#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xz0 s GLN 2 N 0.00 2.32 -0.01 6.28 -0.21 -1.26 -4.69 119.66 122.09 1xz0 s GLN 2 Ca 0.00 -0.81 0.05 0.00 0.02 0.00 0.00 55.36 54.61 1xz0 s GLN 2 Cb 0.00 -2.27 -0.01 0.00 1.00 0.00 0.00 33.01 31.73 1xz0 s GLN 2 CO 0.00 0.59 -0.15 1.03 -2.12 0.00 0.00 175.29 174.64 1xz0 s ARG 3 N -0.92 1.22 0.02 2.91 0.52 -0.31 -4.93 118.95 117.46 1xz0 s ARG 3 Ca 0.12 -0.57 -0.10 0.00 -0.52 0.00 0.00 55.73 54.66 1xz0 s ARG 3 Cb -0.10 -1.19 -0.05 0.00 0.52 0.00 0.00 34.95 34.12 1xz0 s ARG 3 CO 0.02 0.32 0.35 -0.08 0.02 0.00 0.00 175.30 175.93 1xz0 s THR 4 N -0.40 5.16 0.56 0.02 -1.32 -1.26 -1.93 115.64 116.47 1xz0 s THR 4 Ca 0.06 0.48 -0.19 0.00 -1.21 0.00 0.00 61.69 60.83 1xz0 s THR 4 Cb -0.06 -3.63 -0.05 0.00 -1.51 0.00 0.00 72.50 67.25 1xz0 s THR 4 CO -0.00 0.42 1.12 -2.16 -2.21 0.00 0.00 174.62 171.79 1xz0 s PRO 5 N -1.56 3.29 -0.14 7.08 0.04 -1.26 -4.52 135.00 137.93 1xz0 s PRO 5 Ca 0.28 1.57 -0.03 0.00 0.04 0.00 0.00 61.00 62.86 1xz0 s PRO 5 Cb -0.14 -2.00 -0.03 0.00 0.04 0.00 0.00 34.50 32.37 1xz0 s PRO 5 CO 0.15 -0.89 -0.04 0.21 0.04 0.00 0.00 177.00 176.46 1xz0 s LYS 6 N -3.41 3.50 -0.18 4.56 2.20 0.24 -4.95 119.74 121.69 1xz0 s LYS 6 Ca 0.72 -0.52 0.01 0.00 -0.36 0.00 0.00 55.97 55.81 1xz0 s LYS 6 Cb -0.23 -2.85 0.04 0.00 -1.51 0.00 0.00 37.83 33.27 1xz0 s LYS 6 CO 0.29 0.33 -0.11 0.42 -0.36 0.00 0.00 175.35 175.92 1xz0 s ILE 7 N 0.12 1.60 -0.11 5.43 1.01 -1.26 -1.97 121.20 126.02 1xz0 s ILE 7 Ca -0.01 -0.89 0.03 0.00 0.00 0.00 0.00 60.65 59.78 1xz0 s ILE 7 Cb -0.14 -1.63 0.01 0.00 0.01 0.00 0.00 42.46 40.71 1xz0 s ILE 7 CO 0.03 0.24 -0.21 -1.10 0.00 0.00 0.00 174.94 173.90 1xz0 s GLN 8 N 1.43 2.78 -0.08 2.79 -0.21 -0.77 -5.01 119.66 120.60 1xz0 s GLN 8 Ca 0.00 -0.78 0.03 0.00 0.02 0.00 0.00 55.36 54.63 1xz0 s GLN 8 Cb -0.15 -2.18 -0.02 0.00 1.00 0.00 0.00 33.01 31.65 1xz0 s GLN 8 CO -0.09 0.08 -0.16 0.08 -2.12 0.00 0.00 175.29 173.08 1xz0 s VAL 9 N 0.60 2.84 0.10 1.09 1.01 -1.26 -1.16 120.40 123.61 1xz0 s VAL 9 Ca -0.13 -0.78 -0.25 0.00 0.00 0.00 0.00 61.98 60.81 1xz0 s VAL 9 Cb -0.17 -2.12 0.07 0.00 0.00 0.00 0.00 36.38 34.16 1xz0 s VAL 9 CO 0.04 0.56 0.64 -0.72 0.00 0.00 0.00 175.10 175.63 1xz0 s TYR 10 N -0.25 -0.55 0.18 5.22 1.13 -1.08 -4.96 117.35 117.04 1xz0 s TYR 10 Ca 0.01 0.52 0.04 0.00 -1.41 0.00 0.00 57.07 56.23 1xz0 s TYR 10 Cb -0.13 0.52 -0.04 0.00 -1.10 0.00 0.00 41.96 41.22 1xz0 s TYR 10 CO 0.03 -0.77 0.24 -1.54 -2.51 0.00 0.00 175.55 171.00 1xz0 s SER 11 N -2.34 5.95 0.04 -0.18 1.04 -1.26 -1.04 113.70 115.91 1xz0 s SER 11 Ca -0.02 -0.00 -0.16 0.00 0.48 0.00 0.00 55.95 56.25 1xz0 s SER 11 Cb -0.01 -1.68 -0.25 0.00 0.10 0.00 0.00 66.02 64.18 1xz0 s SER 11 CO -0.07 0.02 1.12 -0.09 0.98 0.00 0.00 173.24 175.21 1xz0 h ARG 12 N 1.97 0.58 -6.33 4.02 9.65 -1.80 -3.46 114.38 119.01 1xz0 h ARG 12 Ca -0.49 -0.68 -0.62 0.00 -1.10 0.00 0.00 59.98 57.09 1xz0 h ARG 12 Cb 1.21 0.21 -0.15 0.00 -1.39 0.00 0.00 29.97 29.84 1xz0 h ARG 12 CO 0.64 1.28 -0.78 -1.01 2.80 0.00 0.00 179.97 182.90 1xz0 s HIS 13 N -3.15 2.29 0.47 2.20 3.76 -1.26 -5.04 115.29 114.57 1xz0 s HIS 13 Ca -0.11 -0.34 -0.24 0.00 -0.15 0.00 0.00 55.06 54.22 1xz0 s HIS 13 Cb 0.05 -1.04 -0.07 0.00 1.11 0.00 0.00 32.58 32.63 1xz0 s HIS 13 CO 0.89 0.65 1.41 -1.25 -0.85 0.00 0.00 174.74 175.59 1xz0 s PRO 14 N -3.26 3.56 0.18 8.40 0.04 -1.26 -4.92 135.00 137.74 1xz0 s PRO 14 Ca 0.27 2.37 -0.31 0.00 0.04 0.00 0.00 61.00 63.37 1xz0 s PRO 14 Cb -0.06 -2.56 -0.10 0.00 0.04 0.00 0.00 34.50 31.82 1xz0 s PRO 14 CO 0.13 -0.90 1.52 0.00 0.04 0.00 0.00 177.00 177.79 1xz0 s ALA 15 N -1.23 3.72 -0.25 8.56 0.00 -1.26 -4.99 121.76 126.31 1xz0 s ALA 15 Ca 0.63 1.34 -0.04 0.00 0.00 0.00 0.00 51.96 53.89 1xz0 s ALA 15 Cb -0.43 -3.60 0.09 0.00 0.00 0.00 0.00 23.12 19.18 1xz0 s ALA 15 CO 0.54 -0.76 0.11 -2.00 0.00 0.00 0.00 175.76 173.65 1xz0 s GLU 16 N 0.73 0.25 0.01 0.00 2.12 -1.26 -5.11 118.70 115.45 1xz0 s GLU 16 Ca 0.67 -0.47 -0.36 0.00 0.36 0.00 0.00 54.97 55.17 1xz0 s GLU 16 Cb -0.43 -1.50 -0.15 0.00 0.26 0.00 0.00 34.13 32.31 1xz0 s GLU 16 CO 0.34 -0.90 1.58 0.09 -0.54 0.00 0.00 175.26 175.84 1xz0 n ASN 17 N 5.20 2.53 0.00 -1.70 3.02 -1.26 -1.75 115.26 121.29 1xz0 n ASN 17 Ca -0.06 1.07 0.00 0.00 -0.03 0.00 0.00 54.58 55.56 1xz0 n ASN 17 Cb 0.44 -1.28 0.00 0.00 -0.61 0.00 0.00 39.78 38.33 1xz0 n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xz0 n GLY 18 N 3.41 0.77 3.29 7.41 0.00 -0.62 -5.02 105.19 114.43 1xz0 n GLY 18 Ca 0.20 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.91 1xz0 n GLY 18 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1xz0 s LYS 19 N -0.66 2.46 0.72 1.61 2.20 -0.72 -5.02 119.74 120.33 1xz0 s LYS 19 Ca 0.00 -0.90 -0.13 0.00 -0.36 0.00 0.00 55.97 54.58 1xz0 s LYS 19 Cb 0.00 -2.15 0.03 0.00 -1.51 0.00 0.00 37.83 34.20 1xz0 s LYS 19 CO 0.00 0.43 1.10 0.45 -0.36 0.00 0.00 175.35 176.97 1xz0 s SER 20 N -0.27 4.81 0.28 1.43 0.15 -1.26 -4.20 113.70 114.64 1xz0 s SER 20 Ca -0.00 1.90 -0.17 0.00 0.70 0.00 0.00 55.95 58.38 1xz0 s SER 20 Cb -0.13 -2.53 0.06 0.00 -1.71 0.00 0.00 66.02 61.71 1xz0 s SER 20 CO 0.03 -1.83 0.85 -3.20 1.20 0.00 0.00 173.24 170.29 1xz0 n ASN 21 N -3.00 -1.94 -4.01 5.45 2.85 -0.34 -4.98 115.26 109.29 1xz0 n ASN 21 Ca 0.10 -2.22 -0.26 0.00 -0.11 0.00 0.00 54.58 52.09 1xz0 n ASN 21 Cb 0.53 3.21 -0.17 0.00 1.24 0.00 0.00 39.78 44.59 1xz0 n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 1xz0 s PHE 22 N -2.42 1.56 -0.17 1.20 0.08 -1.26 -2.18 117.98 114.78 1xz0 s PHE 22 Ca 0.18 -0.65 -0.12 0.00 0.12 0.00 0.00 56.93 56.46 1xz0 s PHE 22 Cb -0.04 -1.17 -0.05 0.00 -0.57 0.00 0.00 43.02 41.19 1xz0 s PHE 22 CO 0.09 -0.36 0.23 -1.17 -0.10 0.00 0.00 175.22 173.91 1xz0 s LEU 23 N 0.93 4.23 0.17 -0.37 2.96 -0.85 -1.99 118.68 123.77 1xz0 s LEU 23 Ca -0.09 0.41 0.10 0.00 -0.22 0.00 0.00 54.13 54.32 1xz0 s LEU 23 Cb -0.15 -2.27 -0.04 0.00 0.50 0.00 0.00 46.19 44.23 1xz0 s LEU 23 CO 0.00 0.13 -0.17 0.20 -1.32 0.00 0.00 176.35 175.19 1xz0 s ASN 24 N 0.40 3.83 -0.24 3.68 -0.87 -0.20 -2.67 114.94 118.87 1xz0 s ASN 24 Ca 0.13 -0.70 -0.04 0.00 -1.57 0.00 0.00 52.86 50.69 1xz0 s ASN 24 Cb -0.12 -0.48 0.09 0.00 -0.02 0.00 0.00 41.25 40.71 1xz0 s ASN 24 CO 0.02 0.13 0.13 0.00 -2.57 0.00 0.00 177.10 174.80 1xz0 s TYR 26 N 2.14 3.34 -0.18 0.00 5.04 -0.31 -1.77 117.35 125.61 1xz0 s TYR 26 Ca 0.06 0.64 0.01 0.00 -2.44 0.00 0.00 57.07 55.34 1xz0 s TYR 26 Cb -0.16 -2.60 0.03 0.00 0.35 0.00 0.00 41.96 39.58 1xz0 s TYR 26 CO -0.26 -0.10 -0.13 0.08 -1.34 0.00 0.00 175.55 173.80 1xz0 s VAL 27 N 1.65 1.69 0.06 3.14 1.01 -0.46 -1.85 120.40 125.63 1xz0 s VAL 27 Ca 0.20 -0.91 -0.02 0.00 0.00 0.00 0.00 61.98 61.25 1xz0 s VAL 27 Cb -0.15 -1.69 -0.03 0.00 0.00 0.00 0.00 36.38 34.51 1xz0 s VAL 27 CO 0.09 0.29 0.01 -0.94 0.00 0.00 0.00 175.10 174.55 1xz0 s SER 28 N 1.40 0.42 -0.65 3.32 1.04 -0.83 -0.61 113.70 117.79 1xz0 s SER 28 Ca 0.01 -0.95 0.00 0.00 0.48 0.00 0.00 55.95 55.49 1xz0 s SER 28 Cb -0.15 0.23 0.00 0.00 0.10 0.00 0.00 66.02 66.20 1xz0 s SER 28 CO -0.09 -0.63 0.00 0.61 0.98 0.00 0.00 173.24 174.11 1xz0 n GLY 29 N 0.08 0.77 3.92 7.32 0.00 -0.66 -0.60 105.19 116.02 1xz0 n GLY 29 Ca -0.14 -0.75 -0.30 0.00 0.00 0.00 0.00 46.02 44.83 1xz0 n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1xz0 s PHE 30 N -2.24 3.50 -0.26 1.61 -0.71 -1.16 -4.25 117.98 114.47 1xz0 s PHE 30 Ca 0.00 0.29 -0.17 0.00 -1.04 0.00 0.00 56.93 56.00 1xz0 s PHE 30 Cb 0.00 -1.79 0.07 0.00 -1.21 0.00 0.00 43.02 40.09 1xz0 s PHE 30 CO 0.00 0.54 0.65 -1.58 -1.34 0.00 0.00 175.22 173.49 1xz0 s HIS 31 N -1.60 -0.92 0.88 3.49 2.46 -0.81 -0.71 115.29 118.07 1xz0 s HIS 31 Ca 0.36 1.95 -0.15 0.00 0.47 0.00 0.00 55.06 57.69 1xz0 s HIS 31 Cb -0.12 0.49 0.21 0.00 -0.13 0.00 0.00 32.58 33.02 1xz0 s HIS 31 CO 0.28 -0.46 1.11 -0.35 -2.47 0.00 0.00 174.74 172.85 1xz0 n PRO 32 N 3.85 -1.40 0.21 2.88 -0.04 -1.26 -1.16 135.00 138.08 1xz0 n PRO 32 Ca -0.19 -1.73 0.11 0.00 -0.04 0.00 0.00 63.50 61.66 1xz0 n PRO 32 Cb 0.58 -1.22 0.21 0.00 -0.04 0.00 0.00 33.50 33.03 1xz0 n PRO 32 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1xz0 h SER 33 N -1.67 0.00 -1.78 3.54 4.64 -2.00 -3.45 113.55 112.83 1xz0 h SER 33 Ca -0.37 0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 60.34 1xz0 h SER 33 Cb 1.03 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.12 1xz0 h SER 33 CO 0.26 0.09 1.46 -0.67 -0.87 0.00 0.00 176.83 177.10 1xz0 n ASP 34 N -3.13 3.03 -3.72 4.97 2.03 -1.26 -4.96 116.55 113.51 1xz0 n ASP 34 Ca 0.03 0.28 -0.14 0.00 0.52 0.00 0.00 54.79 55.48 1xz0 n ASP 34 Cb 0.54 -1.49 -0.09 0.00 -0.72 0.00 0.00 41.12 39.36 1xz0 n ASP 34 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1xz0 s ILE 35 N 7.93 0.03 -0.19 5.18 2.07 -1.26 -4.62 121.20 130.34 1xz0 s ILE 35 Ca 1.02 -0.25 -0.02 0.00 -1.41 0.00 0.00 60.65 60.00 1xz0 s ILE 35 Cb -0.46 -0.65 -0.00 0.00 0.13 0.00 0.00 42.46 41.48 1xz0 s ILE 35 CO 0.39 -0.14 -0.11 -0.70 -1.91 0.00 0.00 174.94 172.47 1xz0 s GLU 36 N -0.75 3.27 -0.05 3.50 2.12 -0.88 -5.02 118.70 120.89 1xz0 s GLU 36 Ca -0.08 -0.70 0.06 0.00 0.36 0.00 0.00 54.97 54.61 1xz0 s GLU 36 Cb -0.04 -2.79 -0.01 0.00 0.26 0.00 0.00 34.13 31.55 1xz0 s GLU 36 CO 0.04 -0.10 -0.25 0.08 -0.54 0.00 0.00 175.26 174.49 1xz0 s VAL 37 N 1.14 2.04 0.10 3.70 1.01 -1.26 -1.66 120.40 125.48 1xz0 s VAL 37 Ca 0.01 -1.06 0.05 0.00 0.00 0.00 0.00 61.98 60.98 1xz0 s VAL 37 Cb -0.14 -1.72 -0.04 0.00 0.00 0.00 0.00 36.38 34.48 1xz0 s VAL 37 CO -0.03 0.57 -0.13 -1.81 0.00 0.00 0.00 175.10 173.69 1xz0 s ASP 38 N -0.21 1.78 -0.06 3.32 1.11 -0.42 -5.02 116.67 117.17 1xz0 s ASP 38 Ca -0.02 -0.77 0.03 0.00 0.18 0.00 0.00 52.55 51.96 1xz0 s ASP 38 Cb -0.13 -0.04 -0.03 0.00 1.07 0.00 0.00 42.92 43.79 1xz0 s ASP 38 CO 0.03 -0.16 -0.12 -0.76 1.18 0.00 0.00 175.17 175.33 1xz0 s LEU 39 N -2.31 2.84 -0.02 1.23 1.43 -1.26 -1.25 118.68 119.33 1xz0 s LEU 39 Ca 0.06 -0.17 0.05 0.00 -1.03 0.00 0.00 54.13 53.04 1xz0 s LEU 39 Cb -0.05 -1.59 -0.03 0.00 0.03 0.00 0.00 46.19 44.55 1xz0 s LEU 39 CO 0.02 0.33 -0.17 -0.76 0.23 0.00 0.00 176.35 176.00 1xz0 s LEU 40 N -0.63 2.60 -0.29 1.79 1.43 -0.78 -1.73 118.68 121.08 1xz0 s LEU 40 Ca 0.09 -0.30 -0.05 0.00 -1.03 0.00 0.00 54.13 52.85 1xz0 s LEU 40 Cb -0.11 -1.52 0.02 0.00 0.03 0.00 0.00 46.19 44.61 1xz0 s LEU 40 CO 0.01 0.32 0.04 -0.75 0.23 0.00 0.00 176.35 176.20 1xz0 s LYS 41 N -0.90 2.95 -1.45 1.70 2.20 -0.22 -2.10 119.74 121.92 1xz0 s LYS 41 Ca 0.12 -0.94 -0.07 0.00 -0.36 0.00 0.00 55.97 54.72 1xz0 s LYS 41 Cb -0.10 -3.27 0.05 0.00 -1.51 0.00 0.00 37.83 32.99 1xz0 s LYS 41 CO 0.02 -0.46 0.79 0.09 -0.36 0.00 0.00 175.35 175.42 1xz0 n ASN 42 N 4.80 -2.75 0.00 1.43 3.02 0.85 -2.38 115.26 120.23 1xz0 n ASN 42 Ca -0.15 -0.85 0.00 0.00 -0.03 0.00 0.00 54.58 53.56 1xz0 n ASN 42 Cb 0.47 -3.73 0.00 0.00 -0.61 0.00 0.00 39.78 35.91 1xz0 n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xz0 n GLY 43 N -1.67 0.32 3.55 7.41 0.00 -1.26 -4.99 105.19 108.56 1xz0 n GLY 43 Ca -0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.58 1xz0 n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xz0 s GLU 44 N -0.82 2.28 0.81 1.61 0.41 -1.00 -5.03 118.70 116.96 1xz0 s GLU 44 Ca 0.00 -0.90 -0.12 0.00 -0.41 0.00 0.00 54.97 53.54 1xz0 s GLU 44 Cb 0.00 -2.35 0.09 0.00 -1.78 0.00 0.00 34.13 30.08 1xz0 s GLU 44 CO 0.00 0.55 1.17 0.50 -0.49 0.00 0.00 175.26 176.99 1xz0 s ARG 45 N -1.72 1.68 -0.22 1.61 3.52 -1.26 -1.06 118.95 121.49 1xz0 s ARG 45 Ca 0.18 1.62 -0.04 0.00 -0.13 0.00 0.00 55.73 57.36 1xz0 s ARG 45 Cb -0.11 -1.79 -0.01 0.00 -1.56 0.00 0.00 34.95 31.48 1xz0 s ARG 45 CO 0.09 -2.16 -0.04 0.42 -0.81 0.00 0.00 175.30 172.81 1xz0 s ILE 46 N -2.34 3.40 0.80 4.11 1.01 -0.70 -4.66 121.20 122.81 1xz0 s ILE 46 Ca 0.70 -0.50 -0.11 0.00 0.00 0.00 0.00 60.65 60.74 1xz0 s ILE 46 Cb -0.25 -2.56 0.07 0.00 0.01 0.00 0.00 42.46 39.73 1xz0 s ILE 46 CO 0.52 0.41 1.09 -1.61 0.00 0.00 0.00 174.94 175.34 1xz0 s GLU 47 N 1.48 2.08 -0.93 2.79 0.41 -1.26 -4.29 118.70 118.98 1xz0 s GLU 47 Ca 0.06 1.01 -0.09 0.00 -0.41 0.00 0.00 54.97 55.53 1xz0 s GLU 47 Cb -0.14 -1.89 0.01 0.00 -1.78 0.00 0.00 34.13 30.32 1xz0 s GLU 47 CO -0.03 -1.72 0.67 1.63 -0.49 0.00 0.00 175.26 175.32 1xz0 n LYS 48 N -3.55 -1.25 -4.64 1.61 4.76 -1.26 -5.01 118.16 108.82 1xz0 n LYS 48 Ca 0.08 0.73 -0.34 0.00 -2.87 0.00 0.00 58.31 55.92 1xz0 n LYS 48 Cb 0.54 -3.29 -0.11 0.00 -1.84 0.00 0.00 35.03 30.33 1xz0 n LYS 48 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1xz0 s VAL 49 N -3.16 3.64 0.29 -0.18 0.11 -1.26 -4.95 120.40 114.89 1xz0 s VAL 49 Ca 0.16 -0.52 0.06 0.00 -2.93 0.00 0.00 61.98 58.76 1xz0 s VAL 49 Cb -0.07 -2.48 -0.02 0.00 -1.53 0.00 0.00 36.38 32.27 1xz0 s VAL 49 CO 0.88 0.59 0.37 -0.70 -3.33 0.00 0.00 175.10 172.90 1xz0 s GLU 50 N -0.83 3.12 -0.03 1.54 2.56 -1.05 -4.96 118.70 119.05 1xz0 s GLU 50 Ca 0.13 -0.99 -0.16 0.00 0.00 0.00 0.00 54.97 53.94 1xz0 s GLU 50 Cb -0.11 -2.75 0.03 0.00 2.00 0.00 0.00 34.13 33.30 1xz0 s GLU 50 CO 0.02 0.23 0.36 -3.38 -0.56 0.00 0.00 175.26 171.92 1xz0 s HIS 51 N -2.13 -0.26 1.00 5.30 -3.43 -1.26 -2.22 115.29 112.29 1xz0 s HIS 51 Ca 0.39 0.45 -0.13 0.00 -0.80 0.00 0.00 55.06 54.97 1xz0 s HIS 51 Cb -0.08 0.13 0.11 0.00 -1.43 0.00 0.00 32.58 31.31 1xz0 s HIS 51 CO 0.29 -0.39 0.63 -1.13 -2.00 0.00 0.00 174.74 172.14 1xz0 n SER 52 N 1.44 -1.41 -4.77 7.38 3.41 -0.65 -4.97 113.62 114.06 1xz0 n SER 52 Ca -0.20 0.22 -0.40 0.00 -0.26 0.00 0.00 58.87 58.22 1xz0 n SER 52 Cb 0.56 -1.25 -0.02 0.00 -0.26 0.00 0.00 64.21 63.24 1xz0 n SER 52 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1xz0 s ASP 53 N -2.21 6.69 0.25 4.04 1.11 -1.26 -4.82 116.67 120.47 1xz0 s ASP 53 Ca 0.61 2.68 -0.31 0.00 0.18 0.00 0.00 52.55 55.71 1xz0 s ASP 53 Cb -0.21 -2.65 -0.12 0.00 1.07 0.00 0.00 42.92 41.02 1xz0 s ASP 53 CO 0.64 -0.59 1.63 -0.11 1.18 0.00 0.00 175.17 177.92 1xz0 n LEU 54 N 0.66 4.06 -4.18 1.23 7.94 -1.26 -4.94 117.00 120.52 1xz0 n LEU 54 Ca 0.01 1.11 -0.14 0.00 -1.11 0.00 0.00 56.01 55.88 1xz0 n LEU 54 Cb 0.42 -1.56 -0.08 0.00 0.53 0.00 0.00 43.42 42.73 1xz0 n LEU 54 CO 0.58 0.09 -0.10 -0.55 -1.11 0.00 0.00 177.39 176.31 1xz0 s SER 55 N 0.75 0.57 0.07 1.96 0.15 -1.24 -5.07 113.70 110.90 1xz0 s SER 55 Ca 0.69 -1.42 0.00 0.00 0.70 0.00 0.00 55.95 55.92 1xz0 s SER 55 Cb -0.52 0.49 -0.04 0.00 -1.71 0.00 0.00 66.02 64.24 1xz0 s SER 55 CO 0.42 -1.00 -0.04 0.72 1.20 0.00 0.00 173.24 174.54 1xz0 s PHE 56 N -3.83 0.68 0.66 3.44 -0.71 -1.26 -2.04 117.98 114.92 1xz0 s PHE 56 Ca 0.36 -1.01 -0.02 0.00 -1.04 0.00 0.00 56.93 55.22 1xz0 s PHE 56 Cb 0.04 -0.45 0.13 0.00 -1.21 0.00 0.00 43.02 41.54 1xz0 s PHE 56 CO 0.16 -0.29 0.90 0.43 -1.34 0.00 0.00 175.22 175.09 1xz0 n SER 57 N 0.04 1.00 0.26 1.98 7.64 -0.08 -4.94 113.62 119.53 1xz0 n SER 57 Ca -0.13 -1.89 0.14 0.00 1.01 0.00 0.00 58.87 57.99 1xz0 n SER 57 Cb 0.61 -0.60 0.70 0.00 -1.01 0.00 0.00 64.21 63.90 1xz0 n SER 57 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 1xz0 h LYS 58 N 0.00 0.00 -0.68 1.43 3.64 -2.03 -1.55 116.57 117.38 1xz0 h LYS 58 Ca -0.30 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.08 1xz0 h LYS 58 Cb 1.04 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.86 1xz0 h LYS 58 CO 0.30 0.12 0.00 -0.40 -2.27 0.00 0.00 179.45 177.20 1xz0 n ASP 59 N -3.44 4.11 0.00 4.20 5.75 -1.26 -4.92 116.55 120.99 1xz0 n ASP 59 Ca -0.01 -2.56 0.00 0.00 -0.01 0.00 0.00 54.79 52.21 1xz0 n ASP 59 Cb 0.28 -0.59 0.00 0.00 -1.03 0.00 0.00 41.12 39.78 1xz0 n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1xz0 n TRP 60 N 0.51 0.00 -2.60 2.11 7.02 -0.58 -5.01 117.44 118.90 1xz0 n TRP 60 Ca 0.19 0.00 -0.32 0.00 -1.02 0.00 0.00 57.50 56.36 1xz0 n TRP 60 Cb 0.85 -0.27 -0.04 0.00 -2.42 0.00 0.00 31.31 29.43 1xz0 n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1xz0 s SER 61 N -2.94 6.61 0.23 -0.99 1.04 -1.26 -4.65 113.70 111.74 1xz0 s SER 61 Ca 0.00 1.42 -0.01 0.00 0.48 0.00 0.00 55.95 57.84 1xz0 s SER 61 Cb 0.00 -2.44 -0.04 0.00 0.10 0.00 0.00 66.02 63.63 1xz0 s SER 61 CO 0.00 -0.50 0.43 -0.36 0.98 0.00 0.00 173.24 173.79 1xz0 s PHE 62 N -2.49 3.48 0.01 5.02 0.08 0.11 -0.90 117.98 123.30 1xz0 s PHE 62 Ca 0.56 0.35 -0.10 0.00 0.12 0.00 0.00 56.93 57.87 1xz0 s PHE 62 Cb -0.10 -1.87 0.01 0.00 -0.57 0.00 0.00 43.02 40.49 1xz0 s PHE 62 CO 0.30 0.32 0.21 1.52 -0.10 0.00 0.00 175.22 177.47 1xz0 s TYR 63 N -1.96 -0.01 0.01 0.36 -0.85 -0.87 -1.65 117.35 112.37 1xz0 s TYR 63 Ca 0.39 -0.08 -0.02 0.00 -0.52 0.00 0.00 57.07 56.84 1xz0 s TYR 63 Cb -0.11 0.00 -0.01 0.00 0.38 0.00 0.00 41.96 42.22 1xz0 s TYR 63 CO 0.30 -0.37 0.02 -0.51 -1.52 0.00 0.00 175.55 173.47 1xz0 s LEU 64 N -1.65 2.00 -0.19 -3.49 1.43 0.21 -3.61 118.68 113.39 1xz0 s LEU 64 Ca -0.11 -0.34 -0.06 0.00 -1.03 0.00 0.00 54.13 52.59 1xz0 s LEU 64 Cb -0.04 0.25 -0.03 0.00 0.03 0.00 0.00 46.19 46.40 1xz0 s LEU 64 CO 0.00 -0.28 0.04 -0.22 0.23 0.00 0.00 176.35 176.12 1xz0 s LEU 65 N -1.22 3.56 -0.09 1.79 2.96 -1.26 -1.36 118.68 123.05 1xz0 s LEU 65 Ca -0.13 -0.05 0.03 0.00 -0.22 0.00 0.00 54.13 53.75 1xz0 s LEU 65 Cb -0.08 -1.90 -0.01 0.00 0.50 0.00 0.00 46.19 44.69 1xz0 s LEU 65 CO -0.00 0.12 -0.19 -0.31 -1.32 0.00 0.00 176.35 174.65 1xz0 s TYR 66 N 0.69 2.65 0.13 5.38 1.51 -0.73 -1.63 117.35 125.35 1xz0 s TYR 66 Ca 0.02 -0.69 -0.10 0.00 -1.01 0.00 0.00 57.07 55.29 1xz0 s TYR 66 Cb -0.14 -1.72 0.00 0.00 -0.11 0.00 0.00 41.96 39.99 1xz0 s TYR 66 CO 0.02 -0.20 0.28 1.52 -1.11 0.00 0.00 175.55 176.05 1xz0 s TYR 67 N 0.07 0.21 -0.04 2.71 1.13 -0.94 -0.45 117.35 120.04 1xz0 s TYR 67 Ca -0.08 -0.59 -0.29 0.00 -1.41 0.00 0.00 57.07 54.70 1xz0 s TYR 67 Cb -0.15 0.01 0.10 0.00 -1.10 0.00 0.00 41.96 40.81 1xz0 s TYR 67 CO 0.05 -0.67 0.85 -0.08 -2.51 0.00 0.00 175.55 173.19 1xz0 s THR 68 N -3.90 0.00 0.40 -3.49 -1.32 -1.09 -2.52 115.64 103.72 1xz0 s THR 68 Ca 0.11 0.00 -0.26 0.00 -1.21 0.00 0.00 61.69 60.33 1xz0 s THR 68 Cb 0.03 -1.00 -0.09 0.00 -1.51 0.00 0.00 72.50 69.94 1xz0 s THR 68 CO -0.06 0.00 1.20 -1.61 -2.21 0.00 0.00 174.62 171.95 1xz0 s GLU 69 N -2.29 4.05 0.04 7.08 2.02 -1.26 -2.00 118.70 126.33 1xz0 s GLU 69 Ca -0.00 1.92 -0.27 0.00 0.02 0.00 0.00 54.97 56.64 1xz0 s GLU 69 Cb -0.01 -2.72 0.08 0.00 0.10 0.00 0.00 34.13 31.58 1xz0 s GLU 69 CO -0.03 -0.35 0.68 -0.59 0.02 0.00 0.00 175.26 174.99 1xz0 s PHE 70 N -1.36 -0.57 -0.32 1.61 -0.71 -0.93 -4.89 117.98 110.81 1xz0 s PHE 70 Ca 0.57 0.69 0.03 0.00 -1.04 0.00 0.00 56.93 57.18 1xz0 s PHE 70 Cb -0.33 0.49 0.09 0.00 -1.21 0.00 0.00 43.02 42.06 1xz0 s PHE 70 CO 0.41 -0.69 0.03 0.99 -1.34 0.00 0.00 175.22 174.62 1xz0 s THR 71 N -2.42 2.13 0.49 -4.49 2.01 -1.26 -1.20 115.64 110.90 1xz0 s THR 71 Ca -0.04 -2.13 -0.22 0.00 0.31 0.00 0.00 61.69 59.60 1xz0 s THR 71 Cb -0.01 -2.52 -0.06 0.00 0.01 0.00 0.00 72.50 69.92 1xz0 s THR 71 CO -0.02 -0.51 1.21 -2.16 -0.69 0.00 0.00 174.62 172.45 1xz0 s PRO 72 N 1.00 3.55 0.10 4.92 0.04 -1.26 -4.78 135.00 138.57 1xz0 s PRO 72 Ca 0.07 1.87 0.03 0.00 0.04 0.00 0.00 61.00 63.02 1xz0 s PRO 72 Cb -0.19 -2.32 -0.04 0.00 0.04 0.00 0.00 34.50 31.99 1xz0 s PRO 72 CO -0.09 -0.75 -0.10 0.99 0.04 0.00 0.00 177.00 177.10 1xz0 s THR 73 N -1.51 0.90 0.36 1.26 2.01 -1.26 -1.60 115.64 115.81 1xz0 s THR 73 Ca 0.67 -1.66 0.19 0.00 0.31 0.00 0.00 61.69 61.20 1xz0 s THR 73 Cb -0.31 -1.37 0.35 0.00 0.01 0.00 0.00 72.50 71.18 1xz0 s THR 73 CO 0.37 -0.59 1.59 -0.08 -0.69 0.00 0.00 174.62 175.22 1xz0 h GLU 74 N 3.52 0.04 -0.01 4.92 4.81 -1.96 -2.85 114.58 123.05 1xz0 h GLU 74 Ca -0.37 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.86 1xz0 h GLU 74 Cb 1.19 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.56 1xz0 h GLU 74 CO 0.54 0.03 0.00 0.36 -0.73 0.00 0.00 179.01 179.21 1xz0 n LYS 75 N -5.24 2.41 -3.31 1.92 0.00 -1.26 -5.04 118.16 107.63 1xz0 n LYS 75 Ca 0.37 -1.37 -0.38 0.00 -0.00 0.00 0.00 58.31 56.93 1xz0 n LYS 75 Cb 1.23 -1.01 -0.06 0.00 -0.00 0.00 0.00 35.03 35.19 1xz0 n LYS 75 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1xz0 s ASP 76 N -0.86 6.93 -0.25 -5.58 1.11 -1.08 -5.07 116.67 111.88 1xz0 s ASP 76 Ca 0.01 1.11 -0.05 0.00 0.18 0.00 0.00 52.55 53.79 1xz0 s ASP 76 Cb 0.00 -2.33 -0.00 0.00 1.07 0.00 0.00 42.92 41.66 1xz0 s ASP 76 CO 0.00 0.21 0.02 -0.70 1.18 0.00 0.00 175.17 175.88 1xz0 s GLU 77 N -0.64 3.30 -0.01 8.23 2.12 -1.26 -4.75 118.70 125.69 1xz0 s GLU 77 Ca 0.28 -0.70 0.05 0.00 0.36 0.00 0.00 54.97 54.96 1xz0 s GLU 77 Cb -0.18 -3.19 -0.03 0.00 0.26 0.00 0.00 34.13 30.99 1xz0 s GLU 77 CO 0.16 -0.29 -0.14 0.71 -0.54 0.00 0.00 175.26 175.16 1xz0 s TYR 78 N 1.50 2.69 0.35 5.30 1.51 -1.26 -0.10 117.35 127.34 1xz0 s TYR 78 Ca 0.04 -0.17 -0.05 0.00 -1.01 0.00 0.00 57.07 55.88 1xz0 s TYR 78 Cb -0.16 -1.58 0.02 0.00 -0.11 0.00 0.00 41.96 40.14 1xz0 s TYR 78 CO -0.00 0.23 0.56 0.00 -1.11 0.00 0.00 175.55 175.23 1xz0 n ALA 79 N 1.96 -0.72 -3.75 3.71 0.00 -0.89 -1.43 120.51 119.39 1xz0 n ALA 79 Ca -0.17 -1.47 -0.22 0.00 0.00 0.00 0.00 53.44 51.58 1xz0 n ALA 79 Cb 0.52 1.18 -0.17 0.00 0.00 0.00 0.00 19.45 20.98 1xz0 n ALA 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xz0 s ARG 81 N 1.84 3.52 -0.05 0.00 3.52 -0.38 -0.94 118.95 126.45 1xz0 s ARG 81 Ca 0.03 -0.58 0.05 0.00 -0.13 0.00 0.00 55.73 55.09 1xz0 s ARG 81 Cb -0.12 -2.92 -0.00 0.00 -1.56 0.00 0.00 34.95 30.34 1xz0 s ARG 81 CO -0.04 0.06 -0.20 0.08 -0.81 0.00 0.00 175.30 174.39 1xz0 s VAL 82 N 0.81 1.65 -0.03 7.11 1.01 0.23 -1.30 120.40 129.88 1xz0 s VAL 82 Ca -0.02 -0.83 0.06 0.00 0.00 0.00 0.00 61.98 61.19 1xz0 s VAL 82 Cb -0.15 -1.41 -0.01 0.00 0.00 0.00 0.00 36.38 34.81 1xz0 s VAL 82 CO 0.02 0.47 -0.23 0.21 0.00 0.00 0.00 175.10 175.57 1xz0 s ASN 83 N 0.02 2.71 -0.14 3.32 2.47 -0.66 -1.26 114.94 121.40 1xz0 s ASN 83 Ca -0.05 -0.43 -0.20 0.00 0.42 0.00 0.00 52.86 52.60 1xz0 s ASN 83 Cb -0.13 -0.49 0.05 0.00 -1.45 0.00 0.00 41.25 39.23 1xz0 s ASN 83 CO 0.03 0.25 0.52 -2.28 -3.72 0.00 0.00 177.10 171.91 1xz0 s HIS 84 N -0.35 -0.53 0.58 0.43 5.65 -1.26 -2.07 115.29 117.75 1xz0 s HIS 84 Ca 0.04 1.17 0.29 0.00 0.25 0.00 0.00 55.06 56.80 1xz0 s HIS 84 Cb -0.11 0.22 1.47 0.00 -1.18 0.00 0.00 32.58 32.99 1xz0 s HIS 84 CO 0.01 -0.37 1.90 -0.24 -0.65 0.00 0.00 174.74 175.39 1xz0 h VAL 85 N 3.96 0.40 0.00 0.89 3.04 -1.96 0.20 116.25 122.79 1xz0 h VAL 85 Ca -0.28 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.41 1xz0 h VAL 85 Cb 1.17 0.61 0.00 0.00 -2.01 0.00 0.00 31.29 31.06 1xz0 h VAL 85 CO 0.25 0.00 0.00 0.35 -1.01 0.00 0.00 177.57 177.16 1xz0 n THR 86 N -3.81 0.61 -4.33 3.17 -2.24 -1.26 -4.78 114.28 101.64 1xz0 n THR 86 Ca 0.10 0.15 -0.34 0.00 -2.27 0.00 0.00 64.05 61.69 1xz0 n THR 86 Cb 0.70 -0.86 -0.13 0.00 -2.10 0.00 0.00 70.33 67.94 1xz0 n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1xz0 s LEU 87 N -2.71 3.03 0.53 3.22 1.43 0.06 -4.99 118.68 119.24 1xz0 s LEU 87 Ca 0.14 -0.25 0.30 0.00 -1.03 0.00 0.00 54.13 53.28 1xz0 s LEU 87 Cb 0.11 -1.74 1.47 0.00 0.03 0.00 0.00 46.19 46.07 1xz0 s LEU 87 CO 0.28 0.11 2.06 0.77 0.23 0.00 0.00 176.35 179.79 1xz0 h SER 88 N 7.16 0.00 -5.15 2.29 4.64 -1.86 -3.44 113.55 117.19 1xz0 h SER 88 Ca -0.33 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 60.94 1xz0 h SER 88 Cb 1.19 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 63.17 1xz0 h SER 88 CO 0.60 0.10 -0.09 0.00 -0.87 0.00 0.00 176.83 176.57 1xz0 s GLN 89 N -4.03 1.29 0.47 4.77 -2.07 -1.26 -5.16 119.66 113.66 1xz0 s GLN 89 Ca -0.02 -0.97 -0.24 0.00 -1.82 0.00 0.00 55.36 52.32 1xz0 s GLN 89 Cb 0.12 0.47 -0.08 0.00 -1.09 0.00 0.00 33.01 32.43 1xz0 s GLN 89 CO 0.57 -0.52 1.21 -0.35 -1.32 0.00 0.00 175.29 174.87 1xz0 n PRO 90 N -0.29 1.66 -4.56 9.60 -0.04 -1.26 -4.91 135.00 135.20 1xz0 n PRO 90 Ca -0.09 0.60 -0.34 0.00 -0.04 0.00 0.00 63.50 63.63 1xz0 n PRO 90 Cb 0.63 -2.34 -0.11 0.00 -0.04 0.00 0.00 33.50 31.64 1xz0 n PRO 90 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 1xz0 s LYS 91 N -2.37 3.01 -0.10 0.54 2.20 -0.39 -4.95 119.74 117.69 1xz0 s LYS 91 Ca 0.65 -0.54 0.01 0.00 -0.36 0.00 0.00 55.97 55.74 1xz0 s LYS 91 Cb -0.49 -2.68 -0.02 0.00 -1.51 0.00 0.00 37.83 33.13 1xz0 s LYS 91 CO 0.55 0.55 -0.13 0.42 -0.36 0.00 0.00 175.35 176.38 1xz0 s ILE 92 N -0.49 3.13 -0.17 5.43 1.09 -1.26 -0.60 121.20 128.33 1xz0 s ILE 92 Ca 0.07 -0.66 0.00 0.00 -1.10 0.00 0.00 60.65 58.96 1xz0 s ILE 92 Cb -0.12 -2.28 0.04 0.00 -1.06 0.00 0.00 42.46 39.04 1xz0 s ILE 92 CO 0.02 0.55 -0.08 -0.69 -0.10 0.00 0.00 174.94 174.64 1xz0 s VAL 93 N -0.14 1.34 0.35 2.92 1.01 -0.12 -4.95 120.40 120.81 1xz0 s VAL 93 Ca -0.01 -0.71 -0.25 0.00 0.00 0.00 0.00 61.98 61.02 1xz0 s VAL 93 Cb -0.13 -1.42 -0.10 0.00 0.00 0.00 0.00 36.38 34.72 1xz0 s VAL 93 CO 0.03 0.22 0.97 -0.75 0.00 0.00 0.00 175.10 175.57 1xz0 s LYS 94 N 1.54 4.45 -0.27 2.72 2.47 -1.26 -1.00 119.74 128.39 1xz0 s LYS 94 Ca 0.01 1.33 -0.18 0.00 -1.56 0.00 0.00 55.97 55.58 1xz0 s LYS 94 Cb -0.15 -2.66 -0.03 0.00 -1.46 0.00 0.00 37.83 33.54 1xz0 s LYS 94 CO -0.08 0.15 0.50 -0.46 0.16 0.00 0.00 175.35 175.62 1xz0 s TRP 95 N -1.71 3.25 -0.15 4.03 -0.00 -0.51 -4.93 118.94 118.91 1xz0 s TRP 95 Ca 0.53 0.56 0.01 0.00 -0.00 0.00 0.00 56.10 57.21 1xz0 s TRP 95 Cb -0.18 -2.72 0.02 0.00 -0.00 0.00 0.00 33.47 30.59 1xz0 s TRP 95 CO 0.23 -0.30 -0.18 0.34 -0.00 0.00 0.00 176.95 177.04 1xz0 s ASP 96 N 1.58 2.91 0.17 5.86 -1.08 -1.26 -4.68 116.67 120.17 1xz0 s ASP 96 Ca 0.20 -0.56 -0.13 0.00 -0.52 0.00 0.00 52.55 51.53 1xz0 s ASP 96 Cb -0.16 -1.33 0.07 0.00 -1.46 0.00 0.00 42.92 40.04 1xz0 s ASP 96 CO 0.10 -0.00 1.79 0.08 0.52 0.00 0.00 175.17 177.66 1xz0 h ARG 97 N 7.81 0.76 -0.01 4.34 0.11 -2.01 -3.51 114.38 121.87 1xz0 h ARG 97 Ca -0.39 -0.08 0.00 0.00 0.10 0.00 0.00 59.98 59.61 1xz0 h ARG 97 Cb 1.15 -0.15 0.00 0.00 1.11 0.00 0.00 29.97 32.08 1xz0 h ARG 97 CO 0.57 0.57 0.00 -0.25 0.10 0.00 0.00 179.97 180.96