#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ao7 s ILE 1 N 0.00 4.01 -0.04 3.17 -1.09 -1.26 -5.07 121.20 120.92 1ao7 s ILE 1 Ca 0.00 1.91 -0.01 0.00 -2.23 0.00 0.00 60.65 60.32 1ao7 s ILE 1 Cb 0.00 -4.17 0.03 0.00 -1.58 0.00 0.00 42.46 36.74 1ao7 s ILE 1 CO 0.00 0.37 0.04 -1.10 -1.23 0.00 0.00 174.94 173.02 1ao7 s GLN 2 N -1.49 0.08 -0.02 2.79 -0.21 -1.26 -4.45 119.66 115.10 1ao7 s GLN 2 Ca 0.44 0.29 0.04 0.00 0.02 0.00 0.00 55.36 56.15 1ao7 s GLN 2 Cb -0.25 -0.57 -0.00 0.00 1.00 0.00 0.00 33.01 33.19 1ao7 s GLN 2 CO 0.31 -0.29 -0.13 1.03 -2.12 0.00 0.00 175.29 174.09 1ao7 s ARG 3 N 1.93 1.23 0.10 2.91 0.52 0.19 -4.94 118.95 120.88 1ao7 s ARG 3 Ca 0.02 -0.46 -0.25 0.00 -0.52 0.00 0.00 55.73 54.52 1ao7 s ARG 3 Cb -0.12 -1.14 -0.07 0.00 0.52 0.00 0.00 34.95 34.14 1ao7 s ARG 3 CO -0.03 0.23 0.77 0.99 0.02 0.00 0.00 175.30 177.28 1ao7 s THR 4 N -0.09 4.55 0.37 0.02 2.01 -1.26 -2.48 115.64 118.77 1ao7 s THR 4 Ca 0.01 1.67 -0.26 0.00 0.31 0.00 0.00 61.69 63.42 1ao7 s THR 4 Cb -0.08 -4.13 -0.09 0.00 0.01 0.00 0.00 72.50 68.21 1ao7 s THR 4 CO 0.00 0.44 1.11 -2.16 -0.69 0.00 0.00 174.62 173.32 1ao7 s PRO 5 N -0.59 4.22 -0.22 4.92 0.04 -1.26 -4.44 135.00 137.68 1ao7 s PRO 5 Ca 0.37 1.70 -0.10 0.00 0.04 0.00 0.00 61.00 63.01 1ao7 s PRO 5 Cb -0.22 -2.73 -0.05 0.00 0.04 0.00 0.00 34.50 31.54 1ao7 s PRO 5 CO 0.25 -0.14 0.15 0.15 0.04 0.00 0.00 177.00 177.45 1ao7 s LYS 6 N -2.19 4.14 -0.07 4.56 1.02 -0.27 -4.92 119.74 122.01 1ao7 s LYS 6 Ca 0.55 -0.23 0.01 0.00 0.02 0.00 0.00 55.97 56.31 1ao7 s LYS 6 Cb -0.28 -3.47 -0.03 0.00 -0.52 0.00 0.00 37.83 33.54 1ao7 s LYS 6 CO 0.35 0.20 -0.07 0.42 -0.92 0.00 0.00 175.35 175.33 1ao7 s ILE 7 N 0.65 3.70 -0.07 2.17 1.01 -1.26 -1.83 121.20 125.57 1ao7 s ILE 7 Ca 0.08 -0.48 -0.02 0.00 0.00 0.00 0.00 60.65 60.23 1ao7 s ILE 7 Cb -0.12 -2.51 0.03 0.00 0.01 0.00 0.00 42.46 39.87 1ao7 s ILE 7 CO 0.01 0.60 0.05 -1.10 0.00 0.00 0.00 174.94 174.49 1ao7 s GLN 8 N -0.78 0.18 -0.28 2.79 -0.21 -0.61 -4.99 119.66 115.76 1ao7 s GLN 8 Ca 0.12 0.20 -0.04 0.00 0.02 0.00 0.00 55.36 55.65 1ao7 s GLN 8 Cb -0.11 -0.91 0.02 0.00 1.00 0.00 0.00 33.01 33.02 1ao7 s GLN 8 CO 0.01 -0.38 0.02 0.54 -2.12 0.00 0.00 175.29 173.37 1ao7 s VAL 9 N 2.09 3.48 0.34 1.09 0.11 -1.26 -0.74 120.40 125.51 1ao7 s VAL 9 Ca 0.04 -0.91 0.00 0.00 -2.93 0.00 0.00 61.98 58.19 1ao7 s VAL 9 Cb -0.13 -2.82 -0.01 0.00 -1.53 0.00 0.00 36.38 31.90 1ao7 s VAL 9 CO -0.05 0.09 0.43 -0.72 -3.33 0.00 0.00 175.10 171.52 1ao7 s TYR 10 N 1.41 1.25 0.39 1.54 1.13 -0.22 -4.48 117.35 118.37 1ao7 s TYR 10 Ca 0.01 -1.40 0.08 0.00 -1.41 0.00 0.00 57.07 54.34 1ao7 s TYR 10 Cb -0.17 -0.24 -0.05 0.00 -1.10 0.00 0.00 41.96 40.39 1ao7 s TYR 10 CO -0.00 -1.08 0.16 -1.54 -2.51 0.00 0.00 175.55 170.58 1ao7 s SER 11 N -3.28 4.47 0.13 -0.18 1.04 -1.26 0.11 113.70 114.72 1ao7 s SER 11 Ca 0.33 -1.00 -0.03 0.00 0.48 0.00 0.00 55.95 55.73 1ao7 s SER 11 Cb 0.00 -0.54 -0.11 0.00 0.10 0.00 0.00 66.02 65.47 1ao7 s SER 11 CO 0.22 -0.47 1.29 -0.09 0.98 0.00 0.00 173.24 175.17 1ao7 h ARG 12 N 1.48 0.34 -5.62 4.02 2.43 -1.15 -3.46 114.38 112.41 1ao7 h ARG 12 Ca -0.43 -0.40 -0.47 0.00 -0.81 0.00 0.00 59.98 57.87 1ao7 h ARG 12 Cb 1.25 0.12 -0.14 0.00 -0.42 0.00 0.00 29.97 30.78 1ao7 h ARG 12 CO 0.68 1.10 -0.73 -1.01 -1.51 0.00 0.00 179.97 178.50 1ao7 s HIS 13 N -3.13 1.80 0.01 2.20 3.76 -1.26 -5.03 115.29 113.64 1ao7 s HIS 13 Ca -0.05 -0.57 -0.32 0.00 -0.15 0.00 0.00 55.06 53.97 1ao7 s HIS 13 Cb 0.09 -0.86 -0.11 0.00 1.11 0.00 0.00 32.58 32.81 1ao7 s HIS 13 CO 0.86 0.38 1.89 -2.30 -0.85 0.00 0.00 174.74 174.72 1ao7 n PRO 14 N -0.43 2.51 -1.96 8.40 -0.02 -1.26 -4.87 135.00 137.37 1ao7 n PRO 14 Ca -0.07 0.92 -0.42 0.00 -2.02 0.00 0.00 63.50 61.90 1ao7 n PRO 14 Cb 0.61 -2.81 -0.03 0.00 -0.02 0.00 0.00 33.50 31.25 1ao7 n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ao7 s ALA 15 N 3.78 3.59 -0.18 3.55 0.00 -1.26 -5.00 121.76 126.24 1ao7 s ALA 15 Ca 0.89 0.97 0.00 0.00 0.00 0.00 0.00 51.96 53.82 1ao7 s ALA 15 Cb -0.57 -3.77 0.04 0.00 0.00 0.00 0.00 23.12 18.82 1ao7 s ALA 15 CO 0.45 -1.46 -0.09 -1.21 0.00 0.00 0.00 175.76 173.46 1ao7 s GLU 16 N 4.15 1.81 0.34 0.00 2.02 -1.26 -5.11 118.70 120.64 1ao7 s GLU 16 Ca 0.76 -0.67 -0.25 0.00 0.02 0.00 0.00 54.97 54.82 1ao7 s GLU 16 Cb -0.34 -2.21 -0.14 0.00 0.10 0.00 0.00 34.13 31.54 1ao7 s GLU 16 CO 0.31 -0.41 0.70 0.09 0.02 0.00 0.00 175.26 175.97 1ao7 n ASN 17 N 4.77 -0.21 0.00 -0.19 4.13 -1.26 -1.60 115.26 120.90 1ao7 n ASN 17 Ca -0.14 1.04 0.00 0.00 1.68 0.00 0.00 54.58 57.16 1ao7 n ASN 17 Cb 0.47 -1.14 0.00 0.00 -1.54 0.00 0.00 39.78 37.57 1ao7 n ASN 17 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1ao7 n GLY 18 N 1.63 3.00 3.89 7.41 0.00 -0.08 -4.97 105.19 116.07 1ao7 n GLY 18 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 1ao7 n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ao7 s LYS 19 N -0.14 3.66 0.23 1.61 -0.14 -0.63 -4.94 119.74 119.38 1ao7 s LYS 19 Ca 0.00 -0.01 -0.30 0.00 -1.36 0.00 0.00 55.97 54.30 1ao7 s LYS 19 Cb 0.00 -2.82 -0.09 0.00 -1.68 0.00 0.00 37.83 33.25 1ao7 s LYS 19 CO 0.00 0.44 1.06 0.45 -0.76 0.00 0.00 175.35 176.55 1ao7 s SER 20 N -2.39 7.35 0.16 2.83 0.15 -1.26 -3.90 113.70 116.65 1ao7 s SER 20 Ca 0.42 2.12 -0.01 0.00 0.70 0.00 0.00 55.95 59.18 1ao7 s SER 20 Cb -0.12 -2.61 0.01 0.00 -1.71 0.00 0.00 66.02 61.58 1ao7 s SER 20 CO 0.24 -0.11 0.24 -3.20 1.20 0.00 0.00 173.24 171.60 1ao7 n ASN 21 N 1.75 -0.67 -4.00 5.45 2.85 0.17 -4.97 115.26 115.84 1ao7 n ASN 21 Ca 0.00 -1.87 -0.23 0.00 -0.11 0.00 0.00 54.58 52.37 1ao7 n ASN 21 Cb 0.46 1.23 -0.16 0.00 1.24 0.00 0.00 39.78 42.55 1ao7 n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 1ao7 s PHE 22 N -4.20 1.25 -0.13 1.20 0.40 -1.26 0.22 117.98 115.45 1ao7 s PHE 22 Ca 0.13 -0.42 -0.13 0.00 -0.60 0.00 0.00 56.93 55.91 1ao7 s PHE 22 Cb -0.01 -0.93 -0.05 0.00 0.51 0.00 0.00 43.02 42.55 1ao7 s PHE 22 CO 0.09 -0.23 0.28 -1.17 0.70 0.00 0.00 175.22 174.90 1ao7 s LEU 23 N 0.61 4.30 0.02 -0.37 2.96 0.46 -0.48 118.68 126.19 1ao7 s LEU 23 Ca -0.12 0.56 0.07 0.00 -0.22 0.00 0.00 54.13 54.43 1ao7 s LEU 23 Cb -0.14 -2.35 -0.02 0.00 0.50 0.00 0.00 46.19 44.17 1ao7 s LEU 23 CO 0.02 0.18 -0.22 0.20 -1.32 0.00 0.00 176.35 175.22 1ao7 s ASN 24 N 0.01 2.59 -0.27 3.68 0.01 0.30 -1.73 114.94 119.53 1ao7 s ASN 24 Ca 0.17 -0.49 -0.01 0.00 -0.71 0.00 0.00 52.86 51.82 1ao7 s ASN 24 Cb -0.13 -0.24 0.08 0.00 0.41 0.00 0.00 41.25 41.37 1ao7 s ASN 24 CO 0.05 0.21 0.06 0.00 -1.51 0.00 0.00 177.10 175.91 1ao7 s TYR 26 N 1.64 3.22 -0.17 0.00 5.04 0.08 -2.23 117.35 124.93 1ao7 s TYR 26 Ca 0.05 -0.19 -0.04 0.00 -2.44 0.00 0.00 57.07 54.45 1ao7 s TYR 26 Cb -0.17 -2.45 -0.03 0.00 0.35 0.00 0.00 41.96 39.66 1ao7 s TYR 26 CO -0.17 -0.33 -0.02 0.14 -1.34 0.00 0.00 175.55 173.83 1ao7 s VAL 27 N 1.72 4.02 0.15 3.14 -7.23 -0.79 -1.58 120.40 119.83 1ao7 s VAL 27 Ca 0.06 -0.31 -0.04 0.00 -1.81 0.00 0.00 61.98 59.88 1ao7 s VAL 27 Cb -0.17 -2.78 -0.03 0.00 0.56 0.00 0.00 36.38 33.96 1ao7 s VAL 27 CO 0.10 0.47 0.15 -0.94 -0.31 0.00 0.00 175.10 174.57 1ao7 s SER 28 N 0.53 0.20 -1.23 4.85 1.04 -0.76 -0.91 113.70 117.41 1ao7 s SER 28 Ca -0.02 -1.08 0.00 0.00 0.48 0.00 0.00 55.95 55.34 1ao7 s SER 28 Cb -0.14 0.35 0.00 0.00 0.10 0.00 0.00 66.02 66.33 1ao7 s SER 28 CO 0.02 -0.80 0.00 0.61 0.98 0.00 0.00 173.24 174.06 1ao7 n GLY 29 N -0.15 0.73 3.99 7.32 0.00 0.21 -1.12 105.19 116.18 1ao7 n GLY 29 Ca -0.06 -0.40 -0.19 0.00 0.00 0.00 0.00 46.02 45.36 1ao7 n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1ao7 s PHE 30 N -2.54 3.04 -0.30 1.61 -0.71 -1.14 -4.31 117.98 113.65 1ao7 s PHE 30 Ca 0.00 -0.19 -0.16 0.00 -1.04 0.00 0.00 56.93 55.54 1ao7 s PHE 30 Cb 0.00 -2.18 0.19 0.00 -1.21 0.00 0.00 43.02 39.82 1ao7 s PHE 30 CO 0.00 -0.21 1.15 -1.58 -1.34 0.00 0.00 175.22 173.24 1ao7 s HIS 31 N -2.31 -0.26 1.25 3.49 2.46 -1.03 -1.24 115.29 117.65 1ao7 s HIS 31 Ca 0.49 0.52 -0.17 0.00 0.47 0.00 0.00 55.06 56.37 1ao7 s HIS 31 Cb -0.10 0.16 0.31 0.00 -0.13 0.00 0.00 32.58 32.82 1ao7 s HIS 31 CO 0.33 -0.13 1.00 -1.25 -2.47 0.00 0.00 174.74 172.22 1ao7 s PRO 32 N 1.16 -1.60 0.29 2.88 0.04 -1.26 -0.64 135.00 135.87 1ao7 s PRO 32 Ca -0.08 0.47 0.05 0.00 0.04 0.00 0.00 61.00 61.48 1ao7 s PRO 32 Cb -0.03 -1.50 0.44 0.00 0.04 0.00 0.00 34.50 33.45 1ao7 s PRO 32 CO -0.12 -4.08 1.70 0.66 0.04 0.00 0.00 177.00 175.21 1ao7 h SER 33 N -2.86 0.33 -2.49 6.66 4.64 -2.00 -3.44 113.55 114.38 1ao7 h SER 33 Ca -0.54 -0.13 -0.54 0.00 -0.47 0.00 0.00 61.79 60.11 1ao7 h SER 33 Cb 1.34 -0.09 0.01 0.00 -0.31 0.00 0.00 62.40 63.34 1ao7 h SER 33 CO 0.43 0.67 1.16 1.51 -0.87 0.00 0.00 176.83 179.73 1ao7 s ASP 34 N -6.86 6.55 -0.04 4.97 1.47 -1.26 -4.97 116.67 116.52 1ao7 s ASP 34 Ca -0.05 2.47 -0.15 0.00 1.18 0.00 0.00 52.55 56.00 1ao7 s ASP 34 Cb 0.13 -2.53 0.03 0.00 -0.34 0.00 0.00 42.92 40.21 1ao7 s ASP 34 CO 0.78 -0.99 0.33 -0.51 0.68 0.00 0.00 175.17 175.46 1ao7 s ILE 35 N 4.17 0.04 -0.22 2.11 2.07 -1.26 -4.67 121.20 123.44 1ao7 s ILE 35 Ca 0.81 -0.34 0.01 0.00 -1.41 0.00 0.00 60.65 59.72 1ao7 s ILE 35 Cb -0.38 -0.60 0.03 0.00 0.13 0.00 0.00 42.46 41.64 1ao7 s ILE 35 CO 0.36 -0.19 -0.13 -0.70 -1.91 0.00 0.00 174.94 172.36 1ao7 s GLU 36 N -0.95 2.70 -0.08 3.50 2.12 0.09 -4.95 118.70 121.13 1ao7 s GLU 36 Ca -0.10 -1.04 0.05 0.00 0.36 0.00 0.00 54.97 54.23 1ao7 s GLU 36 Cb -0.04 -2.78 -0.00 0.00 0.26 0.00 0.00 34.13 31.56 1ao7 s GLU 36 CO 0.04 -0.38 -0.23 0.08 -0.54 0.00 0.00 175.26 174.22 1ao7 s VAL 37 N 1.23 1.98 -0.00 3.70 1.01 -1.26 -0.15 120.40 126.92 1ao7 s VAL 37 Ca -0.01 -1.00 0.02 0.00 0.00 0.00 0.00 61.98 60.99 1ao7 s VAL 37 Cb -0.16 -1.70 -0.01 0.00 0.00 0.00 0.00 36.38 34.52 1ao7 s VAL 37 CO -0.08 0.55 -0.06 -1.81 0.00 0.00 0.00 175.10 173.69 1ao7 s ASP 38 N 0.13 0.74 -0.14 3.32 1.01 0.12 -4.97 116.67 116.88 1ao7 s ASP 38 Ca -0.12 -0.13 -0.10 0.00 0.71 0.00 0.00 52.55 52.90 1ao7 s ASP 38 Cb -0.16 -0.08 -0.05 0.00 1.01 0.00 0.00 42.92 43.65 1ao7 s ASP 38 CO 0.06 0.06 0.20 -0.76 0.21 0.00 0.00 175.17 174.95 1ao7 s LEU 39 N -0.22 4.31 0.08 1.23 1.43 -1.26 -0.16 118.68 124.09 1ao7 s LEU 39 Ca 0.02 0.46 0.08 0.00 -1.03 0.00 0.00 54.13 53.66 1ao7 s LEU 39 Cb -0.03 -2.21 -0.04 0.00 0.03 0.00 0.00 46.19 43.95 1ao7 s LEU 39 CO -0.00 0.26 -0.19 -0.76 0.23 0.00 0.00 176.35 175.88 1ao7 s LEU 40 N -0.26 2.59 -0.12 1.79 1.43 0.14 -1.31 118.68 122.94 1ao7 s LEU 40 Ca 0.14 -0.51 -0.01 0.00 -1.03 0.00 0.00 54.13 52.72 1ao7 s LEU 40 Cb -0.12 -1.49 0.03 0.00 0.03 0.00 0.00 46.19 44.63 1ao7 s LEU 40 CO 0.03 0.22 -0.06 -0.75 0.23 0.00 0.00 176.35 176.02 1ao7 s LYS 41 N -1.75 1.37 -1.35 1.70 2.20 -0.49 -1.30 119.74 120.13 1ao7 s LYS 41 Ca 0.16 -0.25 -0.09 0.00 -0.36 0.00 0.00 55.97 55.42 1ao7 s LYS 41 Cb -0.10 -1.58 0.07 0.00 -1.51 0.00 0.00 37.83 34.70 1ao7 s LYS 41 CO 0.07 -0.31 0.55 0.09 -0.36 0.00 0.00 175.35 175.39 1ao7 n ASN 42 N 4.96 -4.07 -0.30 1.43 3.02 0.21 -1.47 115.26 119.04 1ao7 n ASN 42 Ca -0.12 -0.43 -0.04 0.00 -0.03 0.00 0.00 54.58 53.97 1ao7 n ASN 42 Cb 0.50 -3.34 -0.02 0.00 -0.61 0.00 0.00 39.78 36.31 1ao7 n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ao7 n GLY 43 N -1.26 0.68 3.30 7.41 0.00 -1.26 -5.04 105.19 109.03 1ao7 n GLY 43 Ca -0.02 -0.79 -0.24 0.00 0.00 0.00 0.00 46.02 44.96 1ao7 n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ao7 s GLU 44 N -2.18 1.17 0.19 1.61 0.41 -0.54 -5.10 118.70 114.25 1ao7 s GLU 44 Ca 0.00 -1.20 -0.31 0.00 -0.41 0.00 0.00 54.97 53.04 1ao7 s GLU 44 Cb 0.00 -1.45 -0.10 0.00 -1.78 0.00 0.00 34.13 30.80 1ao7 s GLU 44 CO 0.00 0.33 1.54 1.03 -0.49 0.00 0.00 175.26 177.68 1ao7 s ARG 45 N -1.99 4.22 -0.24 1.61 0.52 -1.26 -1.40 118.95 120.41 1ao7 s ARG 45 Ca 0.08 2.35 -0.15 0.00 -0.52 0.00 0.00 55.73 57.49 1ao7 s ARG 45 Cb -0.10 -3.14 -0.04 0.00 0.52 0.00 0.00 34.95 32.19 1ao7 s ARG 45 CO 0.05 -0.57 0.38 0.42 0.02 0.00 0.00 175.30 175.60 1ao7 s ILE 46 N 0.86 5.19 -0.08 1.52 1.01 -0.43 -4.90 121.20 124.37 1ao7 s ILE 46 Ca 0.68 0.62 -0.24 0.00 0.00 0.00 0.00 60.65 61.70 1ao7 s ILE 46 Cb -0.43 -3.71 -0.20 0.00 0.01 0.00 0.00 42.46 38.13 1ao7 s ILE 46 CO 0.34 0.20 0.89 -0.33 0.00 0.00 0.00 174.94 176.04 1ao7 h GLU 47 N 7.83 -0.05 -3.92 2.79 5.08 -1.95 -3.40 114.58 120.96 1ao7 h GLU 47 Ca -0.33 0.00 -0.68 0.00 -1.00 0.00 0.00 59.36 57.35 1ao7 h GLU 47 Cb 1.16 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.41 1ao7 h GLU 47 CO 0.68 0.60 3.09 1.17 -1.00 0.00 0.00 179.01 183.55 1ao7 n LYS 48 N -4.77 2.73 -4.74 2.33 4.81 -1.26 -4.89 118.16 112.38 1ao7 n LYS 48 Ca -0.08 -2.39 -0.33 0.00 -0.87 0.00 0.00 58.31 54.64 1ao7 n LYS 48 Cb 0.33 -3.14 -0.14 0.00 0.02 0.00 0.00 35.03 32.11 1ao7 n LYS 48 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 1ao7 s VAL 49 N 3.35 3.18 -0.10 3.15 1.01 -1.26 -4.66 120.40 125.07 1ao7 s VAL 49 Ca 0.51 -0.62 -0.05 0.00 0.00 0.00 0.00 61.98 61.82 1ao7 s VAL 49 Cb 0.14 -2.33 -0.04 0.00 0.00 0.00 0.00 36.38 34.15 1ao7 s VAL 49 CO -0.05 0.53 0.12 -1.61 0.00 0.00 0.00 175.10 174.09 1ao7 s GLU 50 N 0.18 3.36 0.20 2.72 2.02 -0.48 -4.90 118.70 121.80 1ao7 s GLU 50 Ca -0.07 -0.21 0.10 0.00 0.02 0.00 0.00 54.97 54.82 1ao7 s GLU 50 Cb -0.15 -3.11 -0.04 0.00 0.10 0.00 0.00 34.13 30.93 1ao7 s GLU 50 CO 0.05 0.75 -0.19 -3.38 0.02 0.00 0.00 175.26 172.51 1ao7 s HIS 51 N -1.05 2.01 0.52 1.61 -3.43 -1.26 -1.23 115.29 112.47 1ao7 s HIS 51 Ca 0.16 -0.43 0.03 0.00 -0.80 0.00 0.00 55.06 54.02 1ao7 s HIS 51 Cb -0.12 -0.96 0.03 0.00 -1.43 0.00 0.00 32.58 30.10 1ao7 s HIS 51 CO 0.06 0.46 0.73 -1.54 -2.00 0.00 0.00 174.74 172.45 1ao7 s SER 52 N -2.96 5.34 -0.11 7.38 1.04 -0.47 -4.99 113.70 118.93 1ao7 s SER 52 Ca 0.21 -0.12 -0.29 0.00 0.48 0.00 0.00 55.95 56.22 1ao7 s SER 52 Cb -0.05 -0.79 -0.04 0.00 0.10 0.00 0.00 66.02 65.24 1ao7 s SER 52 CO 0.09 -1.07 1.51 -1.81 0.98 0.00 0.00 173.24 172.94 1ao7 s ASP 53 N -4.42 6.74 -0.11 7.02 1.01 -1.26 -4.79 116.67 120.86 1ao7 s ASP 53 Ca 0.57 1.99 -0.38 0.00 0.71 0.00 0.00 52.55 55.44 1ao7 s ASP 53 Cb -0.10 -2.53 -0.16 0.00 1.01 0.00 0.00 42.92 41.14 1ao7 s ASP 53 CO 0.37 -0.90 1.59 -0.11 0.21 0.00 0.00 175.17 176.33 1ao7 n LEU 54 N 7.06 2.18 0.00 1.23 7.94 -1.26 -4.95 117.00 129.20 1ao7 n LEU 54 Ca 0.16 1.09 -0.04 0.00 -1.11 0.00 0.00 56.01 56.11 1ao7 n LEU 54 Cb 0.44 -1.18 -0.01 0.00 0.53 0.00 0.00 43.42 43.19 1ao7 n LEU 54 CO 0.60 -0.65 -0.02 -0.24 -1.11 0.00 0.00 177.39 175.98 1ao7 n SER 55 N 4.25 0.16 -3.88 1.96 2.88 -1.21 -5.04 113.62 112.76 1ao7 n SER 55 Ca 0.23 -1.38 -0.09 0.00 -1.33 0.00 0.00 58.87 56.30 1ao7 n SER 55 Cb 0.17 0.26 -0.04 0.00 -0.75 0.00 0.00 64.21 63.85 1ao7 n SER 55 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 1ao7 s PHE 56 N -2.12 0.05 0.52 0.66 -0.12 -1.26 -2.02 117.98 113.69 1ao7 s PHE 56 Ca 0.06 -0.44 0.09 0.00 -0.05 0.00 0.00 56.93 56.59 1ao7 s PHE 56 Cb 0.00 0.40 0.06 0.00 -0.63 0.00 0.00 43.02 42.85 1ao7 s PHE 56 CO 0.04 -1.04 0.68 -1.12 -0.05 0.00 0.00 175.22 173.74 1ao7 s SER 57 N -2.94 5.22 0.56 1.98 0.01 0.63 -4.94 113.70 114.22 1ao7 s SER 57 Ca 0.15 -0.75 0.32 0.00 1.31 0.00 0.00 55.95 56.98 1ao7 s SER 57 Cb -0.02 -0.00 1.46 0.00 0.21 0.00 0.00 66.02 67.67 1ao7 s SER 57 CO 0.05 -1.13 1.80 0.11 0.41 0.00 0.00 173.24 174.48 1ao7 h LYS 58 N 0.39 0.00 -0.68 12.44 1.57 -2.03 0.51 116.57 128.76 1ao7 h LYS 58 Ca -0.34 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.37 1ao7 h LYS 58 Cb 1.29 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.55 1ao7 h LYS 58 CO 0.44 0.00 0.09 -0.40 -0.57 0.00 0.00 179.45 179.01 1ao7 n ASP 59 N -3.96 5.00 0.00 0.86 5.75 -1.26 -4.92 116.55 118.02 1ao7 n ASP 59 Ca 0.19 -2.92 0.00 0.00 -0.01 0.00 0.00 54.79 52.05 1ao7 n ASP 59 Cb 1.05 -0.69 0.00 0.00 -1.03 0.00 0.00 41.12 40.45 1ao7 n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1ao7 n TRP 60 N 0.33 0.00 -2.55 2.11 7.02 0.18 -4.97 117.44 119.56 1ao7 n TRP 60 Ca 0.29 0.00 -0.37 0.00 -1.02 0.00 0.00 57.50 56.40 1ao7 n TRP 60 Cb 1.17 -0.83 -0.04 0.00 -2.42 0.00 0.00 31.31 29.18 1ao7 n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1ao7 s SER 61 N -2.49 6.87 0.42 -0.99 1.04 -1.26 -4.67 113.70 112.63 1ao7 s SER 61 Ca 0.00 2.06 -0.08 0.00 0.48 0.00 0.00 55.95 58.42 1ao7 s SER 61 Cb 0.00 -2.59 -0.05 0.00 0.10 0.00 0.00 66.02 63.48 1ao7 s SER 61 CO 0.00 -0.41 0.75 -0.36 0.98 0.00 0.00 173.24 174.19 1ao7 s PHE 62 N -1.58 3.51 0.02 5.02 0.08 -0.38 -0.27 117.98 124.39 1ao7 s PHE 62 Ca 0.55 0.90 0.01 0.00 0.12 0.00 0.00 56.93 58.51 1ao7 s PHE 62 Cb -0.23 -2.34 -0.02 0.00 -0.57 0.00 0.00 43.02 39.86 1ao7 s PHE 62 CO 0.29 -0.14 -0.04 1.52 -0.10 0.00 0.00 175.22 176.76 1ao7 s TYR 63 N -2.48 0.37 -0.06 0.36 -0.85 -0.86 -0.62 117.35 113.21 1ao7 s TYR 63 Ca 0.49 -0.46 -0.17 0.00 -0.52 0.00 0.00 57.07 56.40 1ao7 s TYR 63 Cb -0.10 -0.24 0.03 0.00 0.38 0.00 0.00 41.96 42.03 1ao7 s TYR 63 CO 0.36 -0.14 0.39 -1.17 -1.52 0.00 0.00 175.55 173.48 1ao7 s LEU 64 N -1.33 0.51 -0.02 -3.49 2.96 -0.09 -3.30 118.68 113.92 1ao7 s LEU 64 Ca -0.12 0.40 0.07 0.00 -0.22 0.00 0.00 54.13 54.25 1ao7 s LEU 64 Cb -0.09 1.50 -0.02 0.00 0.50 0.00 0.00 46.19 48.08 1ao7 s LEU 64 CO -0.00 -0.38 -0.22 -0.22 -1.32 0.00 0.00 176.35 174.20 1ao7 s LEU 65 N -0.86 2.04 0.04 -0.68 2.96 -1.26 -1.88 118.68 119.04 1ao7 s LEU 65 Ca -0.09 -0.40 0.06 0.00 -0.22 0.00 0.00 54.13 53.47 1ao7 s LEU 65 Cb -0.04 -1.15 -0.02 0.00 0.50 0.00 0.00 46.19 45.48 1ao7 s LEU 65 CO 0.04 0.27 -0.17 -0.31 -1.32 0.00 0.00 176.35 174.86 1ao7 s TYR 66 N -0.50 1.47 0.15 5.38 1.51 -0.95 -1.37 117.35 123.05 1ao7 s TYR 66 Ca 0.08 -0.36 -0.21 0.00 -1.01 0.00 0.00 57.07 55.57 1ao7 s TYR 66 Cb -0.09 -0.87 0.06 0.00 -0.11 0.00 0.00 41.96 40.95 1ao7 s TYR 66 CO -0.01 0.06 0.54 0.00 -1.11 0.00 0.00 175.55 175.04 1ao7 s THR 68 N -3.75 -0.02 0.36 0.00 -1.32 -0.71 -1.38 115.64 108.83 1ao7 s THR 68 Ca 0.01 0.07 -0.27 0.00 -1.21 0.00 0.00 61.69 60.29 1ao7 s THR 68 Cb -0.00 -0.55 -0.09 0.00 -1.51 0.00 0.00 72.50 70.34 1ao7 s THR 68 CO -0.13 0.03 1.24 -1.83 -2.21 0.00 0.00 174.62 171.72 1ao7 s GLU 69 N 0.95 4.23 0.08 7.08 1.03 -1.26 -0.40 118.70 130.42 1ao7 s GLU 69 Ca -0.06 2.05 -0.26 0.00 0.03 0.00 0.00 54.97 56.73 1ao7 s GLU 69 Cb -0.07 -2.92 0.07 0.00 -0.80 0.00 0.00 34.13 30.42 1ao7 s GLU 69 CO -0.07 -0.23 0.66 -0.59 -1.33 0.00 0.00 175.26 173.69 1ao7 s PHE 70 N -1.24 -0.55 -0.33 4.83 -0.71 0.13 -4.87 117.98 115.25 1ao7 s PHE 70 Ca 0.52 0.53 -0.02 0.00 -1.04 0.00 0.00 56.93 56.93 1ao7 s PHE 70 Cb -0.36 0.52 0.07 0.00 -1.21 0.00 0.00 43.02 42.03 1ao7 s PHE 70 CO 0.47 -0.75 0.05 0.99 -1.34 0.00 0.00 175.22 174.64 1ao7 s THR 71 N -2.97 3.02 0.56 -4.49 2.01 -1.26 0.45 115.64 112.97 1ao7 s THR 71 Ca -0.02 -1.59 -0.19 0.00 0.31 0.00 0.00 61.69 60.21 1ao7 s THR 71 Cb -0.01 -2.84 -0.05 0.00 0.01 0.00 0.00 72.50 69.61 1ao7 s THR 71 CO -0.06 -0.27 1.12 -2.16 -0.69 0.00 0.00 174.62 172.56 1ao7 s PRO 72 N 1.21 3.28 0.32 4.92 0.04 -1.25 -4.77 135.00 138.75 1ao7 s PRO 72 Ca -0.01 1.55 0.04 0.00 0.04 0.00 0.00 61.00 62.62 1ao7 s PRO 72 Cb -0.20 -2.00 -0.04 0.00 0.04 0.00 0.00 34.50 32.30 1ao7 s PRO 72 CO -0.02 -0.89 0.17 0.95 0.04 0.00 0.00 177.00 177.24 1ao7 s THR 73 N -1.89 0.35 0.11 1.26 -4.23 -1.26 -0.90 115.64 109.07 1ao7 s THR 73 Ca 0.71 -2.00 0.15 0.00 -1.18 0.00 0.00 61.69 59.37 1ao7 s THR 73 Cb -0.23 -2.49 0.04 0.00 1.34 0.00 0.00 72.50 71.16 1ao7 s THR 73 CO 0.29 0.00 1.58 -0.33 -0.54 0.00 0.00 174.62 175.62 1ao7 h GLU 74 N 2.14 0.00 0.00 3.99 4.39 -1.99 -3.33 114.58 119.78 1ao7 h GLU 74 Ca -0.33 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.37 1ao7 h GLU 74 Cb 1.25 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.90 1ao7 h GLU 74 CO 0.51 0.54 -1.13 0.36 -1.16 0.00 0.00 179.01 178.13 1ao7 n LYS 75 N -3.49 1.11 -2.67 2.33 2.85 -1.26 -4.99 118.16 112.04 1ao7 n LYS 75 Ca 0.00 -0.05 -0.41 0.00 -1.05 0.00 0.00 58.31 56.80 1ao7 n LYS 75 Cb 0.64 -1.34 -0.04 0.00 -0.65 0.00 0.00 35.03 33.63 1ao7 n LYS 75 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1ao7 s ASP 76 N -3.07 7.45 -0.16 -5.58 1.01 -1.25 -5.05 116.67 110.01 1ao7 s ASP 76 Ca 0.02 1.91 -0.03 0.00 0.71 0.00 0.00 52.55 55.16 1ao7 s ASP 76 Cb 0.12 -2.60 -0.02 0.00 1.01 0.00 0.00 42.92 41.44 1ao7 s ASP 76 CO 0.71 -0.08 -0.06 -1.61 0.21 0.00 0.00 175.17 174.34 1ao7 s GLU 77 N -0.28 3.53 0.02 8.23 2.02 -1.26 -4.79 118.70 126.17 1ao7 s GLU 77 Ca 0.47 -0.59 0.07 0.00 0.02 0.00 0.00 54.97 54.95 1ao7 s GLU 77 Cb -0.26 -2.86 -0.02 0.00 0.10 0.00 0.00 34.13 31.09 1ao7 s GLU 77 CO 0.32 0.14 -0.22 0.71 0.02 0.00 0.00 175.26 176.23 1ao7 s TYR 78 N 0.60 1.95 0.33 1.61 2.02 -1.26 0.63 117.35 123.24 1ao7 s TYR 78 Ca -0.04 -0.38 -0.08 0.00 -0.37 0.00 0.00 57.07 56.20 1ao7 s TYR 78 Cb -0.15 -1.21 0.01 0.00 -0.40 0.00 0.00 41.96 40.22 1ao7 s TYR 78 CO 0.03 0.04 0.55 0.00 -1.57 0.00 0.00 175.55 174.60 1ao7 s ALA 79 N -0.67 0.18 0.10 3.71 0.00 -0.42 0.25 121.76 124.92 1ao7 s ALA 79 Ca 0.09 -1.19 0.09 0.00 0.00 0.00 0.00 51.96 50.95 1ao7 s ALA 79 Cb -0.09 1.02 -0.04 0.00 0.00 0.00 0.00 23.12 24.02 1ao7 s ALA 79 CO 0.01 -0.85 -0.24 0.00 0.00 0.00 0.00 175.76 174.67 1ao7 s ARG 81 N -1.85 1.27 -0.05 0.00 3.52 0.78 -1.66 118.95 120.96 1ao7 s ARG 81 Ca 0.10 -0.25 0.06 0.00 -0.13 0.00 0.00 55.73 55.51 1ao7 s ARG 81 Cb -0.10 -1.58 -0.02 0.00 -1.56 0.00 0.00 34.95 31.69 1ao7 s ARG 81 CO 0.05 -0.33 -0.21 0.08 -0.81 0.00 0.00 175.30 174.07 1ao7 s VAL 82 N 1.75 2.42 -0.07 7.11 1.01 -0.69 -0.71 120.40 131.23 1ao7 s VAL 82 Ca 0.04 -0.95 0.01 0.00 0.00 0.00 0.00 61.98 61.08 1ao7 s VAL 82 Cb -0.13 -1.90 0.02 0.00 0.00 0.00 0.00 36.38 34.37 1ao7 s VAL 82 CO -0.07 0.58 -0.09 0.21 0.00 0.00 0.00 175.10 175.73 1ao7 s ASN 83 N -0.45 1.66 0.01 3.32 3.04 0.79 -1.23 114.94 122.08 1ao7 s ASN 83 Ca 0.05 -0.25 -0.14 0.00 0.04 0.00 0.00 52.86 52.56 1ao7 s ASN 83 Cb -0.12 -0.72 0.02 0.00 -1.54 0.00 0.00 41.25 38.90 1ao7 s ASN 83 CO 0.01 -0.04 0.31 -2.28 -3.04 0.00 0.00 177.10 172.07 1ao7 s HIS 84 N 1.04 -0.15 0.35 0.43 2.46 -1.26 -0.73 115.29 117.44 1ao7 s HIS 84 Ca -0.08 0.14 0.27 0.00 0.47 0.00 0.00 55.06 55.86 1ao7 s HIS 84 Cb -0.14 0.10 1.50 0.00 -0.13 0.00 0.00 32.58 33.90 1ao7 s HIS 84 CO -0.01 -0.44 1.82 -0.39 -2.47 0.00 0.00 174.74 173.25 1ao7 h VAL 85 N 3.57 0.00 -0.00 0.89 -1.51 -1.95 0.20 116.25 117.44 1ao7 h VAL 85 Ca -0.31 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.16 1ao7 h VAL 85 Cb 1.19 0.61 0.00 0.00 -2.13 0.00 0.00 31.29 30.96 1ao7 h VAL 85 CO 0.43 0.00 -0.21 0.35 -1.23 0.00 0.00 177.57 176.91 1ao7 n THR 86 N -2.61 0.00 -3.58 7.19 -2.24 -1.26 -4.73 114.28 107.05 1ao7 n THR 86 Ca -0.02 -0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.36 1ao7 n THR 86 Cb 0.24 -0.18 -0.11 0.00 -2.10 0.00 0.00 70.33 68.17 1ao7 n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1ao7 s LEU 87 N -2.99 4.39 0.59 3.22 1.43 0.71 -4.95 118.68 121.08 1ao7 s LEU 87 Ca 0.13 -0.52 0.29 0.00 -1.03 0.00 0.00 54.13 53.01 1ao7 s LEU 87 Cb 0.18 -2.08 1.71 0.00 0.03 0.00 0.00 46.19 46.04 1ao7 s LEU 87 CO 0.60 -0.24 2.15 0.77 0.23 0.00 0.00 176.35 179.86 1ao7 h SER 88 N 8.44 0.00 -4.79 2.29 4.64 -1.85 -3.43 113.55 118.85 1ao7 h SER 88 Ca -0.31 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 60.92 1ao7 h SER 88 Cb 1.15 0.00 -0.20 0.00 -0.31 0.00 0.00 62.40 63.04 1ao7 h SER 88 CO 0.63 0.00 -0.03 -1.58 -0.87 0.00 0.00 176.83 174.98 1ao7 s GLN 89 N -4.63 0.84 0.15 4.77 2.00 -1.26 -5.13 119.66 116.39 1ao7 s GLN 89 Ca -0.05 0.19 -0.33 0.00 -2.00 0.00 0.00 55.36 53.17 1ao7 s GLN 89 Cb 0.15 0.39 -0.17 0.00 0.80 0.00 0.00 33.01 34.18 1ao7 s GLN 89 CO 0.54 -0.23 1.03 -2.30 -0.50 0.00 0.00 175.29 173.83 1ao7 n PRO 90 N 1.40 0.74 -3.61 1.67 -0.02 -1.26 -4.93 135.00 128.99 1ao7 n PRO 90 Ca -0.19 0.26 -0.38 0.00 -2.02 0.00 0.00 63.50 61.17 1ao7 n PRO 90 Cb 0.56 -1.67 -0.11 0.00 -0.02 0.00 0.00 33.50 32.26 1ao7 n PRO 90 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ao7 s ILE 92 N 1.71 4.23 -0.26 0.00 1.01 -1.26 -1.70 121.20 124.93 1ao7 s ILE 92 Ca 0.06 -0.22 -0.00 0.00 0.00 0.00 0.00 60.65 60.49 1ao7 s ILE 92 Cb -0.16 -2.92 0.04 0.00 0.01 0.00 0.00 42.46 39.43 1ao7 s ILE 92 CO 0.09 0.43 -0.08 -0.69 0.00 0.00 0.00 174.94 174.69 1ao7 s VAL 93 N 0.88 2.63 0.54 2.92 1.01 -0.67 -4.95 120.40 122.76 1ao7 s VAL 93 Ca 0.02 -1.26 -0.19 0.00 0.00 0.00 0.00 61.98 60.55 1ao7 s VAL 93 Cb -0.14 -2.41 -0.06 0.00 0.00 0.00 0.00 36.38 33.77 1ao7 s VAL 93 CO 0.02 0.11 1.11 -0.54 0.00 0.00 0.00 175.10 175.79 1ao7 s LYS 94 N 1.25 3.40 -0.00 2.72 1.02 -1.26 -1.36 119.74 125.51 1ao7 s LYS 94 Ca -0.03 1.53 -0.27 0.00 0.02 0.00 0.00 55.97 57.22 1ao7 s LYS 94 Cb -0.18 -2.02 -0.04 0.00 -0.52 0.00 0.00 37.83 35.07 1ao7 s LYS 94 CO -0.05 -0.79 0.85 -0.46 -0.92 0.00 0.00 175.35 173.99 1ao7 s TRP 95 N -1.89 3.66 -0.22 3.18 -0.00 0.14 -4.86 118.94 118.96 1ao7 s TRP 95 Ca 0.71 1.53 0.02 0.00 -0.00 0.00 0.00 56.10 58.36 1ao7 s TRP 95 Cb -0.22 -2.96 0.04 0.00 -0.00 0.00 0.00 33.47 30.33 1ao7 s TRP 95 CO 0.27 0.09 -0.13 0.34 -0.00 0.00 0.00 176.95 177.52 1ao7 s ASP 96 N 0.66 3.74 0.00 5.86 2.15 -1.26 -4.81 116.67 123.01 1ao7 s ASP 96 Ca 0.45 -1.03 0.00 0.00 0.43 0.00 0.00 52.55 52.40 1ao7 s ASP 96 Cb -0.20 -1.41 0.00 0.00 -0.30 0.00 0.00 42.92 41.01 1ao7 s ASP 96 CO 0.24 -0.13 0.64 -2.11 -0.17 0.00 0.00 175.17 173.64 1ao7 n ARG 97 N 4.57 0.00 0.10 4.34 1.85 -1.26 -1.25 116.66 125.02 1ao7 n ARG 97 Ca -0.16 0.18 -0.19 0.00 -1.00 0.00 0.00 57.85 56.68 1ao7 n ARG 97 Cb 0.46 -1.53 -0.15 0.00 -1.05 0.00 0.00 32.46 30.19 1ao7 n ARG 97 CO 0.00 0.00 0.00 -0.44 -0.01 0.00 0.00 177.63 177.18 1ao7 h ASP 98 N 0.00 0.56 -0.02 2.89 3.32 -1.99 -3.44 116.42 117.73 1ao7 h ASP 98 Ca 0.00 -0.66 0.00 0.00 0.02 0.00 0.00 57.03 56.39 1ao7 h ASP 98 Cb 0.06 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.43 1ao7 h ASP 98 CO 0.00 1.53 0.00 0.23 -1.72 0.00 0.00 179.24 179.28