#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zs8 s GLN 2 N 0.00 3.20 -0.05 0.38 -0.21 -1.26 -4.89 119.66 116.82 1zs8 s GLN 2 Ca 0.00 1.56 -0.02 0.00 0.02 0.00 0.00 55.36 56.92 1zs8 s GLN 2 Cb 0.00 -1.99 0.03 0.00 1.00 0.00 0.00 33.01 32.06 1zs8 s GLN 2 CO 0.00 -0.96 0.07 1.03 -2.12 0.00 0.00 175.29 173.31 1zs8 s ARG 3 N -3.49 -0.06 0.38 2.91 0.52 0.16 -4.94 118.95 114.43 1zs8 s ARG 3 Ca 0.71 0.38 -0.27 0.00 -0.52 0.00 0.00 55.73 56.03 1zs8 s ARG 3 Cb -0.23 -0.55 -0.09 0.00 0.52 0.00 0.00 34.95 34.60 1zs8 s ARG 3 CO 0.31 -0.34 1.24 -0.08 0.02 0.00 0.00 175.30 176.44 1zs8 s THR 4 N 2.18 2.90 0.58 0.02 -1.32 -1.26 -0.92 115.64 117.82 1zs8 s THR 4 Ca 0.05 0.82 -0.19 0.00 -1.21 0.00 0.00 61.69 61.16 1zs8 s THR 4 Cb -0.12 -3.49 -0.04 0.00 -1.51 0.00 0.00 72.50 67.34 1zs8 s THR 4 CO -0.04 0.13 1.17 -2.16 -2.21 0.00 0.00 174.62 171.51 1zs8 s PRO 5 N -2.08 3.11 -0.18 7.08 0.04 -1.26 -4.46 135.00 137.24 1zs8 s PRO 5 Ca 0.54 1.71 -0.08 0.00 0.04 0.00 0.00 61.00 63.20 1zs8 s PRO 5 Cb -0.35 -1.96 -0.04 0.00 0.04 0.00 0.00 34.50 32.18 1zs8 s PRO 5 CO 0.45 -1.07 0.08 0.15 0.04 0.00 0.00 177.00 176.66 1zs8 s LYS 6 N -3.37 4.02 -0.12 4.56 1.02 0.92 -4.89 119.74 121.88 1zs8 s LYS 6 Ca 0.75 -0.31 0.01 0.00 0.02 0.00 0.00 55.97 56.45 1zs8 s LYS 6 Cb -0.27 -3.27 -0.01 0.00 -0.52 0.00 0.00 37.83 33.77 1zs8 s LYS 6 CO 0.31 0.29 -0.17 0.42 -0.92 0.00 0.00 175.35 175.28 1zs8 s ILE 7 N 0.33 2.66 -0.08 2.17 1.01 -1.26 -1.89 121.20 124.13 1zs8 s ILE 7 Ca 0.05 -0.80 0.02 0.00 0.00 0.00 0.00 60.65 59.92 1zs8 s ILE 7 Cb -0.12 -2.08 0.01 0.00 0.01 0.00 0.00 42.46 40.28 1zs8 s ILE 7 CO -0.00 0.54 -0.15 -1.10 0.00 0.00 0.00 174.94 174.22 1zs8 s GLN 8 N 0.35 2.08 -0.18 2.79 -0.21 -0.60 -4.98 119.66 118.91 1zs8 s GLN 8 Ca -0.14 -0.53 -0.01 0.00 0.02 0.00 0.00 55.36 54.70 1zs8 s GLN 8 Cb -0.17 -1.70 0.00 0.00 1.00 0.00 0.00 33.01 32.15 1zs8 s GLN 8 CO 0.07 0.02 -0.13 0.08 -2.12 0.00 0.00 175.29 173.21 1zs8 s VAL 9 N 0.72 2.72 0.26 1.09 1.01 -1.26 -0.61 120.40 124.33 1zs8 s VAL 9 Ca -0.13 -0.73 -0.21 0.00 0.00 0.00 0.00 61.98 60.91 1zs8 s VAL 9 Cb -0.16 -2.18 0.03 0.00 0.00 0.00 0.00 36.38 34.07 1zs8 s VAL 9 CO 0.03 0.50 0.73 -0.72 0.00 0.00 0.00 175.10 175.63 1zs8 s TYR 10 N 1.12 -0.21 0.02 5.22 -0.85 -0.33 -4.52 117.35 117.81 1zs8 s TYR 10 Ca 0.01 -0.23 -0.02 0.00 -0.52 0.00 0.00 57.07 56.31 1zs8 s TYR 10 Cb -0.14 0.70 -0.04 0.00 0.38 0.00 0.00 41.96 42.85 1zs8 s TYR 10 CO -0.04 -1.19 0.20 -1.54 -1.52 0.00 0.00 175.55 171.45 1zs8 s SER 11 N -2.91 6.37 0.04 -0.18 1.04 -1.26 0.33 113.70 117.13 1zs8 s SER 11 Ca 0.10 0.32 -0.20 0.00 0.48 0.00 0.00 55.95 56.66 1zs8 s SER 11 Cb -0.05 -1.99 -0.10 0.00 0.10 0.00 0.00 66.02 63.97 1zs8 s SER 11 CO 0.05 0.22 1.30 -0.09 0.98 0.00 0.00 173.24 175.71 1zs8 h ARG 12 N 3.52 -0.63 -6.23 4.02 2.43 -1.49 -3.43 114.38 112.57 1zs8 h ARG 12 Ca -0.47 0.04 -0.46 0.00 -0.81 0.00 0.00 59.98 58.28 1zs8 h ARG 12 Cb 1.18 0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 30.86 1zs8 h ARG 12 CO 0.72 -0.42 -0.41 -1.01 -1.51 0.00 0.00 179.97 177.35 1zs8 s HIS 13 N -4.58 3.30 0.33 2.20 3.76 -1.26 -5.06 115.29 113.99 1zs8 s HIS 13 Ca -0.10 -0.10 -0.28 0.00 -0.15 0.00 0.00 55.06 54.42 1zs8 s HIS 13 Cb 0.02 -1.71 -0.12 0.00 1.11 0.00 0.00 32.58 31.87 1zs8 s HIS 13 CO 0.32 0.28 1.32 -2.30 -0.85 0.00 0.00 174.74 173.52 1zs8 n PRO 14 N -1.47 2.15 -1.54 8.40 -0.02 -1.26 -4.82 135.00 136.42 1zs8 n PRO 14 Ca -0.06 0.75 -0.37 0.00 -2.02 0.00 0.00 63.50 61.81 1zs8 n PRO 14 Cb 0.57 -2.35 -0.04 0.00 -0.02 0.00 0.00 33.50 31.66 1zs8 n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1zs8 n ALA 15 N 0.58 0.73 -3.66 3.55 0.00 -1.26 -4.91 120.51 115.54 1zs8 n ALA 15 Ca 0.06 -0.87 -0.39 0.00 0.00 0.00 0.00 53.44 52.24 1zs8 n ALA 15 Cb 0.36 -3.11 -0.10 0.00 0.00 0.00 0.00 19.45 16.59 1zs8 n ALA 15 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1zs8 s GLU 16 N 8.37 2.26 0.12 0.00 2.02 -1.26 -5.06 118.70 125.14 1zs8 s GLU 16 Ca 1.02 -1.82 -0.23 0.00 0.02 0.00 0.00 54.97 53.97 1zs8 s GLU 16 Cb -0.29 -3.76 -0.13 0.00 0.10 0.00 0.00 34.13 30.05 1zs8 s GLU 16 CO 0.29 -1.14 0.47 0.09 0.02 0.00 0.00 175.26 174.99 1zs8 n ASN 17 N 4.71 -0.75 0.00 -0.19 3.02 -1.26 0.71 115.26 121.50 1zs8 n ASN 17 Ca -0.05 0.85 0.00 0.00 -0.03 0.00 0.00 54.58 55.35 1zs8 n ASN 17 Cb 0.41 -0.70 0.00 0.00 -0.61 0.00 0.00 39.78 38.88 1zs8 n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1zs8 n GLY 18 N 1.42 0.42 3.77 7.41 0.00 0.30 -4.91 105.19 113.59 1zs8 n GLY 18 Ca 0.14 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.78 1zs8 n GLY 18 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1zs8 s LYS 19 N -0.15 4.18 1.11 1.61 0.00 0.22 -4.93 119.74 121.78 1zs8 s LYS 19 Ca 0.00 0.39 -0.17 0.00 0.00 0.00 0.00 55.97 56.18 1zs8 s LYS 19 Cb 0.00 -3.35 0.16 0.00 0.00 0.00 0.00 37.83 34.64 1zs8 s LYS 19 CO 0.00 0.37 0.21 0.45 0.00 0.00 0.00 175.35 176.38 1zs8 n SER 20 N 2.96 -2.79 0.00 0.03 2.88 -1.26 -4.06 113.62 111.37 1zs8 n SER 20 Ca -0.10 -0.31 0.00 0.00 -1.33 0.00 0.00 58.87 57.13 1zs8 n SER 20 Cb 0.52 -0.88 0.00 0.00 -0.75 0.00 0.00 64.21 63.09 1zs8 n SER 20 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1zs8 n ASN 21 N -1.95 0.00 -3.74 -3.46 2.85 -0.51 -4.84 115.26 103.60 1zs8 n ASN 21 Ca 0.04 0.00 -0.13 0.00 -0.11 0.00 0.00 54.58 54.38 1zs8 n ASN 21 Cb 0.52 0.00 -0.13 0.00 1.24 0.00 0.00 39.78 41.40 1zs8 n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 1zs8 s PHE 22 N -3.00 -0.25 -0.23 1.20 0.40 -1.26 -1.76 117.98 113.07 1zs8 s PHE 22 Ca 0.00 0.64 -0.07 0.00 -0.60 0.00 0.00 56.93 56.90 1zs8 s PHE 22 Cb 0.00 -0.00 -0.03 0.00 0.51 0.00 0.00 43.02 43.50 1zs8 s PHE 22 CO 0.00 -0.19 0.07 -1.17 0.70 0.00 0.00 175.22 174.63 1zs8 s LEU 23 N 1.11 3.56 -0.06 -0.37 2.96 0.75 -1.08 118.68 125.55 1zs8 s LEU 23 Ca -0.08 -0.12 0.01 0.00 -0.22 0.00 0.00 54.13 53.71 1zs8 s LEU 23 Cb -0.10 -1.94 -0.03 0.00 0.50 0.00 0.00 46.19 44.62 1zs8 s LEU 23 CO -0.07 0.02 -0.05 0.20 -1.32 0.00 0.00 176.35 175.14 1zs8 s ASN 24 N 1.28 4.80 -0.22 3.68 0.01 0.15 -2.37 114.94 122.27 1zs8 s ASN 24 Ca 0.05 0.01 0.01 0.00 -0.71 0.00 0.00 52.86 52.21 1zs8 s ASN 24 Cb -0.15 -1.24 0.06 0.00 0.41 0.00 0.00 41.25 40.33 1zs8 s ASN 24 CO 0.04 0.35 -0.06 0.00 -1.51 0.00 0.00 177.10 175.92 1zs8 s TYR 26 N 1.42 3.16 -0.09 0.00 5.04 0.22 -0.93 117.35 126.17 1zs8 s TYR 26 Ca -0.04 -0.54 0.01 0.00 -2.44 0.00 0.00 57.07 54.06 1zs8 s TYR 26 Cb -0.18 -2.33 -0.02 0.00 0.35 0.00 0.00 41.96 39.78 1zs8 s TYR 26 CO -0.07 -0.43 -0.12 0.14 -1.34 0.00 0.00 175.55 173.73 1zs8 s VAL 27 N 1.61 3.19 0.22 3.14 -7.23 -0.49 -1.56 120.40 119.28 1zs8 s VAL 27 Ca 0.05 -0.64 -0.18 0.00 -1.81 0.00 0.00 61.98 59.40 1zs8 s VAL 27 Cb -0.17 -2.31 0.02 0.00 0.56 0.00 0.00 36.38 34.49 1zs8 s VAL 27 CO 0.06 0.56 0.56 -0.94 -0.31 0.00 0.00 175.10 175.03 1zs8 s SER 28 N -0.19 -0.26 -0.95 4.85 1.04 -0.79 -0.26 113.70 117.14 1zs8 s SER 28 Ca 0.01 -0.53 0.00 0.00 0.48 0.00 0.00 55.95 55.91 1zs8 s SER 28 Cb -0.13 0.61 0.00 0.00 0.10 0.00 0.00 66.02 66.60 1zs8 s SER 28 CO 0.03 -1.12 0.00 0.61 0.98 0.00 0.00 173.24 173.74 1zs8 n GLY 29 N -0.37 0.90 3.82 7.32 0.00 -0.07 -0.05 105.19 116.74 1zs8 n GLY 29 Ca -0.08 -0.60 -0.23 0.00 0.00 0.00 0.00 46.02 45.12 1zs8 n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1zs8 s PHE 30 N -2.36 3.12 -0.28 1.61 -0.71 -1.11 -4.53 117.98 113.71 1zs8 s PHE 30 Ca 0.00 -0.09 -0.17 0.00 -1.04 0.00 0.00 56.93 55.63 1zs8 s PHE 30 Cb 0.00 -1.42 0.11 0.00 -1.21 0.00 0.00 43.02 40.50 1zs8 s PHE 30 CO 0.00 0.52 0.85 -1.58 -1.34 0.00 0.00 175.22 173.67 1zs8 s HIS 31 N -2.06 -0.78 1.11 3.49 2.46 -0.10 -0.39 115.29 119.02 1zs8 s HIS 31 Ca 0.32 1.58 -0.18 0.00 0.47 0.00 0.00 55.06 57.26 1zs8 s HIS 31 Cb -0.08 0.46 0.26 0.00 -0.13 0.00 0.00 32.58 33.09 1zs8 s HIS 31 CO 0.25 -0.38 1.22 -1.25 -2.47 0.00 0.00 174.74 172.10 1zs8 s PRO 32 N 1.33 -0.50 0.00 2.88 0.04 -1.26 0.40 135.00 137.89 1zs8 s PRO 32 Ca -0.08 -0.29 0.18 0.00 0.04 0.00 0.00 61.00 60.85 1zs8 s PRO 32 Cb -0.04 -1.70 0.83 0.00 0.04 0.00 0.00 34.50 33.62 1zs8 s PRO 32 CO -0.16 -3.20 1.56 -1.13 0.04 0.00 0.00 177.00 174.12 1zs8 n SER 33 N -4.35 0.00 -4.55 6.66 3.41 -1.26 -4.65 113.62 108.87 1zs8 n SER 33 Ca 0.15 0.31 -0.32 0.00 -0.26 0.00 0.00 58.87 58.75 1zs8 n SER 33 Cb 0.59 -0.41 -0.04 0.00 -0.26 0.00 0.00 64.21 64.09 1zs8 n SER 33 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1zs8 s ASP 34 N -2.83 4.99 0.04 4.04 2.15 -1.26 -4.90 116.67 118.90 1zs8 s ASP 34 Ca 0.12 0.06 0.03 0.00 0.43 0.00 0.00 52.55 53.19 1zs8 s ASP 34 Cb 0.12 -2.54 -0.02 0.00 -0.30 0.00 0.00 42.92 40.18 1zs8 s ASP 34 CO 0.31 -2.71 -0.09 -0.51 -0.17 0.00 0.00 175.17 172.00 1zs8 s ILE 35 N 10.35 0.70 -0.15 4.11 2.07 -1.26 -4.14 121.20 132.87 1zs8 s ILE 35 Ca 0.74 -0.92 0.01 0.00 -1.41 0.00 0.00 60.65 59.07 1zs8 s ILE 35 Cb -0.11 -0.69 0.00 0.00 0.13 0.00 0.00 42.46 41.79 1zs8 s ILE 35 CO 0.13 -0.18 -0.17 -1.83 -1.91 0.00 0.00 174.94 170.98 1zs8 s GLU 36 N -1.22 3.17 -0.09 3.50 4.04 0.12 -4.99 118.70 123.23 1zs8 s GLU 36 Ca -0.04 -0.77 0.00 0.00 0.04 0.00 0.00 54.97 54.20 1zs8 s GLU 36 Cb -0.08 -2.59 0.02 0.00 0.02 0.00 0.00 34.13 31.50 1zs8 s GLU 36 CO 0.01 -0.00 -0.08 0.08 -1.84 0.00 0.00 175.26 173.42 1zs8 s VAL 37 N 0.85 0.96 0.03 1.83 1.01 -1.26 -0.74 120.40 123.08 1zs8 s VAL 37 Ca -0.05 -0.30 0.07 0.00 0.00 0.00 0.00 61.98 61.71 1zs8 s VAL 37 Cb -0.15 -0.96 -0.02 0.00 0.00 0.00 0.00 36.38 35.25 1zs8 s VAL 37 CO -0.01 0.34 -0.22 -1.81 0.00 0.00 0.00 175.10 173.40 1zs8 s ASP 38 N 1.34 2.62 -0.21 3.32 1.01 0.15 -4.96 116.67 119.94 1zs8 s ASP 38 Ca -0.02 -0.50 -0.05 0.00 0.71 0.00 0.00 52.55 52.69 1zs8 s ASP 38 Cb -0.14 -0.24 -0.02 0.00 1.01 0.00 0.00 42.92 43.53 1zs8 s ASP 38 CO -0.04 0.21 0.00 -0.76 0.21 0.00 0.00 175.17 174.80 1zs8 s LEU 39 N -0.99 3.22 -0.07 1.23 1.43 -1.26 0.61 118.68 122.85 1zs8 s LEU 39 Ca 0.09 -0.24 0.03 0.00 -1.03 0.00 0.00 54.13 52.98 1zs8 s LEU 39 Cb -0.09 -1.82 -0.02 0.00 0.03 0.00 0.00 46.19 44.29 1zs8 s LEU 39 CO 0.01 0.03 -0.15 -0.76 0.23 0.00 0.00 176.35 175.71 1zs8 s LEU 40 N 1.18 2.66 -0.31 1.79 1.43 0.13 -0.25 118.68 125.31 1zs8 s LEU 40 Ca 0.03 -0.26 -0.05 0.00 -1.03 0.00 0.00 54.13 52.82 1zs8 s LEU 40 Cb -0.14 -1.55 0.03 0.00 0.03 0.00 0.00 46.19 44.56 1zs8 s LEU 40 CO 0.01 0.29 0.05 -0.75 0.23 0.00 0.00 176.35 176.18 1zs8 s LYS 41 N -0.39 2.70 0.00 1.70 2.20 -0.95 -1.62 119.74 123.37 1zs8 s LYS 41 Ca 0.04 -1.11 0.00 0.00 -0.36 0.00 0.00 55.97 54.54 1zs8 s LYS 41 Cb -0.12 -3.31 0.00 0.00 -1.51 0.00 0.00 37.83 32.89 1zs8 s LYS 41 CO 0.02 -0.57 0.00 0.09 -0.36 0.00 0.00 175.35 174.53 1zs8 n ASN 42 N 4.76 -4.46 0.00 1.43 3.02 0.15 -1.88 115.26 118.28 1zs8 n ASN 42 Ca -0.14 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.41 1zs8 n ASN 42 Cb 0.45 -2.93 0.00 0.00 -0.61 0.00 0.00 39.78 36.69 1zs8 n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1zs8 n GLY 43 N 0.55 2.24 3.67 7.41 0.00 -1.26 -5.01 105.19 112.79 1zs8 n GLY 43 Ca 0.00 -0.61 -0.43 0.00 0.00 0.00 0.00 46.02 44.99 1zs8 n GLY 43 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1zs8 s GLU 44 N 0.00 4.28 -0.21 1.61 1.03 -0.79 -4.91 118.70 119.71 1zs8 s GLU 44 Ca 0.00 1.63 -0.35 0.00 0.03 0.00 0.00 54.97 56.28 1zs8 s GLU 44 Cb 0.00 -3.68 -0.12 0.00 -0.80 0.00 0.00 34.13 29.53 1zs8 s GLU 44 CO 0.00 -0.61 1.97 -2.13 -1.33 0.00 0.00 175.26 173.16 1zs8 n ARG 45 N 6.10 1.67 -1.98 -4.83 0.63 -1.26 -2.23 116.66 114.75 1zs8 n ARG 45 Ca 0.13 0.57 -0.41 0.00 -0.92 0.00 0.00 57.85 57.22 1zs8 n ARG 45 Cb 0.45 -2.54 -0.01 0.00 0.45 0.00 0.00 32.46 30.81 1zs8 n ARG 45 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 1zs8 s ILE 46 N 5.23 2.42 0.00 5.15 1.01 0.66 -4.95 121.20 130.73 1zs8 s ILE 46 Ca 0.99 0.42 0.00 0.00 0.00 0.00 0.00 60.65 62.07 1zs8 s ILE 46 Cb -0.78 -3.27 0.00 0.00 0.01 0.00 0.00 42.46 38.42 1zs8 s ILE 46 CO 0.52 0.10 0.00 -1.84 0.00 0.00 0.00 174.94 173.72 1zs8 n GLU 47 N 0.61 0.00 -1.53 2.79 -0.00 -1.26 -4.65 120.64 116.60 1zs8 n GLU 47 Ca 0.01 0.00 -0.39 0.00 -0.00 0.00 0.00 57.16 56.78 1zs8 n GLU 47 Cb 0.41 0.00 -0.07 0.00 -0.00 0.00 0.00 31.44 31.78 1zs8 n GLU 47 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.13 177.49 1zs8 n LYS 48 N 0.00 0.75 -3.96 3.44 2.85 -1.26 -4.93 118.16 115.05 1zs8 n LYS 48 Ca 0.00 0.03 -0.29 0.00 -1.05 0.00 0.00 58.31 56.99 1zs8 n LYS 48 Cb 0.00 -2.79 -0.16 0.00 -0.65 0.00 0.00 35.03 31.42 1zs8 n LYS 48 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 1zs8 s VAL 49 N 10.86 1.42 0.61 0.58 1.01 -1.26 -4.83 120.40 128.79 1zs8 s VAL 49 Ca 1.10 -0.76 -0.05 0.00 0.00 0.00 0.00 61.98 62.27 1zs8 s VAL 49 Cb -0.55 -1.48 0.02 0.00 0.00 0.00 0.00 36.38 34.37 1zs8 s VAL 49 CO 0.35 0.23 0.92 -1.61 0.00 0.00 0.00 175.10 174.98 1zs8 s GLU 50 N 1.51 2.70 -0.03 2.72 2.02 -0.59 -4.86 118.70 122.18 1zs8 s GLU 50 Ca 0.01 -0.14 -0.22 0.00 0.02 0.00 0.00 54.97 54.64 1zs8 s GLU 50 Cb -0.15 -2.27 0.04 0.00 0.10 0.00 0.00 34.13 31.86 1zs8 s GLU 50 CO -0.09 -0.83 0.47 -3.38 0.02 0.00 0.00 175.26 171.46 1zs8 s HIS 51 N -3.03 -0.40 0.94 1.61 -3.43 -1.26 -0.43 115.29 109.30 1zs8 s HIS 51 Ca 0.56 0.67 -0.12 0.00 -0.80 0.00 0.00 55.06 55.37 1zs8 s HIS 51 Cb -0.11 0.23 0.15 0.00 -1.43 0.00 0.00 32.58 31.43 1zs8 s HIS 51 CO 0.44 -0.48 1.09 -1.54 -2.00 0.00 0.00 174.74 172.25 1zs8 s SER 52 N -1.22 3.06 0.42 7.38 1.04 0.86 -4.95 113.70 120.29 1zs8 s SER 52 Ca -0.12 1.52 -0.23 0.00 0.48 0.00 0.00 55.95 57.59 1zs8 s SER 52 Cb -0.03 -2.19 -0.08 0.00 0.10 0.00 0.00 66.02 63.82 1zs8 s SER 52 CO 0.07 -2.90 1.09 -1.81 0.98 0.00 0.00 173.24 170.67 1zs8 s ASP 53 N -3.26 6.53 0.22 7.02 1.11 -1.26 -4.66 116.67 122.37 1zs8 s ASP 53 Ca 0.64 2.14 -0.30 0.00 0.18 0.00 0.00 52.55 55.21 1zs8 s ASP 53 Cb -0.19 -2.59 -0.09 0.00 1.07 0.00 0.00 42.92 41.11 1zs8 s ASP 53 CO 0.58 -0.66 1.37 -0.22 1.18 0.00 0.00 175.17 177.42 1zs8 s LEU 54 N -2.80 4.40 0.18 1.23 2.96 -1.26 -4.86 118.68 118.52 1zs8 s LEU 54 Ca 0.60 2.52 -0.11 0.00 -0.22 0.00 0.00 54.13 56.91 1zs8 s LEU 54 Cb -0.24 -3.61 0.00 0.00 0.50 0.00 0.00 46.19 42.83 1zs8 s LEU 54 CO 0.30 -0.61 0.35 -0.55 -1.32 0.00 0.00 176.35 174.53 1zs8 s SER 55 N 0.37 -0.04 0.20 3.68 0.15 -1.24 -5.05 113.70 111.77 1zs8 s SER 55 Ca 0.58 -0.78 0.08 0.00 0.70 0.00 0.00 55.95 56.53 1zs8 s SER 55 Cb -0.39 0.48 -0.05 0.00 -1.71 0.00 0.00 66.02 64.35 1zs8 s SER 55 CO 0.40 -0.95 -0.14 0.72 1.20 0.00 0.00 173.24 174.47 1zs8 s PHE 56 N -3.95 1.70 0.76 3.44 -0.12 -1.26 -2.21 117.98 116.34 1zs8 s PHE 56 Ca 0.15 -0.58 -0.02 0.00 -0.05 0.00 0.00 56.93 56.44 1zs8 s PHE 56 Cb 0.02 -0.79 0.15 0.00 -0.63 0.00 0.00 43.02 41.76 1zs8 s PHE 56 CO -0.00 0.35 1.04 -1.12 -0.05 0.00 0.00 175.22 175.44 1zs8 s SER 57 N -3.31 4.14 0.26 1.98 0.01 0.75 -4.92 113.70 112.60 1zs8 s SER 57 Ca 0.22 -0.41 -0.02 0.00 1.31 0.00 0.00 55.95 57.06 1zs8 s SER 57 Cb -0.01 0.13 0.49 0.00 0.21 0.00 0.00 66.02 66.84 1zs8 s SER 57 CO 0.07 -2.02 1.79 0.50 0.41 0.00 0.00 173.24 173.99 1zs8 h LYS 58 N -0.67 0.71 -0.75 12.44 1.63 -2.02 0.96 116.57 128.88 1zs8 h LYS 58 Ca -0.36 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.40 1zs8 h LYS 58 Cb 1.26 -0.16 0.00 0.00 -0.60 0.00 0.00 32.23 32.73 1zs8 h LYS 58 CO 0.38 0.47 0.00 -0.40 -3.45 0.00 0.00 179.45 176.44 1zs8 n ASP 59 N -4.79 0.75 0.00 4.20 5.75 -1.26 -4.83 116.55 116.37 1zs8 n ASP 59 Ca 0.16 -1.97 0.00 0.00 -0.01 0.00 0.00 54.79 52.97 1zs8 n ASP 59 Cb 0.37 -0.37 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 1zs8 n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1zs8 n TRP 60 N -0.11 0.00 -2.23 2.11 7.02 0.33 -4.99 117.44 119.57 1zs8 n TRP 60 Ca 0.00 0.00 -0.33 0.00 -1.02 0.00 0.00 57.50 56.15 1zs8 n TRP 60 Cb 0.19 -0.88 -0.00 0.00 -2.42 0.00 0.00 31.31 28.19 1zs8 n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1zs8 s SER 61 N -2.41 5.93 0.37 -0.99 1.04 -1.26 -4.64 113.70 111.75 1zs8 s SER 61 Ca 0.00 1.91 0.01 0.00 0.48 0.00 0.00 55.95 58.36 1zs8 s SER 61 Cb 0.00 -2.55 -0.02 0.00 0.10 0.00 0.00 66.02 63.55 1zs8 s SER 61 CO 0.00 -1.07 0.57 -0.36 0.98 0.00 0.00 173.24 173.36 1zs8 s PHE 62 N -2.19 3.37 -0.02 5.02 0.08 0.47 -0.18 117.98 124.54 1zs8 s PHE 62 Ca 0.66 0.24 -0.16 0.00 0.12 0.00 0.00 56.93 57.78 1zs8 s PHE 62 Cb -0.17 -2.02 0.03 0.00 -0.57 0.00 0.00 43.02 40.28 1zs8 s PHE 62 CO 0.30 -0.03 0.35 1.52 -0.10 0.00 0.00 175.22 177.26 1zs8 s TYR 63 N -2.36 -0.23 0.08 0.36 -0.85 -0.94 -0.89 117.35 112.52 1zs8 s TYR 63 Ca 0.43 0.34 -0.12 0.00 -0.52 0.00 0.00 57.07 57.20 1zs8 s TYR 63 Cb -0.10 0.13 0.02 0.00 0.38 0.00 0.00 41.96 42.39 1zs8 s TYR 63 CO 0.36 -0.42 0.29 -0.51 -1.52 0.00 0.00 175.55 173.75 1zs8 s LEU 64 N -1.34 0.96 -0.12 -3.49 1.43 0.64 -3.66 118.68 113.10 1zs8 s LEU 64 Ca -0.13 -0.38 0.00 0.00 -1.03 0.00 0.00 54.13 52.60 1zs8 s LEU 64 Cb -0.05 1.35 0.02 0.00 0.03 0.00 0.00 46.19 47.55 1zs8 s LEU 64 CO 0.05 -0.71 -0.12 -0.22 0.23 0.00 0.00 176.35 175.58 1zs8 s LEU 65 N -2.50 1.51 -0.02 1.79 2.96 -1.26 -1.40 118.68 119.76 1zs8 s LEU 65 Ca 0.00 -0.40 0.00 0.00 -0.22 0.00 0.00 54.13 53.51 1zs8 s LEU 65 Cb 0.02 -1.02 -0.04 0.00 0.50 0.00 0.00 46.19 45.65 1zs8 s LEU 65 CO -0.08 -0.06 0.03 -0.31 -1.32 0.00 0.00 176.35 174.61 1zs8 s TYR 66 N 1.42 3.18 0.16 5.38 1.51 -0.11 -0.10 117.35 128.79 1zs8 s TYR 66 Ca 0.02 0.16 -0.24 0.00 -1.01 0.00 0.00 57.07 55.99 1zs8 s TYR 66 Cb -0.13 -1.72 0.06 0.00 -0.11 0.00 0.00 41.96 40.06 1zs8 s TYR 66 CO -0.07 0.50 0.74 1.52 -1.11 0.00 0.00 175.55 177.13 1zs8 s TYR 67 N -1.09 -0.35 0.17 2.71 1.13 0.43 -0.50 117.35 119.86 1zs8 s TYR 67 Ca 0.19 0.07 -0.16 0.00 -1.41 0.00 0.00 57.07 55.76 1zs8 s TYR 67 Cb -0.12 0.61 0.03 0.00 -1.10 0.00 0.00 41.96 41.38 1zs8 s TYR 67 CO 0.10 -0.89 0.46 0.95 -2.51 0.00 0.00 175.55 173.66 1zs8 s THR 68 N -3.60 0.04 0.44 -3.49 -4.23 -1.00 -1.54 115.64 102.27 1zs8 s THR 68 Ca 0.06 -0.73 -0.15 0.00 -1.18 0.00 0.00 61.69 59.69 1zs8 s THR 68 Cb -0.02 -1.43 -0.08 0.00 1.34 0.00 0.00 72.50 72.30 1zs8 s THR 68 CO -0.05 -0.20 0.89 -1.61 -0.54 0.00 0.00 174.62 173.11 1zs8 s GLU 69 N -3.85 3.96 -0.29 3.99 2.02 -1.26 -0.18 118.70 123.09 1zs8 s GLU 69 Ca 0.07 0.81 -0.24 0.00 0.02 0.00 0.00 54.97 55.64 1zs8 s GLU 69 Cb 0.00 -2.25 0.16 0.00 0.10 0.00 0.00 34.13 32.14 1zs8 s GLU 69 CO -0.06 -0.11 1.22 -0.59 0.02 0.00 0.00 175.26 175.74 1zs8 s PHE 70 N -2.39 -0.28 -0.45 1.61 -0.71 -0.72 -4.80 117.98 110.24 1zs8 s PHE 70 Ca 0.57 0.67 -0.10 0.00 -1.04 0.00 0.00 56.93 57.02 1zs8 s PHE 70 Cb -0.10 0.40 0.09 0.00 -1.21 0.00 0.00 43.02 42.20 1zs8 s PHE 70 CO 0.26 -0.14 0.31 0.95 -1.34 0.00 0.00 175.22 175.27 1zs8 s THR 71 N 0.25 4.38 0.98 -4.49 -4.23 -1.26 -1.43 115.64 109.83 1zs8 s THR 71 Ca 0.04 -1.49 -0.11 0.00 -1.18 0.00 0.00 61.69 58.95 1zs8 s THR 71 Cb -0.05 -3.74 0.18 0.00 1.34 0.00 0.00 72.50 70.23 1zs8 s THR 71 CO -0.11 -0.62 1.10 -2.16 -0.54 0.00 0.00 174.62 172.29 1zs8 s PRO 72 N 1.44 0.54 0.07 3.99 0.04 -1.26 -4.70 135.00 135.12 1zs8 s PRO 72 Ca 0.04 1.24 -0.03 0.00 0.04 0.00 0.00 61.00 62.28 1zs8 s PRO 72 Cb -0.24 -1.70 -0.03 0.00 0.04 0.00 0.00 34.50 32.57 1zs8 s PRO 72 CO 0.02 -2.85 0.05 0.95 0.04 0.00 0.00 177.00 175.20 1zs8 s THR 73 N -2.64 0.19 0.16 1.26 -4.23 -1.26 -0.54 115.64 108.58 1zs8 s THR 73 Ca 0.66 -1.62 0.35 0.00 -1.18 0.00 0.00 61.69 59.90 1zs8 s THR 73 Cb -0.23 -1.51 0.40 0.00 1.34 0.00 0.00 72.50 72.50 1zs8 s THR 73 CO 0.60 -0.84 2.02 1.05 -0.54 0.00 0.00 174.62 176.91 1zs8 h GLU 74 N 3.00 0.00 0.00 3.99 9.09 -1.98 -3.24 114.58 125.43 1zs8 h GLU 74 Ca -0.34 0.00 -0.07 0.00 0.05 0.00 0.00 59.36 59.00 1zs8 h GLU 74 Cb 1.16 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.25 1zs8 h GLU 74 CO 0.62 0.00 -0.53 1.57 0.05 0.00 0.00 179.01 180.72 1zs8 h LYS 75 N 0.00 0.00 -6.46 1.06 -0.00 -2.02 -3.47 116.57 105.69 1zs8 h LYS 75 Ca -0.00 0.00 -0.60 0.00 -0.00 0.00 0.00 60.65 60.05 1zs8 h LYS 75 Cb 0.46 0.00 0.06 0.00 -0.00 0.00 0.00 32.23 32.75 1zs8 h LYS 75 CO 0.00 0.49 0.72 -0.25 -0.00 0.00 0.00 179.45 180.41 1zs8 n ASP 76 N -4.59 2.78 -4.21 7.07 8.00 -1.23 -4.99 116.55 119.38 1zs8 n ASP 76 Ca -0.14 1.09 -0.34 0.00 0.71 0.00 0.00 54.79 56.12 1zs8 n ASP 76 Cb 0.37 -1.38 -0.15 0.00 -0.02 0.00 0.00 41.12 39.95 1zs8 n ASP 76 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1zs8 s GLU 77 N 0.83 3.16 0.37 -1.24 2.02 -1.26 -4.62 118.70 117.95 1zs8 s GLU 77 Ca 0.80 -0.75 0.08 0.00 0.02 0.00 0.00 54.97 55.12 1zs8 s GLU 77 Cb -0.74 -2.72 -0.03 0.00 0.10 0.00 0.00 34.13 30.74 1zs8 s GLU 77 CO 0.40 -0.15 0.26 0.71 0.02 0.00 0.00 175.26 176.49 1zs8 s TYR 78 N 1.24 2.76 0.04 1.61 1.51 -1.26 0.32 117.35 123.57 1zs8 s TYR 78 Ca 0.03 -0.41 -0.28 0.00 -1.01 0.00 0.00 57.07 55.40 1zs8 s TYR 78 Cb -0.14 -1.87 0.10 0.00 -0.11 0.00 0.00 41.96 39.94 1zs8 s TYR 78 CO -0.07 0.15 1.12 0.00 -1.11 0.00 0.00 175.55 175.64 1zs8 s ALA 79 N -2.42 -1.95 -0.04 3.71 0.00 -0.64 -0.93 121.76 119.48 1zs8 s ALA 79 Ca 0.42 0.54 0.06 0.00 0.00 0.00 0.00 51.96 52.97 1zs8 s ALA 79 Cb -0.03 0.45 -0.02 0.00 0.00 0.00 0.00 23.12 23.52 1zs8 s ALA 79 CO 0.25 -0.99 -0.21 0.00 0.00 0.00 0.00 175.76 174.81 1zs8 s ARG 81 N -0.52 2.81 -0.05 0.00 3.52 0.20 -0.18 118.95 124.73 1zs8 s ARG 81 Ca 0.07 -0.79 0.04 0.00 -0.13 0.00 0.00 55.73 54.92 1zs8 s ARG 81 Cb -0.11 -2.17 -0.00 0.00 -1.56 0.00 0.00 34.95 31.11 1zs8 s ARG 81 CO 0.01 0.12 -0.18 0.08 -0.81 0.00 0.00 175.30 174.52 1zs8 s VAL 82 N 0.48 1.50 -0.06 7.11 1.01 0.20 0.30 120.40 130.93 1zs8 s VAL 82 Ca -0.16 -0.74 0.05 0.00 0.00 0.00 0.00 61.98 61.12 1zs8 s VAL 82 Cb -0.17 -1.30 -0.00 0.00 0.00 0.00 0.00 36.38 34.91 1zs8 s VAL 82 CO 0.06 0.43 -0.21 0.54 0.00 0.00 0.00 175.10 175.93 1zs8 s ASN 83 N 0.12 2.62 0.02 3.32 2.20 0.08 0.06 114.94 123.35 1zs8 s ASN 83 Ca -0.06 -0.45 -0.11 0.00 -0.94 0.00 0.00 52.86 51.30 1zs8 s ASN 83 Cb -0.13 -0.90 0.01 0.00 -2.00 0.00 0.00 41.25 38.23 1zs8 s ASN 83 CO 0.03 0.17 0.23 -2.28 -2.94 0.00 0.00 177.10 172.31 1zs8 s HIS 84 N 0.13 -0.02 0.61 1.54 2.46 -1.26 -0.70 115.29 118.04 1zs8 s HIS 84 Ca -0.09 -0.10 0.27 0.00 0.47 0.00 0.00 55.06 55.61 1zs8 s HIS 84 Cb -0.14 0.01 1.03 0.00 -0.13 0.00 0.00 32.58 33.35 1zs8 s HIS 84 CO 0.05 -0.41 1.43 0.28 -2.47 0.00 0.00 174.74 173.62 1zs8 h VAL 85 N 3.63 0.07 -0.61 0.89 2.07 -1.93 1.00 116.25 121.38 1zs8 h VAL 85 Ca -0.31 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.21 1zs8 h VAL 85 Cb 1.19 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 31.10 1zs8 h VAL 85 CO 0.45 0.00 0.00 0.35 0.02 0.00 0.00 177.57 178.39 1zs8 n THR 86 N -3.32 0.81 -4.57 2.57 -2.24 -1.26 -4.89 114.28 101.39 1zs8 n THR 86 Ca 0.19 -0.88 -0.33 0.00 -2.27 0.00 0.00 64.05 60.76 1zs8 n THR 86 Cb 1.32 0.61 -0.15 0.00 -2.10 0.00 0.00 70.33 70.01 1zs8 n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1zs8 s LEU 87 N -1.14 2.58 0.04 3.22 1.43 0.35 -4.92 118.68 120.23 1zs8 s LEU 87 Ca 0.45 -0.42 -0.25 0.00 -1.03 0.00 0.00 54.13 52.87 1zs8 s LEU 87 Cb 0.24 -1.59 -0.17 0.00 0.03 0.00 0.00 46.19 44.70 1zs8 s LEU 87 CO 0.32 0.10 1.47 0.77 0.23 0.00 0.00 176.35 179.24 1zs8 h SER 88 N 7.17 -0.19 -4.20 2.29 4.64 -1.90 -3.43 113.55 117.93 1zs8 h SER 88 Ca -0.31 -0.16 -0.49 0.00 -0.47 0.00 0.00 61.79 60.36 1zs8 h SER 88 Cb 1.20 0.05 -0.29 0.00 -0.31 0.00 0.00 62.40 63.04 1zs8 h SER 88 CO 0.57 0.06 -0.81 0.00 -0.87 0.00 0.00 176.83 175.77 1zs8 s GLN 89 N -5.27 1.16 0.08 4.77 1.03 -1.26 -5.09 119.66 115.08 1zs8 s GLN 89 Ca -0.15 -0.51 -0.36 0.00 0.04 0.00 0.00 55.36 54.39 1zs8 s GLN 89 Cb 0.04 -1.12 -0.18 0.00 0.03 0.00 0.00 33.01 31.78 1zs8 s GLN 89 CO 0.63 0.30 1.08 -2.30 -2.54 0.00 0.00 175.29 172.46 1zs8 n PRO 90 N 2.74 0.50 -2.98 9.60 -0.02 -1.26 -4.94 135.00 138.64 1zs8 n PRO 90 Ca -0.14 0.18 -0.40 0.00 -2.02 0.00 0.00 63.50 61.12 1zs8 n PRO 90 Cb 0.55 -1.64 -0.05 0.00 -0.02 0.00 0.00 33.50 32.33 1zs8 n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1zs8 s LYS 91 N -0.11 4.53 -0.11 -0.52 2.47 0.11 -4.85 119.74 121.25 1zs8 s LYS 91 Ca 0.82 1.11 0.01 0.00 -1.56 0.00 0.00 55.97 56.35 1zs8 s LYS 91 Cb -1.06 -3.31 0.02 0.00 -1.46 0.00 0.00 37.83 32.01 1zs8 s LYS 91 CO 0.54 0.42 -0.13 0.42 0.16 0.00 0.00 175.35 176.76 1zs8 s ILE 92 N -0.58 1.38 -0.23 5.43 1.01 -1.26 0.58 121.20 127.53 1zs8 s ILE 92 Ca 0.37 -0.55 0.00 0.00 0.00 0.00 0.00 60.65 60.47 1zs8 s ILE 92 Cb -0.22 -1.29 0.03 0.00 0.01 0.00 0.00 42.46 41.00 1zs8 s ILE 92 CO 0.25 0.42 -0.12 -0.69 0.00 0.00 0.00 174.94 174.79 1zs8 s VAL 93 N 1.18 2.42 0.23 2.92 1.01 0.75 -4.96 120.40 123.95 1zs8 s VAL 93 Ca -0.03 -1.15 -0.30 0.00 0.00 0.00 0.00 61.98 60.50 1zs8 s VAL 93 Cb -0.14 -2.21 -0.09 0.00 0.00 0.00 0.00 36.38 33.94 1zs8 s VAL 93 CO -0.04 0.25 1.03 -1.59 0.00 0.00 0.00 175.10 174.76 1zs8 s LYS 94 N 1.26 4.71 -0.27 2.72 0.00 -1.26 -0.52 119.74 126.37 1zs8 s LYS 94 Ca -0.01 1.65 -0.29 0.00 0.00 0.00 0.00 55.97 57.32 1zs8 s LYS 94 Cb -0.16 -3.26 -0.02 0.00 0.00 0.00 0.00 37.83 34.39 1zs8 s LYS 94 CO -0.07 0.28 1.59 -0.46 0.00 0.00 0.00 175.35 176.69 1zs8 s TRP 95 N -0.84 2.15 -0.07 1.78 -0.00 -0.11 -4.93 118.94 116.92 1zs8 s TRP 95 Ca 0.45 0.60 -0.23 0.00 -0.00 0.00 0.00 56.10 56.92 1zs8 s TRP 95 Cb -0.29 -4.03 -0.04 0.00 -0.00 0.00 0.00 33.47 29.11 1zs8 s TRP 95 CO 0.36 -2.71 0.70 0.34 -0.00 0.00 0.00 176.95 175.64 1zs8 s ASP 96 N 4.36 6.99 0.38 5.86 -1.08 -1.26 -4.73 116.67 127.19 1zs8 s ASP 96 Ca 0.70 1.19 0.10 0.00 -0.52 0.00 0.00 52.55 54.03 1zs8 s ASP 96 Cb -0.22 -2.41 0.77 0.00 -1.46 0.00 0.00 42.92 39.59 1zs8 s ASP 96 CO 0.30 -0.12 1.90 0.03 0.52 0.00 0.00 175.17 177.79 1zs8 h ARG 97 N 6.76 0.19 -0.99 4.34 3.08 -1.96 -2.87 114.38 122.93 1zs8 h ARG 97 Ca -0.41 -0.05 -0.40 0.00 0.07 0.00 0.00 59.98 59.19 1zs8 h ARG 97 Cb 1.20 -0.02 -0.24 0.00 0.08 0.00 0.00 29.97 30.98 1zs8 h ARG 97 CO 0.75 0.38 0.51 -0.25 -1.07 0.00 0.00 179.97 180.29 1zs8 n ASP 98 N -4.24 3.65 0.00 7.04 9.92 -1.26 -4.74 116.55 126.92 1zs8 n ASP 98 Ca -0.01 -3.27 0.00 0.00 -0.53 0.00 0.00 54.79 50.98 1zs8 n ASP 98 Cb 0.30 -0.77 0.00 0.00 -0.64 0.00 0.00 41.12 40.01 1zs8 n ASP 98 CO 0.00 0.00 0.00 0.23 0.13 0.00 0.00 177.20 177.56