#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 6.69 -0.43 7.83 0.01 -1.26 -4.44 114.94 123.34 1zg2 s ASN 7 Ca 0.00 0.85 -0.18 0.00 -0.71 0.00 0.00 52.86 52.82 1zg2 s ASN 7 Cb 0.00 -2.38 0.03 0.00 0.41 0.00 0.00 41.25 39.31 1zg2 s ASN 7 CO 0.00 -0.41 0.46 -1.00 -1.51 0.00 0.00 177.10 174.64 1zg2 s HIS 8 N 2.56 3.16 -0.40 2.20 3.76 0.10 -3.97 115.29 122.70 1zg2 s HIS 8 Ca 0.30 -0.38 -0.17 0.00 -0.15 0.00 0.00 55.06 54.65 1zg2 s HIS 8 Cb -0.15 -2.98 0.01 0.00 1.11 0.00 0.00 32.58 30.57 1zg2 s HIS 8 CO 0.08 -0.74 0.46 0.71 -0.85 0.00 0.00 174.74 174.40 1zg2 s TYR 9 N 2.21 3.17 -0.42 1.40 1.51 0.34 -0.67 117.35 124.89 1zg2 s TYR 9 Ca 0.13 -0.21 -0.21 0.00 -1.01 0.00 0.00 57.07 55.77 1zg2 s TYR 9 Cb -0.17 -2.91 0.02 0.00 -0.11 0.00 0.00 41.96 38.79 1zg2 s TYR 9 CO 0.14 -0.65 0.67 0.08 -1.11 0.00 0.00 175.55 174.67 1zg2 s VAL 10 N 2.22 4.81 -0.06 0.71 1.01 0.11 -2.35 120.40 126.85 1zg2 s VAL 10 Ca 0.14 0.31 0.04 0.00 0.00 0.00 0.00 61.98 62.48 1zg2 s VAL 10 Cb -0.16 -4.19 -0.00 0.00 0.00 0.00 0.00 36.38 32.02 1zg2 s VAL 10 CO 0.14 -0.54 -0.19 -0.72 0.00 0.00 0.00 175.10 173.79 1zg2 s TYR 11 N 2.88 1.92 -0.23 5.22 1.13 -0.96 -0.37 117.35 126.95 1zg2 s TYR 11 Ca 0.25 -0.62 0.00 0.00 -1.41 0.00 0.00 57.07 55.29 1zg2 s TYR 11 Cb -0.14 -1.30 0.03 0.00 -1.10 0.00 0.00 41.96 39.45 1zg2 s TYR 11 CO 0.18 -0.23 -0.12 -1.50 -2.51 0.00 0.00 175.55 171.38 1zg2 s ILE 12 N 0.14 2.48 -0.15 -3.49 2.07 -1.05 -0.04 121.20 121.16 1zg2 s ILE 12 Ca -0.08 -1.09 -0.02 0.00 -1.41 0.00 0.00 60.65 58.05 1zg2 s ILE 12 Cb -0.13 -2.22 -0.02 0.00 0.13 0.00 0.00 42.46 40.21 1zg2 s ILE 12 CO 0.04 0.28 -0.09 -0.76 -1.91 0.00 0.00 174.94 172.50 1zg2 s LEU 13 N 1.28 2.92 -0.08 8.50 1.43 -0.07 -2.32 118.68 130.33 1zg2 s LEU 13 Ca 0.00 -0.26 -0.27 0.00 -1.03 0.00 0.00 54.13 52.57 1zg2 s LEU 13 Cb -0.16 -1.68 -0.02 0.00 0.03 0.00 0.00 46.19 44.35 1zg2 s LEU 13 CO -0.07 0.15 0.88 -0.70 0.23 0.00 0.00 176.35 176.84 1zg2 s GLU 14 N 0.44 4.44 0.72 1.70 2.12 -0.05 0.50 118.70 128.57 1zg2 s GLU 14 Ca -0.07 1.18 -0.08 0.00 0.36 0.00 0.00 54.97 56.36 1zg2 s GLU 14 Cb -0.15 -3.50 0.06 0.00 0.26 0.00 0.00 34.13 30.80 1zg2 s GLU 14 CO 0.04 -0.15 1.04 0.00 -0.54 0.00 0.00 175.26 175.65 1zg2 h LYS 16 N -0.65 0.12 0.00 0.00 2.10 -1.00 -3.27 116.57 113.87 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 1.31 -0.03 0.00 0.00 -0.90 0.00 0.00 32.23 32.62 1zg2 h LYS 16 CO 0.61 0.10 0.00 -0.40 -2.00 0.00 0.00 179.45 177.77 1zg2 n ASP 17 N -4.50 0.00 0.00 7.07 5.68 -1.26 -5.00 116.55 118.54 1zg2 n ASP 17 Ca -0.02 0.61 0.00 0.00 -0.50 0.00 0.00 54.79 54.89 1zg2 n ASP 17 Cb 0.10 -0.47 0.00 0.00 -1.14 0.00 0.00 41.12 39.61 1zg2 n ASP 17 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1zg2 n GLY 18 N 1.20 0.00 3.76 6.12 0.00 -1.23 -5.11 105.19 109.93 1zg2 n GLY 18 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 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 0.00 7.01 -0.22 1.61 0.15 -1.26 -4.72 113.70 116.27 1zg2 s SER 19 Ca 0.00 2.48 -0.19 0.00 0.70 0.00 0.00 55.95 58.95 1zg2 s SER 19 Cb 0.00 -2.64 -0.03 0.00 -1.71 0.00 0.00 66.02 61.64 1zg2 s SER 19 CO 0.00 -0.34 0.53 0.26 1.20 0.00 0.00 173.24 174.89 1zg2 s TRP 20 N -1.15 3.34 -0.51 3.44 0.51 -1.26 -1.56 118.94 121.75 1zg2 s TRP 20 Ca 0.47 0.75 -0.18 0.00 -2.12 0.00 0.00 56.10 55.02 1zg2 s TRP 20 Cb -0.36 -2.71 0.07 0.00 -0.81 0.00 0.00 33.47 29.66 1zg2 s TRP 20 CO 0.47 -0.17 0.57 -0.47 -0.51 0.00 0.00 176.95 176.84 1zg2 s TYR 21 N 1.90 3.10 -0.75 -1.98 5.04 0.18 -4.86 117.35 119.97 1zg2 s TYR 21 Ca 0.24 -0.70 -0.22 0.00 -2.44 0.00 0.00 57.07 53.95 1zg2 s TYR 21 Cb -0.15 -3.51 0.08 0.00 0.35 0.00 0.00 41.96 38.73 1zg2 s TYR 21 CO 0.09 -1.00 1.05 0.99 -1.34 0.00 0.00 175.55 175.35 1zg2 s THR 22 N 2.37 4.36 0.29 4.34 2.01 -1.26 -0.89 115.64 126.86 1zg2 s THR 22 Ca 0.12 -0.65 0.06 0.00 0.31 0.00 0.00 61.69 61.53 1zg2 s THR 22 Cb -0.21 -4.75 -0.02 0.00 0.01 0.00 0.00 72.50 67.53 1zg2 s THR 22 CO 0.10 -1.53 0.36 -0.83 -0.69 0.00 0.00 174.62 172.03 1zg2 s GLY 23 N 3.76 1.49 -0.12 4.40 0.00 0.94 -4.97 107.32 112.82 1zg2 s GLY 23 Ca 0.27 -1.42 -0.03 0.00 0.00 0.00 0.00 44.72 43.54 1zg2 s GLY 23 CO 0.04 -1.39 0.06 -0.47 0.00 0.00 0.00 173.10 171.34 1zg2 s TYR 24 N -2.14 0.34 -0.01 1.90 5.04 -1.26 -2.26 117.35 118.96 1zg2 s TYR 24 Ca 0.39 -0.19 0.05 0.00 -2.44 0.00 0.00 57.07 54.88 1zg2 s TYR 24 Cb -0.08 -0.69 -0.01 0.00 0.35 0.00 0.00 41.96 41.52 1zg2 s TYR 24 CO 0.29 -0.40 -0.17 -0.08 -1.34 0.00 0.00 175.55 173.85 1zg2 s THR 25 N 2.08 1.35 -0.44 4.34 -1.32 -0.99 -5.01 115.64 115.66 1zg2 s THR 25 Ca 0.03 -0.76 0.05 0.00 -1.21 0.00 0.00 61.69 59.80 1zg2 s THR 25 Cb -0.14 -1.13 0.19 0.00 -1.51 0.00 0.00 72.50 69.90 1zg2 s THR 25 CO -0.06 0.36 0.47 0.41 -2.21 0.00 0.00 174.62 173.58 1zg2 n THR 26 N 2.60 -0.85 -4.09 5.08 -1.04 -1.26 -0.50 114.28 114.22 1zg2 n THR 26 Ca -0.15 -2.88 -0.14 0.00 -2.04 0.00 0.00 64.05 58.85 1zg2 n THR 26 Cb 0.54 -0.97 -0.13 0.00 -1.82 0.00 0.00 70.33 67.95 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 0.03 0.64 0.51 8.00 1.47 -1.25 -4.91 116.67 121.16 1zg2 s ASP 27 Ca 0.33 -0.29 0.18 0.00 1.18 0.00 0.00 52.55 53.94 1zg2 s ASP 27 Cb 0.05 -0.01 1.29 0.00 -0.34 0.00 0.00 42.92 43.91 1zg2 s ASP 27 CO -0.16 -0.07 2.13 1.62 0.68 0.00 0.00 175.17 179.37 1zg2 h VAL 28 N 4.80 0.95 -0.19 2.11 3.04 -1.96 -2.33 116.25 122.67 1zg2 h VAL 28 Ca -0.31 -0.15 -0.01 0.00 -1.01 0.00 0.00 66.70 65.21 1zg2 h VAL 28 Cb 1.20 1.08 -0.01 0.00 -2.01 0.00 0.00 31.29 31.55 1zg2 h VAL 28 CO 0.46 0.04 0.06 0.44 -1.01 0.00 0.00 177.57 177.56 1zg2 h ASP 29 N 0.00 0.24 -0.04 3.17 5.19 -1.97 -3.03 116.42 119.98 1zg2 h ASP 29 Ca -0.00 -0.02 0.02 0.00 -0.62 0.00 0.00 57.03 56.42 1zg2 h ASP 29 Cb 0.08 -0.06 -0.06 0.00 0.18 0.00 0.00 39.33 39.47 1zg2 h ASP 29 CO 0.01 0.24 -0.53 0.03 -3.12 0.00 0.00 179.24 175.87 1zg2 h ARG 30 N 0.27 -0.62 0.00 3.56 2.47 -1.82 -2.27 114.38 115.98 1zg2 h ARG 30 Ca 0.07 0.04 -0.10 0.00 -1.26 0.00 0.00 59.98 58.73 1zg2 h ARG 30 Cb 0.09 0.14 0.01 0.00 -1.65 0.00 0.00 29.97 28.56 1zg2 h ARG 30 CO -0.01 -0.41 -0.39 -0.09 0.56 0.00 0.00 179.97 179.63 1zg2 h ARG 31 N -0.64 0.26 -0.30 0.04 2.43 -1.72 -2.59 114.38 111.86 1zg2 h ARG 31 Ca 0.02 -0.28 -0.00 0.00 -0.81 0.00 0.00 59.98 58.91 1zg2 h ARG 31 Cb 0.71 0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.33 1zg2 h ARG 31 CO -0.38 1.00 0.18 0.97 -1.51 0.00 0.00 179.97 180.23 1zg2 h ILE 32 N -0.36 1.11 -0.61 1.20 2.10 -1.61 -1.56 117.51 117.77 1zg2 h ILE 32 Ca -0.05 -0.26 -0.01 0.00 1.08 0.00 0.00 64.86 65.62 1zg2 h ILE 32 Cb 1.14 0.75 -0.03 0.00 -1.09 0.00 0.00 36.82 37.59 1zg2 h ILE 32 CO 0.08 0.11 0.35 0.50 -1.08 0.00 0.00 178.15 178.10 1zg2 h LYS 33 N 0.38 0.84 -0.30 2.19 3.11 -1.48 0.14 116.57 121.45 1zg2 h LYS 33 Ca 0.11 -0.09 -0.01 0.00 -2.81 0.00 0.00 60.65 57.85 1zg2 h LYS 33 Cb 0.02 -0.17 -0.02 0.00 -1.00 0.00 0.00 32.23 31.07 1zg2 h LYS 33 CO -0.02 0.62 0.13 -0.22 -2.81 0.00 0.00 179.45 177.16 1zg2 h LYS 34 N 0.82 0.41 0.10 1.90 3.64 -1.16 0.31 116.57 122.60 1zg2 h LYS 34 Ca 0.22 -0.04 -0.29 0.00 -1.27 0.00 0.00 60.65 59.26 1zg2 h LYS 34 Cb 0.02 -0.08 0.02 0.00 -0.41 0.00 0.00 32.23 31.78 1zg2 h LYS 34 CO -0.04 0.33 -1.21 0.45 -2.27 0.00 0.00 179.45 176.71 1zg2 h HIS 35 N 0.41 0.94 0.16 1.91 3.86 -0.52 0.63 115.15 122.54 1zg2 h HIS 35 Ca 0.11 -0.58 -0.01 0.00 -1.16 0.00 0.00 60.37 58.72 1zg2 h HIS 35 Cb 0.06 -0.08 0.00 0.00 1.06 0.00 0.00 27.41 28.46 1zg2 h HIS 35 CO 0.00 1.43 -0.08 0.00 0.86 0.00 0.00 177.93 180.14 1zg2 h ALA 36 N 0.36 -0.21 0.00 2.45 0.00 -0.08 -3.07 119.26 118.71 1zg2 h ALA 36 Ca -0.17 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.62 1zg2 h ALA 36 Cb 1.88 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.75 1zg2 h ALA 36 CO 0.23 -0.59 -0.45 0.77 0.00 0.00 0.00 179.25 179.21 1zg2 h SER 37 N -0.26 0.00 -0.04 0.00 0.02 -1.07 -3.32 113.55 108.88 1zg2 h SER 37 Ca -0.02 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 1zg2 h SER 37 Cb 0.20 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.74 1zg2 h SER 37 CO 0.04 0.20 0.00 0.61 -1.14 0.00 0.00 176.83 176.54 1zg2 n GLY 38 N 1.18 -0.76 3.57 -3.77 0.00 0.21 -4.59 105.19 101.04 1zg2 n GLY 38 Ca 0.01 -0.15 -0.40 0.00 0.00 0.00 0.00 46.02 45.48 1zg2 n GLY 38 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1zg2 s LYS 39 N -1.95 2.92 0.00 1.61 1.02 -1.20 -2.75 119.74 119.39 1zg2 s LYS 39 Ca 0.25 1.06 0.00 0.00 0.02 0.00 0.00 55.97 57.29 1zg2 s LYS 39 Cb 0.12 -4.31 0.00 0.00 -0.52 0.00 0.00 37.83 33.12 1zg2 s LYS 39 CO 0.19 -2.36 0.00 0.41 -0.92 0.00 0.00 175.35 172.67 1zg2 n GLY 40 N 5.59 2.96 2.66 -3.33 0.00 -1.26 -4.78 105.19 107.03 1zg2 n GLY 40 Ca 0.23 -0.78 -0.20 0.00 0.00 0.00 0.00 46.02 45.27 1zg2 n GLY 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1zg2 n ALA 41 N 0.00 -0.74 -2.05 4.61 0.00 -1.11 -4.92 120.51 116.31 1zg2 n ALA 41 Ca 0.00 0.22 -0.43 0.00 0.00 0.00 0.00 53.44 53.23 1zg2 n ALA 41 Cb 0.00 -2.92 -0.03 0.00 0.00 0.00 0.00 19.45 16.50 1zg2 n ALA 41 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1zg2 s LYS 42 N -5.31 3.69 0.20 0.00 -0.14 -1.26 -4.95 119.74 111.96 1zg2 s LYS 42 Ca 0.16 1.68 0.02 0.00 -1.36 0.00 0.00 55.97 56.46 1zg2 s LYS 42 Cb -0.07 -4.09 -0.01 0.00 -1.68 0.00 0.00 37.83 31.98 1zg2 s LYS 42 CO 0.19 -1.43 0.08 0.66 -0.76 0.00 0.00 175.35 174.09 1zg2 n TYR 43 N 8.93 0.05 0.04 3.18 4.01 -1.26 -5.03 117.16 127.08 1zg2 n TYR 43 Ca 0.20 -1.31 0.08 0.00 -0.16 0.00 0.00 57.90 56.71 1zg2 n TYR 43 Cb 0.45 0.00 0.17 0.00 -0.31 0.00 0.00 39.34 39.66 1zg2 n TYR 43 CO 0.00 0.00 0.00 2.41 -0.46 0.00 0.00 176.86 178.81 1zg2 n THR 44 N -0.45 0.68 -0.78 -0.72 -1.04 -1.26 -5.09 114.28 105.62 1zg2 n THR 44 Ca -0.03 -0.84 0.10 0.00 -2.04 0.00 0.00 64.05 61.25 1zg2 n THR 44 Cb 0.30 0.77 -0.03 0.00 -1.82 0.00 0.00 70.33 69.55 1zg2 n THR 44 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1zg2 n ARG 45 N 0.93 -1.66 -4.37 -2.82 1.74 -1.26 -4.95 116.66 104.27 1zg2 n ARG 45 Ca 0.14 1.21 -0.25 0.00 -0.77 0.00 0.00 57.85 58.19 1zg2 n ARG 45 Cb 0.47 -1.99 -0.17 0.00 -1.02 0.00 0.00 32.46 29.75 1zg2 n ARG 45 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1zg2 s GLY 46 N -5.92 0.76 0.00 -0.13 0.00 -1.26 -4.96 107.32 95.81 1zg2 s GLY 46 Ca 0.00 -0.40 0.05 0.00 0.00 0.00 0.00 44.72 44.37 1zg2 s GLY 46 CO 0.00 0.33 0.51 0.54 0.00 0.00 0.00 173.10 174.48 1zg2 n ARG 47 N 4.12 1.84 0.00 2.90 3.00 -1.26 -5.00 116.66 122.25 1zg2 n ARG 47 Ca -0.21 -0.53 0.00 0.00 -0.01 0.00 0.00 57.85 57.10 1zg2 n ARG 47 Cb 0.51 -0.97 0.00 0.00 0.00 0.00 0.00 32.46 32.00 1zg2 n ARG 47 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1zg2 n GLY 48 N 0.62 0.87 1.45 -0.13 0.00 -1.26 -4.79 105.19 101.95 1zg2 n GLY 48 Ca 0.02 -1.19 -0.08 0.00 0.00 0.00 0.00 46.02 44.78 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 -0.98 1.74 -3.86 1.61 -0.05 -1.26 -5.00 135.00 127.20 1zg2 n PRO 49 Ca 0.00 -1.30 -0.11 0.00 -0.05 0.00 0.00 63.50 62.04 1zg2 n PRO 49 Cb 0.00 -1.56 -0.09 0.00 -0.05 0.00 0.00 33.50 31.80 1zg2 n PRO 49 CO 0.00 0.00 0.00 -0.59 -0.05 0.00 0.00 175.50 174.86 1zg2 s PHE 50 N -1.47 0.05 -0.04 0.54 -0.71 -1.26 -0.30 117.98 114.78 1zg2 s PHE 50 Ca 0.24 -0.21 -0.01 0.00 -1.04 0.00 0.00 56.93 55.91 1zg2 s PHE 50 Cb 0.20 -0.04 0.03 0.00 -1.21 0.00 0.00 43.02 42.01 1zg2 s PHE 50 CO 0.05 -0.38 0.08 -0.98 -1.34 0.00 0.00 175.22 172.65 1zg2 s ARG 51 N -2.11 0.02 -0.04 1.99 1.70 -0.31 -4.70 118.95 115.50 1zg2 s ARG 51 Ca -0.09 0.26 -0.30 0.00 -0.47 0.00 0.00 55.73 55.13 1zg2 s ARG 51 Cb -0.03 -0.21 -0.04 0.00 -0.57 0.00 0.00 34.95 34.10 1zg2 s ARG 51 CO -0.02 -0.16 1.23 -1.17 -1.08 0.00 0.00 175.30 174.10 1zg2 s LEU 52 N 1.08 4.29 -0.18 -1.89 2.96 -1.26 -0.87 118.68 122.81 1zg2 s LEU 52 Ca -0.09 1.86 -0.16 0.00 -0.22 0.00 0.00 54.13 55.53 1zg2 s LEU 52 Cb -0.12 -3.56 -0.11 0.00 0.50 0.00 0.00 46.19 42.90 1zg2 s LEU 52 CO -0.04 -0.60 0.02 0.52 -1.32 0.00 0.00 176.35 174.93 1zg2 n VAL 53 N 4.59 1.48 -3.48 1.68 0.31 -0.98 -4.96 118.33 116.97 1zg2 n VAL 53 Ca 0.11 0.08 -0.15 0.00 -0.01 0.00 0.00 64.34 64.37 1zg2 n VAL 53 Cb 0.46 -2.20 -0.04 0.00 -0.91 0.00 0.00 33.84 31.14 1zg2 n VAL 53 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1zg2 s ALA 54 N -2.54 -1.71 -0.05 3.52 0.00 -1.25 -5.06 121.76 114.67 1zg2 s ALA 54 Ca -0.23 1.00 0.01 0.00 0.00 0.00 0.00 51.96 52.74 1zg2 s ALA 54 Cb 0.04 0.34 0.02 0.00 0.00 0.00 0.00 23.12 23.52 1zg2 s ALA 54 CO 0.42 -0.53 -0.04 0.95 0.00 0.00 0.00 175.76 176.56 1zg2 s THR 55 N -2.21 0.56 -0.12 0.00 -4.23 -1.26 -2.53 115.64 105.85 1zg2 s THR 55 Ca -0.06 -0.11 0.02 0.00 -1.18 0.00 0.00 61.69 60.36 1zg2 s THR 55 Cb -0.00 -0.60 -0.01 0.00 1.34 0.00 0.00 72.50 73.23 1zg2 s THR 55 CO 0.01 0.24 -0.18 0.26 -0.54 0.00 0.00 174.62 174.41 1zg2 s TRP 56 N 1.09 2.71 -0.31 3.99 0.51 0.50 -4.97 118.94 122.45 1zg2 s TRP 56 Ca -0.08 -0.81 -0.02 0.00 -2.12 0.00 0.00 56.10 53.06 1zg2 s TRP 56 Cb -0.14 -1.79 0.05 0.00 -0.81 0.00 0.00 33.47 30.78 1zg2 s TRP 56 CO -0.01 -0.30 0.02 0.00 -0.51 0.00 0.00 176.95 176.15 1zg2 s ALA 57 N 0.35 2.86 -0.17 0.98 0.00 -1.26 0.06 121.76 124.58 1zg2 s ALA 57 Ca -0.14 -1.79 -0.02 0.00 0.00 0.00 0.00 51.96 50.01 1zg2 s ALA 57 Cb -0.17 -2.00 -0.01 0.00 0.00 0.00 0.00 23.12 20.94 1zg2 s ALA 57 CO 0.07 -1.30 -0.09 -0.06 0.00 0.00 0.00 175.76 174.38 1zg2 s PHE 58 N 1.27 2.90 -0.72 0.00 0.08 0.15 -4.91 117.98 116.75 1zg2 s PHE 58 Ca -0.04 -0.72 0.26 0.00 0.12 0.00 0.00 56.93 56.55 1zg2 s PHE 58 Cb -0.20 -1.95 0.88 0.00 -0.57 0.00 0.00 43.02 41.18 1zg2 s PHE 58 CO -0.01 -0.31 1.78 -0.35 -0.10 0.00 0.00 175.22 176.23 1zg2 n PRO 59 N 3.99 0.22 -3.16 0.24 -0.04 -1.26 0.03 135.00 135.01 1zg2 n PRO 59 Ca -0.18 0.23 -0.40 0.00 -0.04 0.00 0.00 63.50 63.11 1zg2 n PRO 59 Cb 0.52 -1.78 -0.06 0.00 -0.04 0.00 0.00 33.50 32.14 1zg2 n PRO 59 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1zg2 s SER 60 N -4.29 6.69 0.08 3.54 0.01 -1.26 -4.33 113.70 114.12 1zg2 s SER 60 Ca 0.10 0.83 -0.24 0.00 1.31 0.00 0.00 55.95 57.95 1zg2 s SER 60 Cb 0.12 -2.33 -0.16 0.00 0.21 0.00 0.00 66.02 63.86 1zg2 s SER 60 CO 0.55 -0.21 1.68 0.50 0.41 0.00 0.00 173.24 176.17 1zg2 h LYS 61 N 7.32 -0.04 -0.32 12.44 3.64 -1.90 -2.27 116.57 135.45 1zg2 h LYS 61 Ca -0.34 0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.10 1zg2 h LYS 61 Cb 1.15 0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 32.93 1zg2 h LYS 61 CO 0.76 0.03 0.02 0.93 -2.27 0.00 0.00 179.45 178.92 1zg2 h GLU 62 N -0.10 0.11 0.79 1.90 3.07 -1.99 -0.69 114.58 117.67 1zg2 h GLU 62 Ca -0.00 -0.01 -0.04 0.00 -0.50 0.00 0.00 59.36 58.81 1zg2 h GLU 62 Cb 0.09 -0.03 0.01 0.00 -0.84 0.00 0.00 28.75 27.98 1zg2 h GLU 62 CO 0.01 0.07 -0.40 0.93 -1.40 0.00 0.00 179.01 178.22 1zg2 h GLU 63 N 0.11 -1.04 -0.48 2.33 4.39 -1.96 -2.17 114.58 115.75 1zg2 h GLU 63 Ca 0.15 0.07 -0.10 0.00 0.34 0.00 0.00 59.36 59.83 1zg2 h GLU 63 Cb 0.20 0.24 -0.02 0.00 -0.10 0.00 0.00 28.75 29.07 1zg2 h GLU 63 CO -0.24 -0.70 -0.09 0.00 -1.16 0.00 0.00 179.01 176.82 1zg2 h ALA 64 N -0.88 0.66 -0.74 3.43 0.00 -1.29 0.36 119.26 120.80 1zg2 h ALA 64 Ca -0.11 -0.33 -0.04 0.00 0.00 0.00 0.00 54.91 54.44 1zg2 h ALA 64 Cb 0.84 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 1zg2 h ALA 64 CO 0.17 0.55 0.32 1.98 0.00 0.00 0.00 179.25 182.26 1zg2 h MET 65 N 0.77 1.10 -0.23 0.00 1.85 -1.17 0.35 114.93 117.59 1zg2 h MET 65 Ca 0.13 -0.18 -0.08 0.00 -0.61 0.00 0.00 59.70 58.95 1zg2 h MET 65 Cb 0.63 -0.19 -0.01 0.00 0.43 0.00 0.00 31.60 32.47 1zg2 h MET 65 CO 0.04 0.88 -0.16 -0.09 -0.40 0.00 0.00 176.91 177.18 1zg2 h ARG 66 N 1.06 0.53 -0.38 0.39 2.43 -1.17 -2.84 114.38 114.39 1zg2 h ARG 66 Ca 0.25 -0.25 0.06 0.00 -0.81 0.00 0.00 59.98 59.23 1zg2 h ARG 66 Cb 0.18 -0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.67 1zg2 h ARG 66 CO -0.02 0.82 0.06 2.35 -1.51 0.00 0.00 179.97 181.66 1zg2 h TRP 67 N 0.23 0.09 0.21 2.20 7.01 0.19 -0.95 115.95 124.93 1zg2 h TRP 67 Ca 0.05 0.02 -0.00 0.00 2.11 0.00 0.00 58.89 61.07 1zg2 h TRP 67 Cb 0.69 0.02 -0.01 0.00 -2.10 0.00 0.00 29.16 27.76 1zg2 h TRP 67 CO 0.07 -0.01 -0.16 1.49 -2.79 0.00 0.00 178.44 177.05 1zg2 h GLU 68 N 0.18 -0.36 -0.39 2.65 4.81 -0.99 -2.56 114.58 117.92 1zg2 h GLU 68 Ca 0.18 0.02 0.09 0.00 -0.13 0.00 0.00 59.36 59.52 1zg2 h GLU 68 Cb 0.22 0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.67 1zg2 h GLU 68 CO -0.25 -0.24 0.27 -0.92 -0.73 0.00 0.00 179.01 177.14 1zg2 h TYR 69 N -0.37 0.14 0.49 0.92 3.20 -1.14 0.45 116.97 120.65 1zg2 h TYR 69 Ca -0.01 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.84 1zg2 h TYR 69 Cb 0.33 -0.05 0.00 0.00 1.54 0.00 0.00 36.73 38.56 1zg2 h TYR 69 CO -0.11 0.07 -0.23 0.93 -1.64 0.00 0.00 178.16 177.18 1zg2 h GLU 70 N 0.14 -0.63 -0.00 1.82 5.08 -0.88 -2.48 114.58 117.62 1zg2 h GLU 70 Ca 0.18 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 1zg2 h GLU 70 Cb 0.54 0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.94 1zg2 h GLU 70 CO -0.02 -0.42 0.01 0.28 -1.00 0.00 0.00 179.01 177.85 1zg2 h VAL 71 N -1.07 0.44 -0.31 3.13 2.07 -1.06 -0.52 116.25 118.92 1zg2 h VAL 71 Ca -0.07 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.43 1zg2 h VAL 71 Cb 0.50 0.99 -0.01 0.00 -1.52 0.00 0.00 31.29 31.25 1zg2 h VAL 71 CO 0.11 0.00 0.11 0.50 0.02 0.00 0.00 177.57 178.31 1zg2 h LYS 72 N 0.00 0.48 -0.16 1.57 1.63 -0.09 -2.96 116.57 117.04 1zg2 h LYS 72 Ca 0.00 -0.09 0.00 0.00 -0.85 0.00 0.00 60.65 59.71 1zg2 h LYS 72 Cb 0.01 -0.07 0.00 0.00 -0.60 0.00 0.00 32.23 31.57 1zg2 h LYS 72 CO -0.00 0.50 0.00 0.72 -3.45 0.00 0.00 179.45 177.22 1zg2 n HIS 73 N -4.70 0.20 -1.35 1.91 8.25 -0.35 -4.88 115.22 114.30 1zg2 n HIS 73 Ca -0.02 -0.10 -0.24 0.00 -0.26 0.00 0.00 57.72 57.10 1zg2 n HIS 73 Cb 0.15 0.00 0.18 0.00 1.12 0.00 0.00 29.99 31.44 1zg2 n HIS 73 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1zg2 n LEU 74 N 0.47 0.00 -4.10 2.41 4.77 -0.35 -5.08 117.00 115.13 1zg2 n LEU 74 Ca 0.17 -1.05 -0.15 0.00 -0.03 0.00 0.00 56.01 54.94 1zg2 n LEU 74 Cb 0.38 -0.81 -0.04 0.00 -2.33 0.00 0.00 43.42 40.61 1zg2 n LEU 74 CO 0.14 -1.60 0.14 -0.55 -1.33 0.00 0.00 177.39 174.19 1zg2 s SER 75 N -4.40 0.99 0.20 -1.43 0.15 -1.26 -4.95 113.70 102.99 1zg2 s SER 75 Ca 0.59 -1.52 -0.19 0.00 0.70 0.00 0.00 55.95 55.53 1zg2 s SER 75 Cb -0.04 0.67 0.16 0.00 -1.71 0.00 0.00 66.02 65.10 1zg2 s SER 75 CO 0.43 -1.30 1.58 -0.09 1.20 0.00 0.00 173.24 175.06 1zg2 h ARG 76 N 2.10 -0.11 -0.35 5.44 1.12 -1.97 0.76 114.38 121.37 1zg2 h ARG 76 Ca -0.28 0.01 -0.01 0.00 -1.11 0.00 0.00 59.98 58.59 1zg2 h ARG 76 Cb 1.24 0.03 -0.02 0.00 -0.01 0.00 0.00 29.97 31.21 1zg2 h ARG 76 CO 0.38 -0.08 0.19 -0.09 -3.11 0.00 0.00 179.97 177.27 1zg2 h ARG 77 N -0.12 0.48 -0.02 0.20 2.43 -1.97 0.73 114.38 116.12 1zg2 h ARG 77 Ca 0.26 -0.06 -0.17 0.00 -0.81 0.00 0.00 59.98 59.21 1zg2 h ARG 77 Cb 0.56 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.00 1zg2 h ARG 77 CO -0.75 0.41 -0.74 -0.22 -1.51 0.00 0.00 179.97 177.15 1zg2 h LYS 78 N 0.43 0.13 -0.06 0.20 1.63 -1.57 -2.11 116.57 115.22 1zg2 h LYS 78 Ca 0.12 -0.11 -0.12 0.00 -0.85 0.00 0.00 60.65 59.69 1zg2 h LYS 78 Cb 0.07 0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 31.71 1zg2 h LYS 78 CO -0.02 0.81 -0.50 -0.22 -3.45 0.00 0.00 179.45 176.07 1zg2 h LYS 79 N 0.08 0.15 -0.35 1.90 3.64 0.76 -1.42 116.57 121.34 1zg2 h LYS 79 Ca -0.02 -0.08 -0.12 0.00 -1.27 0.00 0.00 60.65 59.16 1zg2 h LYS 79 Cb 1.31 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 33.13 1zg2 h LYS 79 CO 0.11 0.62 -0.25 1.49 -2.27 0.00 0.00 179.45 179.14 1zg2 h GLU 80 N 0.12 0.79 -0.85 1.90 4.81 -0.65 -2.98 114.58 117.71 1zg2 h GLU 80 Ca 0.00 -0.38 0.10 0.00 -0.13 0.00 0.00 59.36 58.96 1zg2 h GLU 80 Cb 0.93 -0.00 -0.06 0.00 0.63 0.00 0.00 28.75 30.24 1zg2 h GLU 80 CO 0.07 1.01 0.55 0.37 -0.73 0.00 0.00 179.01 180.28 1zg2 h GLN 81 N 0.57 0.77 -0.89 1.92 4.15 -0.89 0.22 115.11 120.96 1zg2 h GLN 81 Ca 0.07 -0.05 0.11 0.00 0.77 0.00 0.00 58.65 59.56 1zg2 h GLN 81 Cb 0.82 -0.17 -0.07 0.00 0.21 0.00 0.00 27.48 28.27 1zg2 h GLN 81 CO 0.07 0.51 0.58 1.25 -1.93 0.00 0.00 178.83 179.30 1zg2 h LEU 82 N 0.79 0.75 0.15 -2.39 5.85 -1.12 -0.58 115.31 118.77 1zg2 h LEU 82 Ca 0.40 0.03 -0.33 0.00 0.84 0.00 0.00 57.88 58.82 1zg2 h LEU 82 Cb 0.47 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.37 1zg2 h LEU 82 CO -0.16 0.42 -1.68 0.58 -0.34 0.00 0.00 178.44 177.25 1zg2 h VAL 83 N 0.82 0.99 -0.81 1.05 2.07 -0.99 -3.33 116.25 116.05 1zg2 h VAL 83 Ca 0.43 -2.62 0.07 0.00 0.82 0.00 0.00 66.70 65.41 1zg2 h VAL 83 Cb 0.52 2.73 -0.05 0.00 -1.52 0.00 0.00 31.29 32.97 1zg2 h VAL 83 CO -0.19 0.83 0.53 0.28 0.02 0.00 0.00 177.57 179.04 1zg2 h SER 84 N 0.09 0.75 0.47 0.57 0.02 -0.05 0.18 113.55 115.58 1zg2 h SER 84 Ca -0.31 0.01 -0.06 0.00 -0.84 0.00 0.00 61.79 60.59 1zg2 h SER 84 Cb 2.06 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 64.44 1zg2 h SER 84 CO 0.16 0.47 -0.27 -0.07 -1.14 0.00 0.00 176.83 175.98 1zg2 h LEU 85 N 0.85 0.00 -0.36 5.07 4.07 -1.25 -2.09 115.31 121.60 1zg2 h LEU 85 Ca 0.36 0.00 -0.18 0.00 0.08 0.00 0.00 57.88 58.13 1zg2 h LEU 85 Cb 0.30 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.02 1zg2 h LEU 85 CO -0.13 0.27 -0.82 0.50 -1.08 0.00 0.00 178.44 177.18 1zg2 h LYS 86 N 0.00 0.17 0.00 1.13 3.64 -1.12 -3.47 116.57 116.93 1zg2 h LYS 86 Ca -0.00 -0.18 0.00 0.00 -1.27 0.00 0.00 60.65 59.20 1zg2 h LYS 86 Cb 0.58 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.45 1zg2 h LYS 86 CO 0.04 0.90 0.00 0.41 -2.27 0.00 0.00 179.45 178.52 1zg2 n GLY 87 N 0.75 0.42 7.00 5.01 0.00 -0.69 -5.12 105.19 112.56 1zg2 n GLY 87 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 3.44 3.60 -0.02 0.00 -0.54 -4.52 105.19 107.15 1zg2 n GLY 88 Ca 0.00 -0.15 -0.43 0.00 0.00 0.00 0.00 46.02 45.44 1zg2 n GLY 88 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1zg2 s PRO 89 N 0.00 3.47 0.25 1.61 0.02 -1.26 -4.87 135.00 134.23 1zg2 s PRO 89 Ca 0.00 0.94 -0.02 0.00 0.02 0.00 0.00 61.00 61.94 1zg2 s PRO 89 Cb 0.00 -4.08 0.32 0.00 0.02 0.00 0.00 34.50 30.76 1zg2 s PRO 89 CO 0.00 -1.70 1.75 1.88 -0.33 0.00 0.00 177.00 178.61 1zg2 h TYR 90 N 11.23 0.87 -0.20 6.54 0.05 -1.99 -3.39 116.97 130.07 1zg2 h TYR 90 Ca -0.28 -0.12 -0.13 0.00 0.05 0.00 0.00 58.73 58.24 1zg2 h TYR 90 Cb 1.12 -0.24 -0.14 0.00 1.01 0.00 0.00 36.73 38.48 1zg2 h TYR 90 CO 0.98 0.79 -0.31 -1.91 -1.05 0.00 0.00 178.16 176.66 1zg2 n GLU 91 N -4.21 0.46 0.00 4.88 2.13 -1.26 -4.97 120.64 117.66 1zg2 n GLU 91 Ca 0.03 -1.36 0.00 0.00 0.66 0.00 0.00 57.16 56.49 1zg2 n GLU 91 Cb 0.30 -0.90 0.00 0.00 0.27 0.00 0.00 31.44 31.11 1zg2 n GLU 91 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1zg2 n ASN 92 N 1.97 0.00 0.00 4.31 3.02 -1.26 -4.72 115.26 118.58 1zg2 n ASN 92 Ca 0.09 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.64 1zg2 n ASN 92 Cb 0.64 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.81 1zg2 n ASN 92 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1zg2 n THR 93 N 0.00 0.00 -0.56 3.41 -2.24 -1.26 -4.65 114.28 108.97 1zg2 n THR 93 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1zg2 n THR 93 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1zg2 n THR 93 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1zg2 n THR 94 N -1.76 -2.47 -1.85 4.28 -1.04 -1.26 -5.03 114.28 105.15 1zg2 n THR 94 Ca 0.00 0.82 -0.00 0.00 -2.04 0.00 0.00 64.05 62.82 1zg2 n THR 94 Cb 0.00 -1.50 0.00 0.00 -1.82 0.00 0.00 70.33 67.01 1zg2 n THR 94 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 1zg2 n LYS 95 N -0.50 -0.94 -0.22 -2.82 4.81 -1.26 -4.93 118.16 112.29 1zg2 n LYS 95 Ca 0.00 1.12 0.06 0.00 -0.87 0.00 0.00 58.31 58.62 1zg2 n LYS 95 Cb 0.00 -2.34 0.18 0.00 0.02 0.00 0.00 35.03 32.89 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 0.07 2.24 -0.28 3.14 7.99 -1.26 -5.05 117.00 123.85 1zg2 n LEU 96 Ca 0.01 -1.12 0.04 0.00 -0.01 0.00 0.00 56.01 54.92 1zg2 n LEU 96 Cb 0.03 -0.29 -0.01 0.00 -0.11 0.00 0.00 43.42 43.03 1zg2 n LEU 96 CO 0.13 0.53 -0.10 -1.20 -1.51 0.00 0.00 177.39 175.24 1zg2 n SER 97 N 0.64 -1.64 -4.09 -1.43 7.64 -1.26 -4.97 113.62 108.51 1zg2 n SER 97 Ca 0.13 0.22 -0.29 0.00 1.01 0.00 0.00 58.87 59.95 1zg2 n SER 97 Cb 0.37 -0.92 0.19 0.00 -1.01 0.00 0.00 64.21 62.84 1zg2 n SER 97 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1zg2 s THR 98 N -2.53 2.01 -2.77 0.44 -4.23 -1.26 -5.19 115.64 102.11 1zg2 s THR 98 Ca 0.00 -0.06 0.26 0.00 -1.18 0.00 0.00 61.69 60.71 1zg2 s THR 98 Cb 0.00 -2.95 0.36 0.00 1.34 0.00 0.00 72.50 71.25 1zg2 s THR 98 CO 0.00 0.00 1.49 1.07 -0.54 0.00 0.00 174.62 176.64