 n GLY 88 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1zg2 n PRO 89 N 0.00 2.73 -3.35 1.61 -0.04 -1.26 -4.67 135.00 130.02 1zg2 n PRO 89 Ca 0.00 -1.49 -0.14 0.00 -0.04 0.00 0.00 63.50 61.83 1zg2 n PRO 89 Cb 0.00 -1.78 -0.08 0.00 -0.04 0.00 0.00 33.50 31.60 1zg2 n PRO 89 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 1zg2 s TYR 90 N -1.80 -0.58 0.79 0.54 1.13 -1.20 -5.15 117.35 111.07 1zg2 s TYR 90 Ca 0.26 -0.28 -0.11 0.00 -1.41 0.00 0.00 57.07 55.53 1zg2 s TYR 90 Cb 0.19 -0.34 0.06 0.00 -1.10 0.00 0.00 41.96 40.77 1zg2 s TYR 90 CO 0.09 -0.97 1.08 -2.00 -2.51 0.00 0.00 175.55 171.25 1zg2 s GLU 91 N 2.05 2.16 0.00 -3.49 2.12 -1.24 -3.76 118.70 116.53 1zg2 s GLU 91 Ca 0.12 0.92 0.00 0.00 0.36 0.00 0.00 54.97 56.37 1zg2 s GLU 91 Cb -0.14 -1.90 0.00 0.00 0.26 0.00 0.00 34.13 32.35 1zg2 s GLU 91 CO -0.21 -1.64 0.00 0.09 -0.54 0.00 0.00 175.26 172.96 1zg2 n ASN 92 N -3.49 0.00 -1.69 -1.70 5.03 -1.26 -4.53 115.26 107.62 1zg2 n ASN 92 Ca 0.08 0.00 -0.15 0.00 0.87 0.00 0.00 54.58 55.38 1zg2 n ASN 92 Cb 0.54 0.00 -0.05 0.00 -1.02 0.00 0.00 39.78 39.26 1zg2 n ASN 92 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.26 175.78 1zg2 n THR 93 N 0.00 -0.18 -2.18 3.41 -2.24 -1.25 -4.87 114.28 106.97 1zg2 n THR 93 Ca 0.00 0.00 -0.39 0.00 -2.27 0.00 0.00 64.05 61.39 1zg2 n THR 93 Cb 0.00 -1.58 -0.03 0.00 -2.10 0.00 0.00 70.33 66.62 1zg2 n THR 93 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1zg2 s THR 94 N -2.37 3.48 -0.00 4.28 -1.32 -1.26 -4.63 115.64 113.82 1zg2 s THR 94 Ca 0.00 0.30 0.00 0.00 -1.21 0.00 0.00 61.69 60.78 1zg2 s THR 94 Cb 0.00 -4.20 0.00 0.00 -1.51 0.00 0.00 72.50 66.79 1zg2 s THR 94 CO 0.00 -1.14 0.78 2.29 -2.21 0.00 0.00 174.62 174.35 1zg2 n LYS 95 N 9.17 0.02 -1.52 7.08 -0.00 -1.26 -5.07 118.16 126.58 1zg2 n LYS 95 Ca 0.16 -0.79 -0.20 0.00 -0.00 0.00 0.00 58.31 57.48 1zg2 n LYS 95 Cb 0.51 -0.51 -0.17 0.00 -0.00 0.00 0.00 35.03 34.87 1zg2 n LYS 95 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1zg2 n LEU 96 N -0.01 -0.19 -3.10 -5.58 4.77 -1.26 -4.74 117.00 106.90 1zg2 n LEU 96 Ca 0.00 -0.87 -0.02 0.00 -0.03 0.00 0.00 56.01 55.09 1zg2 n LEU 96 Cb 0.61 -0.97 -0.01 0.00 -2.33 0.00 0.00 43.42 40.72 1zg2 n LEU 96 CO 0.00 -1.85 0.08 -0.44 -1.33 0.00 0.00 177.39 173.84 1zg2 s SER 97 N 4.37 -1.29 0.00 -1.43 0.01 -1.26 -4.99 113.70 109.11 1zg2 s SER 97 Ca 1.18 -1.13 0.00 0.00 1.31 0.00 0.00 55.95 57.30 1zg2 s SER 97 Cb -0.59 1.82 0.00 0.00 0.21 0.00 0.00 66.02 67.46 1zg2 s SER 97 CO 0.39 -0.14 0.00 0.41 0.41 0.00 0.00 173.24 174.31 1zg2 n THR 98 N 3.97 0.00 -0.89 1.44 -1.04 -1.26 -5.31 114.28 111.20 1zg2 n THR 98 Ca 0.13 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.14 1zg2 n THR 98 Cb 0.56 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.07 1zg2 n THR 98 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84