#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rq9 s ASN 2 N 0.00 0.22 0.14 6.12 -0.87 -1.26 -5.13 114.94 114.15 2rq9 s ASN 2 Ca 0.00 -1.71 -0.33 0.00 -1.57 0.00 0.00 52.86 49.25 2rq9 s ASN 2 Cb 0.00 0.92 -0.18 0.00 -0.02 0.00 0.00 41.25 41.97 2rq9 s ASN 2 CO 0.00 -0.19 0.84 0.00 -2.57 0.00 0.00 177.10 175.18 2rq9 n TYR 3 N 3.79 0.29 -3.15 2.20 0.18 -1.26 -4.95 117.16 114.26 2rq9 n TYR 3 Ca 0.15 0.93 0.05 0.00 1.88 0.00 0.00 57.90 60.92 2rq9 n TYR 3 Cb 0.50 -2.07 -0.01 0.00 -0.38 0.00 0.00 39.34 37.37 2rq9 n TYR 3 CO 0.00 0.00 0.00 0.15 -2.08 0.00 0.00 176.86 174.93 2rq9 s LYS 4 N -0.60 0.18 -0.37 -3.48 1.02 -1.26 -5.11 119.74 110.12 2rq9 s LYS 4 Ca 0.74 0.27 -0.03 0.00 0.02 0.00 0.00 55.97 56.96 2rq9 s LYS 4 Cb -1.01 0.14 0.19 0.00 -0.52 0.00 0.00 37.83 36.64 2rq9 s LYS 4 CO 0.56 -0.25 0.95 0.21 -0.92 0.00 0.00 175.35 175.90 2rq9 s LYS 5 N 2.95 0.42 0.69 1.68 2.20 -1.26 -4.88 119.74 121.55 2rq9 s LYS 5 Ca 0.09 -0.28 -0.11 0.00 -0.36 0.00 0.00 55.97 55.30 2rq9 s LYS 5 Cb -0.07 0.01 0.01 0.00 -1.51 0.00 0.00 37.83 36.27 2rq9 s LYS 5 CO -0.15 -0.57 1.06 -1.25 -0.36 0.00 0.00 175.35 174.08 2rq9 s PRO 6 N 1.49 2.95 0.14 4.03 0.04 -1.26 -4.41 135.00 137.98 2rq9 s PRO 6 Ca 0.20 0.97 -0.06 0.00 0.04 0.00 0.00 61.00 62.14 2rq9 s PRO 6 Cb 0.04 -1.99 -0.02 0.00 0.04 0.00 0.00 34.50 32.58 2rq9 s PRO 6 CO -0.11 -1.09 0.20 0.15 0.04 0.00 0.00 177.00 176.19 2rq9 s LYS 7 N -5.00 1.02 -0.09 4.56 3.01 0.79 -2.95 119.74 121.09 2rq9 s LYS 7 Ca 0.58 -1.21 -0.04 0.00 -1.01 0.00 0.00 55.97 54.29 2rq9 s LYS 7 Cb -0.14 0.33 -0.04 0.00 -1.01 0.00 0.00 37.83 36.97 2rq9 s LYS 7 CO 0.54 -0.34 0.07 -0.51 0.51 0.00 0.00 175.35 175.62 2rq9 s LEU 8 N -2.97 3.99 -0.54 3.17 2.01 0.89 -3.50 118.68 121.74 2rq9 s LEU 8 Ca 0.17 0.29 -0.20 0.00 0.01 0.00 0.00 54.13 54.40 2rq9 s LEU 8 Cb 0.05 -1.99 0.06 0.00 0.01 0.00 0.00 46.19 44.32 2rq9 s LEU 8 CO -0.02 0.38 0.72 -0.76 1.01 0.00 0.00 176.35 177.68 2rq9 s LEU 9 N -1.05 4.84 0.42 1.79 2.01 -1.26 0.03 118.68 125.45 2rq9 s LEU 9 Ca 0.15 -0.90 -0.22 0.00 0.01 0.00 0.00 54.13 53.17 2rq9 s LEU 9 Cb -0.12 -2.49 -0.10 0.00 0.01 0.00 0.00 46.19 43.49 2rq9 s LEU 9 CO 0.05 -1.02 0.97 -0.47 1.01 0.00 0.00 176.35 176.88 2rq9 s TYR 10 N 2.97 3.32 -0.48 0.29 5.04 -0.40 -3.28 117.35 124.80 2rq9 s TYR 10 Ca 0.18 1.64 0.05 0.00 -2.44 0.00 0.00 57.07 56.50 2rq9 s TYR 10 Cb -0.19 -2.92 0.20 0.00 0.35 0.00 0.00 41.96 39.41 2rq9 s TYR 10 CO 0.12 -0.22 0.46 0.00 -1.34 0.00 0.00 175.55 174.58 2rq9 n SER 12 N 2.08 0.09 -0.27 0.00 2.88 -1.26 0.20 113.62 117.34 2rq9 n SER 12 Ca 0.26 1.01 0.02 0.00 -1.33 0.00 0.00 58.87 58.83 2rq9 n SER 12 Cb 0.46 -0.50 0.09 0.00 -0.75 0.00 0.00 64.21 63.51 2rq9 n SER 12 CO 0.00 0.00 0.00 -1.13 -1.23 0.00 0.00 175.04 172.68 2rq9 h ASN 13 N 0.00 -0.75 0.00 -3.46 -1.24 -1.75 -3.32 115.58 105.06 2rq9 h ASN 13 Ca 0.78 0.24 0.00 0.00 0.71 0.00 0.00 56.30 58.03 2rq9 h ASN 13 Cb 2.85 0.49 0.00 0.00 0.73 0.00 0.00 38.32 42.39 2rq9 h ASN 13 CO -0.20 -0.26 -0.82 0.61 -1.29 0.00 0.00 177.43 175.47 2rq9 n GLY 14 N -1.51 0.00 0.42 1.57 0.00 0.37 -4.90 105.19 101.14 2rq9 n GLY 14 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 2rq9 n GLY 14 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2rq9 n GLY 15 N 2.95 0.45 3.49 -0.02 0.00 0.55 -5.03 105.19 107.58 2rq9 n GLY 15 Ca 0.00 -0.56 -0.10 0.00 0.00 0.00 0.00 46.02 45.36 2rq9 n GLY 15 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2rq9 s HIS 16 N -1.68 -0.04 -0.03 1.61 3.76 -1.26 -4.59 115.29 113.06 2rq9 s HIS 16 Ca 0.00 -0.31 0.01 0.00 -0.15 0.00 0.00 55.06 54.61 2rq9 s HIS 16 Cb 0.00 0.32 -0.03 0.00 1.11 0.00 0.00 32.58 33.98 2rq9 s HIS 16 CO 0.00 -0.89 -0.00 -0.06 -0.85 0.00 0.00 174.74 172.94 2rq9 s PHE 17 N -3.89 3.09 -0.14 1.40 0.08 0.33 -2.88 117.98 115.98 2rq9 s PHE 17 Ca 0.10 0.11 -0.29 0.00 0.12 0.00 0.00 56.93 56.97 2rq9 s PHE 17 Cb -0.00 -1.70 -0.01 0.00 -0.57 0.00 0.00 43.02 40.73 2rq9 s PHE 17 CO -0.02 0.46 1.15 -1.17 -0.10 0.00 0.00 175.22 175.53 2rq9 s LEU 18 N -1.34 4.20 0.16 -0.37 2.96 -1.21 -1.14 118.68 121.95 2rq9 s LEU 18 Ca 0.18 1.63 0.09 0.00 -0.22 0.00 0.00 54.13 55.81 2rq9 s LEU 18 Cb -0.11 -3.55 -0.04 0.00 0.50 0.00 0.00 46.19 42.99 2rq9 s LEU 18 CO 0.08 -0.63 -0.20 0.00 -1.32 0.00 0.00 176.35 174.27 2rq9 s ARG 19 N 2.79 1.31 -0.20 1.98 1.70 -0.80 -4.70 118.95 121.04 2rq9 s ARG 19 Ca 0.52 -1.40 0.01 0.00 -0.47 0.00 0.00 55.73 54.39 2rq9 s ARG 19 Cb -0.21 -1.47 0.04 0.00 -0.57 0.00 0.00 34.95 32.75 2rq9 s ARG 19 CO 0.15 0.31 -0.10 0.42 -1.08 0.00 0.00 175.30 175.00 2rq9 s ILE 20 N -1.81 1.62 0.62 4.99 1.01 -1.14 -2.69 121.20 123.80 2rq9 s ILE 20 Ca 0.15 -0.98 -0.14 0.00 0.00 0.00 0.00 60.65 59.68 2rq9 s ILE 20 Cb -0.07 -1.70 -0.02 0.00 0.01 0.00 0.00 42.46 40.68 2rq9 s ILE 20 CO 0.07 0.18 1.05 -0.76 0.00 0.00 0.00 174.94 175.48 2rq9 s LEU 21 N 1.41 3.36 0.00 2.97 1.43 0.13 -4.81 118.68 123.18 2rq9 s LEU 21 Ca -0.01 1.70 0.23 0.00 -1.03 0.00 0.00 54.13 55.03 2rq9 s LEU 21 Cb -0.16 -4.51 1.29 0.00 0.03 0.00 0.00 46.19 42.84 2rq9 s LEU 21 CO -0.08 -1.20 1.77 -0.81 0.23 0.00 0.00 176.35 176.25 2rq9 n PRO 22 N -2.42 0.54 0.03 1.29 -0.04 -1.26 -2.00 135.00 131.14 2rq9 n PRO 22 Ca 0.08 0.04 0.11 0.00 -0.04 0.00 0.00 63.50 63.69 2rq9 n PRO 22 Cb 0.53 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.51 2rq9 n PRO 22 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2rq9 n ASP 23 N -1.14 0.60 0.00 3.54 2.03 -1.26 -4.95 116.55 115.37 2rq9 n ASP 23 Ca 0.14 -0.17 0.00 0.00 0.52 0.00 0.00 54.79 55.28 2rq9 n ASP 23 Cb 0.13 0.81 0.00 0.00 -0.72 0.00 0.00 41.12 41.34 2rq9 n ASP 23 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2rq9 n GLY 24 N 1.35 0.99 3.36 0.27 0.00 -0.85 -5.06 105.19 105.26 2rq9 n GLY 24 Ca 0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 2rq9 n GLY 24 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2rq9 s THR 25 N -1.97 2.15 -0.13 2.61 2.01 -1.24 -4.47 115.64 114.60 2rq9 s THR 25 Ca 0.00 -1.59 -0.01 0.00 0.31 0.00 0.00 61.69 60.40 2rq9 s THR 25 Cb 0.00 -1.88 0.04 0.00 0.01 0.00 0.00 72.50 70.67 2rq9 s THR 25 CO 0.00 0.18 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.39 2rq9 s VAL 26 N -0.97 0.83 0.12 3.82 1.01 -1.26 0.22 120.40 124.18 2rq9 s VAL 26 Ca 0.12 -0.36 -0.10 0.00 0.00 0.00 0.00 61.98 61.65 2rq9 s VAL 26 Cb -0.10 -1.01 0.00 0.00 0.00 0.00 0.00 36.38 35.27 2rq9 s VAL 26 CO 0.04 0.17 0.26 1.51 0.00 0.00 0.00 175.10 177.08 2rq9 s ASP 27 N 1.77 0.04 0.52 3.32 1.47 -1.10 -4.26 116.67 118.43 2rq9 s ASP 27 Ca 0.03 -0.68 -0.10 0.00 1.18 0.00 0.00 52.55 52.97 2rq9 s ASP 27 Cb -0.14 0.40 -0.05 0.00 -0.34 0.00 0.00 42.92 42.78 2rq9 s ASP 27 CO -0.07 -0.81 0.91 -0.83 0.68 0.00 0.00 175.17 175.04 2rq9 s GLY 28 N -2.89 1.75 -0.25 2.12 0.00 0.49 -1.91 107.32 106.64 2rq9 s GLY 28 Ca 0.09 -0.17 -0.16 0.00 0.00 0.00 0.00 44.72 44.48 2rq9 s GLY 28 CO -0.07 0.06 0.62 -1.08 0.00 0.00 0.00 173.10 172.63 2rq9 s THR 29 N -2.80 -0.01 -0.71 0.90 -1.32 -0.29 -4.80 115.64 106.61 2rq9 s THR 29 Ca 0.53 0.02 0.00 0.00 -1.21 0.00 0.00 61.69 61.03 2rq9 s THR 29 Cb -0.10 -0.89 0.38 0.00 -1.51 0.00 0.00 72.50 70.38 2rq9 s THR 29 CO 0.43 0.01 1.77 -1.14 -2.21 0.00 0.00 174.62 173.48 2rq9 n ARG 30 N 3.94 2.94 -3.53 7.08 0.63 -1.26 -0.51 116.66 125.96 2rq9 n ARG 30 Ca -0.19 -3.76 -0.29 0.00 -0.92 0.00 0.00 57.85 52.69 2rq9 n ARG 30 Cb 0.57 -2.27 -0.14 0.00 0.45 0.00 0.00 32.46 31.07 2rq9 n ARG 30 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 2rq9 s ASP 31 N -1.86 3.43 0.35 6.15 2.15 -1.26 -4.99 116.67 120.64 2rq9 s ASP 31 Ca 0.52 -1.43 0.11 0.00 0.43 0.00 0.00 52.55 52.19 2rq9 s ASP 31 Cb 0.44 -0.35 0.89 0.00 -0.30 0.00 0.00 42.92 43.59 2rq9 s ASP 31 CO -0.30 -0.42 1.80 0.03 -0.17 0.00 0.00 175.17 176.11 2rq9 h ARG 32 N 8.19 0.60 -1.36 4.34 3.08 -2.04 0.70 114.38 127.89 2rq9 h ARG 32 Ca -0.16 -0.04 0.47 0.00 0.07 0.00 0.00 59.98 60.32 2rq9 h ARG 32 Cb 1.00 -0.13 -0.13 0.00 0.08 0.00 0.00 29.97 30.79 2rq9 h ARG 32 CO 0.41 0.40 0.88 0.45 -1.07 0.00 0.00 179.97 181.03 2rq9 n SER 33 N -4.67 0.20 -4.71 7.04 2.88 -1.26 -4.35 113.62 108.74 2rq9 n SER 33 Ca 0.22 1.34 -0.43 0.00 -1.33 0.00 0.00 58.87 58.68 2rq9 n SER 33 Cb 0.65 -0.66 -0.02 0.00 -0.75 0.00 0.00 64.21 63.43 2rq9 n SER 33 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2rq9 n ASP 34 N -4.64 3.32 -0.31 -3.46 -0.08 0.23 -4.88 116.55 106.74 2rq9 n ASP 34 Ca 0.39 1.15 0.07 0.00 -1.51 0.00 0.00 54.79 54.90 2rq9 n ASP 34 Cb 1.54 -1.52 -0.01 0.00 2.34 0.00 0.00 41.12 43.47 2rq9 n ASP 34 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2rq9 n GLN 35 N 1.88 1.80 0.00 -0.67 1.13 -1.26 -4.22 117.38 116.04 2rq9 n GLN 35 Ca 0.09 -0.70 0.14 0.00 -1.94 0.00 0.00 57.00 54.59 2rq9 n GLN 35 Cb 0.35 -1.23 0.55 0.00 0.11 0.00 0.00 30.24 30.01 2rq9 n GLN 35 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 2rq9 n HIS 36 N -0.26 0.00 0.05 1.08 8.25 -1.26 -3.42 115.22 119.65 2rq9 n HIS 36 Ca 0.06 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.58 2rq9 n HIS 36 Cb 0.31 -0.01 -0.07 0.00 1.12 0.00 0.00 29.99 31.34 2rq9 n HIS 36 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 2rq9 n ILE 37 N 0.06 0.72 -1.61 1.59 -5.35 -1.26 -2.89 119.36 110.62 2rq9 n ILE 37 Ca 0.19 -0.60 -0.14 0.00 -0.27 0.00 0.00 62.75 61.93 2rq9 n ILE 37 Cb 0.34 -0.40 -0.07 0.00 -1.74 0.00 0.00 39.64 37.77 2rq9 n ILE 37 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 2rq9 s GLN 38 N -3.21 1.65 0.01 6.28 -0.21 -1.22 -4.74 119.66 118.22 2rq9 s GLN 38 Ca -0.03 0.41 -0.04 0.00 0.02 0.00 0.00 55.36 55.71 2rq9 s GLN 38 Cb 0.10 -4.81 -0.04 0.00 1.00 0.00 0.00 33.01 29.26 2rq9 s GLN 38 CO 0.82 -4.41 0.23 -0.51 -2.12 0.00 0.00 175.29 169.30 2rq9 s LEU 39 N 14.54 4.36 -0.31 2.90 1.43 -1.23 -2.77 118.68 137.61 2rq9 s LEU 39 Ca 0.91 0.43 -0.09 0.00 -1.03 0.00 0.00 54.13 54.35 2rq9 s LEU 39 Cb -0.12 -2.71 0.00 0.00 0.03 0.00 0.00 46.19 43.39 2rq9 s LEU 39 CO 0.07 0.24 0.14 0.00 0.23 0.00 0.00 176.35 177.03 2rq9 s GLN 40 N -1.97 3.21 -0.05 1.70 -2.07 0.45 -0.15 119.66 120.78 2rq9 s GLN 40 Ca 0.29 -0.80 -0.15 0.00 -1.82 0.00 0.00 55.36 52.88 2rq9 s GLN 40 Cb -0.13 -3.52 -0.05 0.00 -1.09 0.00 0.00 33.01 28.22 2rq9 s GLN 40 CO 0.19 -0.45 0.40 -0.51 -1.32 0.00 0.00 175.29 173.60 2rq9 s LEU 41 N 1.57 4.40 0.08 2.60 1.02 -1.26 -2.40 118.68 124.69 2rq9 s LEU 41 Ca 0.04 0.86 0.00 0.00 0.02 0.00 0.00 54.13 55.05 2rq9 s LEU 41 Cb -0.17 -2.57 -0.04 0.00 0.02 0.00 0.00 46.19 43.42 2rq9 s LEU 41 CO 0.05 0.22 -0.05 -0.44 0.02 0.00 0.00 176.35 176.16 2rq9 s SER 42 N -0.48 0.83 -0.14 2.29 0.01 0.40 -4.91 113.70 111.69 2rq9 s SER 42 Ca 0.23 -1.01 0.02 0.00 1.31 0.00 0.00 55.95 56.51 2rq9 s SER 42 Cb -0.16 0.15 0.01 0.00 0.21 0.00 0.00 66.02 66.23 2rq9 s SER 42 CO 0.11 -0.53 -0.22 0.00 0.41 0.00 0.00 173.24 173.01 2rq9 s ALA 43 N -3.77 2.26 -0.27 1.44 0.00 -1.26 0.20 121.76 120.37 2rq9 s ALA 43 Ca 0.10 -1.11 -0.10 0.00 0.00 0.00 0.00 51.96 50.85 2rq9 s ALA 43 Cb 0.07 -1.02 -0.13 0.00 0.00 0.00 0.00 23.12 22.04 2rq9 s ALA 43 CO -0.07 -0.06 -0.32 -1.91 0.00 0.00 0.00 175.76 173.40 2rq9 n GLU 44 N 4.12 0.59 -4.40 0.00 2.13 -1.22 -4.98 120.64 116.87 2rq9 n GLU 44 Ca -0.20 0.23 -0.20 0.00 0.66 0.00 0.00 57.16 57.65 2rq9 n GLU 44 Cb 0.51 -1.47 -0.10 0.00 0.27 0.00 0.00 31.44 30.65 2rq9 n GLU 44 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 2rq9 s SER 45 N -7.19 2.33 -0.45 4.31 1.04 -1.26 -5.03 113.70 107.45 2rq9 s SER 45 Ca -0.37 -1.26 -0.27 0.00 0.48 0.00 0.00 55.95 54.52 2rq9 s SER 45 Cb 0.13 -0.08 -0.03 0.00 0.10 0.00 0.00 66.02 66.14 2rq9 s SER 45 CO 0.50 -0.49 1.92 0.54 0.98 0.00 0.00 173.24 176.69 2rq9 s VAL 46 N -3.24 3.35 0.00 5.02 0.11 -1.26 -0.71 120.40 123.67 2rq9 s VAL 46 Ca 0.32 0.30 0.00 0.00 -2.93 0.00 0.00 61.98 59.66 2rq9 s VAL 46 Cb 0.06 -3.65 0.00 0.00 -1.53 0.00 0.00 36.38 31.26 2rq9 s VAL 46 CO 0.12 -0.54 0.00 0.61 -3.33 0.00 0.00 175.10 171.96 2rq9 n GLY 47 N 5.61 0.81 3.35 6.54 0.00 -1.26 -5.08 105.19 115.16 2rq9 n GLY 47 Ca 0.24 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.95 2rq9 n GLY 47 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2rq9 s GLU 48 N -0.85 1.92 0.02 1.61 2.02 0.11 -2.58 118.70 120.95 2rq9 s GLU 48 Ca 0.00 -1.05 0.00 0.00 0.02 0.00 0.00 54.97 53.95 2rq9 s GLU 48 Cb 0.00 -2.02 -0.02 0.00 0.10 0.00 0.00 34.13 32.18 2rq9 s GLU 48 CO 0.00 0.53 -0.04 0.14 0.02 0.00 0.00 175.26 175.91 2rq9 s VAL 49 N -0.77 0.17 -0.09 2.63 -7.23 0.14 -3.38 120.40 111.87 2rq9 s VAL 49 Ca 0.12 -1.00 0.04 0.00 -1.81 0.00 0.00 61.98 59.33 2rq9 s VAL 49 Cb -0.10 -0.39 -0.01 0.00 0.56 0.00 0.00 36.38 36.44 2rq9 s VAL 49 CO 0.02 -0.53 -0.23 -0.31 -0.31 0.00 0.00 175.10 173.74 2rq9 s TYR 50 N -1.64 2.55 -0.22 2.82 2.02 0.54 -1.42 117.35 122.01 2rq9 s TYR 50 Ca -0.14 -0.84 -0.02 0.00 -0.37 0.00 0.00 57.07 55.71 2rq9 s TYR 50 Cb -0.09 -1.68 0.01 0.00 -0.40 0.00 0.00 41.96 39.80 2rq9 s TYR 50 CO -0.02 -0.30 -0.10 0.42 -1.57 0.00 0.00 175.55 173.99 2rq9 s ILE 51 N 0.12 2.78 0.06 2.71 1.01 -1.25 -0.46 121.20 126.18 2rq9 s ILE 51 Ca -0.11 -0.83 0.02 0.00 0.00 0.00 0.00 60.65 59.74 2rq9 s ILE 51 Cb -0.16 -2.30 -0.03 0.00 0.01 0.00 0.00 42.46 39.98 2rq9 s ILE 51 CO 0.06 0.38 -0.08 -0.54 0.00 0.00 0.00 174.94 174.76 2rq9 s LYS 52 N 1.36 0.66 0.02 2.79 3.01 -1.01 -0.96 119.74 125.61 2rq9 s LYS 52 Ca 0.03 -0.96 -0.26 0.00 -1.01 0.00 0.00 55.97 53.78 2rq9 s LYS 52 Cb -0.15 -0.33 -0.05 0.00 -1.01 0.00 0.00 37.83 36.30 2rq9 s LYS 52 CO -0.07 0.04 0.79 -1.12 0.51 0.00 0.00 175.35 175.51 2rq9 s SER 53 N -2.06 7.20 0.11 2.83 0.01 0.19 -0.41 113.70 121.57 2rq9 s SER 53 Ca -0.02 1.44 0.13 0.00 1.31 0.00 0.00 55.95 58.81 2rq9 s SER 53 Cb -0.05 -2.48 -0.12 0.00 0.21 0.00 0.00 66.02 63.58 2rq9 s SER 53 CO -0.01 -0.05 1.07 0.71 0.41 0.00 0.00 173.24 175.37 2rq9 h THR 54 N 4.34 0.98 0.00 1.44 1.35 -1.83 -2.74 112.91 116.45 2rq9 h THR 54 Ca -0.43 -2.56 0.00 0.00 -0.55 0.00 0.00 66.41 62.87 2rq9 h THR 54 Cb 1.21 2.42 0.00 0.00 -1.73 0.00 0.00 68.15 70.05 2rq9 h THR 54 CO 0.72 0.56 0.00 1.21 -0.25 0.00 0.00 175.52 177.76 2rq9 n GLU 55 N -3.13 0.00 0.16 4.72 4.07 -1.26 -4.54 120.64 120.67 2rq9 n GLU 55 Ca -0.06 0.04 -0.14 0.00 -0.06 0.00 0.00 57.16 56.94 2rq9 n GLU 55 Cb 0.88 -0.62 -0.08 0.00 -0.06 0.00 0.00 31.44 31.56 2rq9 n GLU 55 CO 0.00 0.00 0.00 1.79 -0.06 0.00 0.00 177.13 178.86 2rq9 h THR 56 N 0.00 0.75 0.00 6.31 1.35 -1.87 -3.47 112.91 115.98 2rq9 h THR 56 Ca 0.00 -0.30 0.00 0.00 -0.55 0.00 0.00 66.41 65.56 2rq9 h THR 56 Cb 0.00 0.92 0.00 0.00 -1.73 0.00 0.00 68.15 67.34 2rq9 h THR 56 CO 0.00 0.06 0.00 0.61 -0.25 0.00 0.00 175.52 175.94 2rq9 n GLY 57 N -0.82 2.15 3.40 5.82 0.00 -1.03 -5.06 105.19 109.66 2rq9 n GLY 57 Ca -0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.60 2rq9 n GLY 57 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2rq9 n GLN 58 N 0.00 -0.68 -4.79 1.61 6.02 -1.26 -4.22 117.38 114.06 2rq9 n GLN 58 Ca 0.00 -0.16 -0.32 0.00 -0.01 0.00 0.00 57.00 56.50 2rq9 n GLN 58 Cb 0.00 -1.87 -0.13 0.00 1.02 0.00 0.00 30.24 29.26 2rq9 n GLN 58 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 2rq9 s TYR 59 N -2.38 2.72 -0.36 1.08 2.02 -1.18 0.57 117.35 119.82 2rq9 s TYR 59 Ca 0.58 -0.15 -0.29 0.00 -0.37 0.00 0.00 57.07 56.84 2rq9 s TYR 59 Cb -0.19 -1.61 0.01 0.00 -0.40 0.00 0.00 41.96 39.77 2rq9 s TYR 59 CO 0.66 0.23 1.27 -1.17 -1.57 0.00 0.00 175.55 174.97 2rq9 s LEU 60 N -0.91 3.77 0.02 -1.29 2.96 -0.14 -1.55 118.68 121.53 2rq9 s LEU 60 Ca 0.13 0.95 -0.00 0.00 -0.22 0.00 0.00 54.13 54.99 2rq9 s LEU 60 Cb -0.11 -3.54 -0.02 0.00 0.50 0.00 0.00 46.19 43.03 2rq9 s LEU 60 CO 0.02 -1.18 -0.02 0.00 -1.32 0.00 0.00 176.35 173.85 2rq9 s ALA 61 N 4.57 0.09 -0.28 5.97 0.00 -0.79 -4.29 121.76 127.04 2rq9 s ALA 61 Ca 0.55 -0.48 -0.07 0.00 0.00 0.00 0.00 51.96 51.96 2rq9 s ALA 61 Cb -0.14 0.12 -0.01 0.00 0.00 0.00 0.00 23.12 23.10 2rq9 s ALA 61 CO 0.26 -0.13 0.09 1.41 0.00 0.00 0.00 175.76 177.39 2rq9 s MET 62 N -1.20 3.37 0.00 0.00 1.75 -1.26 -0.76 119.30 121.20 2rq9 s MET 62 Ca -0.13 -0.68 0.00 0.00 -1.25 0.00 0.00 55.69 53.63 2rq9 s MET 62 Cb -0.08 -3.38 0.00 0.00 2.84 0.00 0.00 34.83 34.21 2rq9 s MET 62 CO -0.01 -0.33 0.00 -3.47 -0.65 0.00 0.00 175.02 170.56 2rq9 n ASP 63 N 4.91 0.00 0.03 1.11 -0.08 -0.82 -4.91 116.55 116.80 2rq9 n ASP 63 Ca -0.15 0.00 -0.04 0.00 -1.51 0.00 0.00 54.79 53.08 2rq9 n ASP 63 Cb 0.50 0.00 -0.10 0.00 2.34 0.00 0.00 41.12 43.86 2rq9 n ASP 63 CO 0.00 0.00 0.00 0.71 0.12 0.00 0.00 177.20 178.03 2rq9 h THR 64 N -0.49 0.97 0.00 5.18 1.35 -1.99 -3.24 112.91 114.69 2rq9 h THR 64 Ca 0.00 -2.63 0.00 0.00 -0.55 0.00 0.00 66.41 63.23 2rq9 h THR 64 Cb 0.00 2.43 0.00 0.00 -1.73 0.00 0.00 68.15 68.85 2rq9 h THR 64 CO 0.00 0.56 0.00 0.47 -0.25 0.00 0.00 175.52 176.30 2rq9 n ASP 65 N -3.11 0.32 0.00 5.36 8.00 -1.26 -4.78 116.55 121.08 2rq9 n ASP 65 Ca -0.08 0.63 0.00 0.00 0.71 0.00 0.00 54.79 56.05 2rq9 n ASP 65 Cb 0.93 -0.68 0.00 0.00 -0.02 0.00 0.00 41.12 41.35 2rq9 n ASP 65 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2rq9 n GLY 66 N -1.04 0.69 4.00 0.44 0.00 -1.23 -4.64 105.19 103.42 2rq9 n GLY 66 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 2rq9 n GLY 66 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2rq9 s LEU 67 N 0.00 3.41 -0.09 0.99 1.02 -1.26 0.15 118.68 122.90 2rq9 s LEU 67 Ca 0.00 -0.31 -0.00 0.00 0.02 0.00 0.00 54.13 53.84 2rq9 s LEU 67 Cb 0.00 -2.58 -0.03 0.00 0.02 0.00 0.00 46.19 43.61 2rq9 s LEU 67 CO 0.00 -1.05 -0.06 -0.76 0.02 0.00 0.00 176.35 174.50 2rq9 s LEU 68 N -4.59 3.18 0.18 1.79 1.43 -1.26 -1.94 118.68 117.47 2rq9 s LEU 68 Ca 0.57 -0.04 -0.09 0.00 -1.03 0.00 0.00 54.13 53.54 2rq9 s LEU 68 Cb -0.09 -1.71 -0.01 0.00 0.03 0.00 0.00 46.19 44.41 2rq9 s LEU 68 CO 0.36 0.32 0.30 -0.72 0.23 0.00 0.00 176.35 176.85 2rq9 s TYR 69 N -0.56 0.45 -0.23 0.29 -0.85 0.06 -4.13 117.35 112.37 2rq9 s TYR 69 Ca 0.09 -0.81 -0.18 0.00 -0.52 0.00 0.00 57.07 55.65 2rq9 s TYR 69 Cb -0.12 -0.06 -0.03 0.00 0.38 0.00 0.00 41.96 42.13 2rq9 s TYR 69 CO 0.02 -0.75 0.51 0.20 -1.52 0.00 0.00 175.55 174.00 2rq9 s GLY 70 N -2.99 1.95 0.09 5.49 0.00 -1.25 -1.88 107.32 108.73 2rq9 s GLY 70 Ca 0.20 -0.52 -0.21 0.00 0.00 0.00 0.00 44.72 44.19 2rq9 s GLY 70 CO 0.02 1.14 0.62 -0.45 0.00 0.00 0.00 173.10 174.43 2rq9 s SER 71 N 1.35 7.14 0.23 1.64 0.15 -0.60 -4.78 113.70 118.83 2rq9 s SER 71 Ca 0.22 1.35 0.02 0.00 0.70 0.00 0.00 55.95 58.25 2rq9 s SER 71 Cb -0.15 -2.39 0.22 0.00 -1.71 0.00 0.00 66.02 61.99 2rq9 s SER 71 CO 0.09 0.25 1.55 -0.61 1.20 0.00 0.00 173.24 175.73 2rq9 h GLN 72 N 4.52 0.33 -5.68 5.44 4.15 -1.97 -3.11 115.11 118.79 2rq9 h GLN 72 Ca -0.49 -0.21 -0.48 0.00 0.77 0.00 0.00 58.65 58.23 2rq9 h GLN 72 Cb 1.21 0.03 -0.14 0.00 0.21 0.00 0.00 27.48 28.79 2rq9 h GLN 72 CO 0.64 0.81 -0.73 0.95 -1.93 0.00 0.00 178.83 178.57 2rq9 s THR 73 N -3.85 1.87 -0.35 2.39 -4.23 -1.26 -4.98 115.64 105.23 2rq9 s THR 73 Ca -0.05 -2.24 -0.29 0.00 -1.18 0.00 0.00 61.69 57.93 2rq9 s THR 73 Cb 0.12 -2.14 0.00 0.00 1.34 0.00 0.00 72.50 71.82 2rq9 s THR 73 CO 0.81 -0.53 1.38 -2.16 -0.54 0.00 0.00 174.62 173.58 2rq9 s PRO 74 N -3.63 3.74 0.15 3.99 0.04 -1.26 -4.94 135.00 133.09 2rq9 s PRO 74 Ca 0.25 1.12 0.08 0.00 0.04 0.00 0.00 61.00 62.48 2rq9 s PRO 74 Cb -0.01 -3.96 -0.04 0.00 0.04 0.00 0.00 34.50 30.53 2rq9 s PRO 74 CO 0.09 -1.35 -0.17 -0.80 0.04 0.00 0.00 177.00 174.80 2rq9 s ASN 75 N 3.45 2.47 0.59 6.66 0.01 -1.26 -5.00 114.94 121.86 2rq9 s ASN 75 Ca 0.60 -0.83 0.31 0.00 -0.71 0.00 0.00 52.86 52.23 2rq9 s ASN 75 Cb -0.16 -0.13 1.31 0.00 0.41 0.00 0.00 41.25 42.69 2rq9 s ASN 75 CO 0.28 -0.06 1.63 -0.33 -1.51 0.00 0.00 177.10 177.11 2rq9 h GLU 76 N 3.39 0.00 -0.33 -0.60 3.07 -1.94 1.50 114.58 119.67 2rq9 h GLU 76 Ca -0.42 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.42 2rq9 h GLU 76 Cb 1.20 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 29.09 2rq9 h GLU 76 CO 0.50 0.00 0.13 0.93 -1.40 0.00 0.00 179.01 179.17 2rq9 h GLU 77 N 0.00 0.47 0.00 2.33 5.08 -1.94 0.21 114.58 120.72 2rq9 h GLU 77 Ca 0.44 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.75 2rq9 h GLU 77 Cb 2.25 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 31.41 2rq9 h GLU 77 CO -0.00 0.39 0.00 0.00 -1.00 0.00 0.00 179.01 178.40 2rq9 s LEU 79 N -5.13 4.31 0.24 0.00 2.96 0.74 -3.81 118.68 117.98 2rq9 s LEU 79 Ca 0.05 1.07 0.05 0.00 -0.22 0.00 0.00 54.13 55.08 2rq9 s LEU 79 Cb 0.09 -2.96 -0.05 0.00 0.50 0.00 0.00 46.19 43.77 2rq9 s LEU 79 CO 0.50 -0.08 -0.03 -0.36 -1.32 0.00 0.00 176.35 175.07 2rq9 s PHE 80 N 0.73 1.65 -0.20 5.38 0.40 -0.50 0.96 117.98 126.39 2rq9 s PHE 80 Ca 0.34 -0.84 -0.08 0.00 -0.60 0.00 0.00 56.93 55.75 2rq9 s PHE 80 Cb -0.17 -0.95 -0.04 0.00 0.51 0.00 0.00 43.02 42.37 2rq9 s PHE 80 CO 0.16 0.06 0.08 -0.51 0.70 0.00 0.00 175.22 175.71 2rq9 s LEU 81 N -3.34 3.78 0.02 -0.37 2.01 0.40 -0.68 118.68 120.50 2rq9 s LEU 81 Ca 0.28 0.02 0.03 0.00 0.01 0.00 0.00 54.13 54.47 2rq9 s LEU 81 Cb 0.05 -1.98 -0.04 0.00 0.01 0.00 0.00 46.19 44.24 2rq9 s LEU 81 CO 0.09 0.11 -0.03 -0.70 1.01 0.00 0.00 176.35 176.84 2rq9 s GLU 82 N 0.73 2.64 0.19 1.70 -6.30 -1.06 -1.56 118.70 115.04 2rq9 s GLU 82 Ca 0.04 -0.71 -0.12 0.00 -2.50 0.00 0.00 54.97 51.68 2rq9 s GLU 82 Cb -0.13 -2.57 0.00 0.00 0.00 0.00 0.00 34.13 31.43 2rq9 s GLU 82 CO 0.02 0.60 0.40 1.03 0.02 0.00 0.00 175.26 177.33 2rq9 s ARG 83 N -1.68 1.32 -0.33 4.30 1.81 -1.18 -4.77 118.95 118.42 2rq9 s ARG 83 Ca 0.20 -1.11 -0.17 0.00 -1.72 0.00 0.00 55.73 52.93 2rq9 s ARG 83 Cb -0.11 0.44 -0.01 0.00 -0.45 0.00 0.00 34.95 34.81 2rq9 s ARG 83 CO 0.11 -0.53 0.45 -1.17 -0.68 0.00 0.00 175.30 173.49 2rq9 s LEU 84 N -2.96 4.30 0.28 2.53 1.98 -1.26 -2.37 118.68 121.18 2rq9 s LEU 84 Ca 0.16 0.01 0.07 0.00 -2.89 0.00 0.00 54.13 51.49 2rq9 s LEU 84 Cb 0.01 -2.50 -0.03 0.00 0.66 0.00 0.00 46.19 44.32 2rq9 s LEU 84 CO 0.02 -0.38 0.25 -1.61 -1.89 0.00 0.00 176.35 172.74 2rq9 s GLU 85 N 2.24 2.94 1.47 1.98 2.02 0.79 -5.00 118.70 125.14 2rq9 s GLU 85 Ca 0.17 -1.08 -0.25 0.00 0.02 0.00 0.00 54.97 53.83 2rq9 s GLU 85 Cb -0.16 -2.59 0.38 0.00 0.10 0.00 0.00 34.13 31.86 2rq9 s GLU 85 CO 0.12 0.31 0.86 0.39 0.02 0.00 0.00 175.26 176.96 2rq9 n GLU 86 N -1.28 -4.91 -1.42 1.61 1.02 -1.26 -2.15 120.64 112.25 2rq9 n GLU 86 Ca -0.06 -1.45 -0.14 0.00 -0.02 0.00 0.00 57.16 55.48 2rq9 n GLU 86 Cb 0.58 -1.90 -0.06 0.00 -0.02 0.00 0.00 31.44 30.05 2rq9 n GLU 86 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2rq9 n ASN 87 N -5.83 -5.67 -3.29 1.62 3.02 -1.26 -2.54 115.26 101.32 2rq9 n ASN 87 Ca 0.14 0.35 -0.11 0.00 -0.03 0.00 0.00 54.58 54.93 2rq9 n ASN 87 Cb 0.60 -4.43 0.02 0.00 -0.61 0.00 0.00 39.78 35.36 2rq9 n ASN 87 CO 0.00 0.00 0.00 1.57 -2.62 0.00 0.00 177.26 176.21 2rq9 n HIS 88 N -2.27 -2.59 -4.11 3.10 -0.00 -1.22 -5.02 115.22 103.11 2rq9 n HIS 88 Ca -0.14 0.93 -0.11 0.00 0.46 0.00 0.00 57.72 58.87 2rq9 n HIS 88 Cb 0.63 -3.86 -0.09 0.00 -0.12 0.00 0.00 29.99 26.55 2rq9 n HIS 88 CO 0.00 0.00 0.00 0.71 0.46 0.00 0.00 176.34 177.51 2rq9 s TYR 89 N -3.16 0.82 0.22 1.57 2.02 -0.91 -4.93 117.35 112.98 2rq9 s TYR 89 Ca 0.18 -1.13 0.11 0.00 -0.37 0.00 0.00 57.07 55.87 2rq9 s TYR 89 Cb -0.04 -0.32 -0.05 0.00 -0.40 0.00 0.00 41.96 41.15 2rq9 s TYR 89 CO 0.78 -0.69 -0.22 -0.80 -1.57 0.00 0.00 175.55 173.05 2rq9 s ASN 90 N -3.08 3.52 0.24 2.29 -0.87 0.50 -0.15 114.94 117.39 2rq9 s ASN 90 Ca 0.29 -0.90 0.07 0.00 -1.57 0.00 0.00 52.86 50.75 2rq9 s ASN 90 Cb 0.05 -0.29 -0.05 0.00 -0.02 0.00 0.00 41.25 40.94 2rq9 s ASN 90 CO 0.07 0.10 -0.11 0.42 -2.57 0.00 0.00 177.10 175.01 2rq9 s THR 91 N -1.92 1.72 -0.09 1.60 -4.23 -1.00 0.13 115.64 111.85 2rq9 s THR 91 Ca 0.24 -2.18 -0.05 0.00 -1.18 0.00 0.00 61.69 58.51 2rq9 s THR 91 Cb -0.07 -2.24 0.04 0.00 1.34 0.00 0.00 72.50 71.56 2rq9 s THR 91 CO 0.12 -0.45 0.22 -0.31 -0.54 0.00 0.00 174.62 173.65 2rq9 s TYR 92 N -2.97 -0.27 -0.01 3.99 2.02 -1.25 -3.12 117.35 115.74 2rq9 s TYR 92 Ca 0.26 0.66 0.01 0.00 -0.37 0.00 0.00 57.07 57.64 2rq9 s TYR 92 Cb 0.01 0.03 0.00 0.00 -0.40 0.00 0.00 41.96 41.60 2rq9 s TYR 92 CO 0.10 -0.19 -0.04 0.42 -1.57 0.00 0.00 175.55 174.27 2rq9 s ILE 93 N 0.93 0.37 0.34 2.71 1.01 -0.60 -2.79 121.20 123.17 2rq9 s ILE 93 Ca -0.07 -0.17 -0.29 0.00 0.00 0.00 0.00 60.65 60.12 2rq9 s ILE 93 Cb -0.08 -0.34 -0.12 0.00 0.01 0.00 0.00 42.46 41.93 2rq9 s ILE 93 CO -0.06 0.12 1.47 -0.24 0.00 0.00 0.00 174.94 176.23 2rq9 n SER 94 N 3.15 3.49 -0.05 3.58 2.88 -1.24 0.15 113.62 125.58 2rq9 n SER 94 Ca -0.15 1.20 -0.13 0.00 -1.33 0.00 0.00 58.87 58.46 2rq9 n SER 94 Cb 0.57 -1.57 -0.11 0.00 -0.75 0.00 0.00 64.21 62.35 2rq9 n SER 94 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 2rq9 h LYS 95 N 3.44 -0.01 -0.69 -1.46 3.64 0.44 0.13 116.57 122.06 2rq9 h LYS 95 Ca -0.48 0.00 0.20 0.00 -1.27 0.00 0.00 60.65 59.10 2rq9 h LYS 95 Cb 1.25 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 33.04 2rq9 h LYS 95 CO 0.69 0.82 0.80 -0.22 -2.27 0.00 0.00 179.45 179.26 2rq9 h LYS 96 N -0.91 0.00 0.00 1.90 3.11 -1.71 -3.29 116.57 115.66 2rq9 h LYS 96 Ca -0.00 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 2rq9 h LYS 96 Cb 0.83 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.06 2rq9 h LYS 96 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 179.45 177.36 2rq9 n HIS 97 N -3.47 0.00 0.00 1.91 8.25 -1.20 -4.91 115.22 115.80 2rq9 n HIS 97 Ca 0.14 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.60 2rq9 n HIS 97 Cb 1.03 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.14 2rq9 n HIS 97 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2rq9 n ALA 98 N -3.00 0.00 0.24 -1.41 0.00 0.44 -4.07 120.51 112.71 2rq9 n ALA 98 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.59 2rq9 n ALA 98 Cb 0.00 0.00 0.80 0.00 0.00 0.00 0.00 19.45 20.25 2rq9 n ALA 98 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2rq9 h GLU 99 N 0.00 0.00 -0.00 0.00 5.08 -1.86 1.05 114.58 118.84 2rq9 h GLU 99 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2rq9 h GLU 99 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2rq9 h GLU 99 CO 0.00 0.00 -0.35 1.63 -1.00 0.00 0.00 179.01 179.29 2rq9 n LYS 100 N -2.57 0.36 -3.74 2.33 5.02 -1.26 -4.97 118.16 113.34 2rq9 n LYS 100 Ca -0.02 -0.19 -0.29 0.00 -2.02 0.00 0.00 58.31 55.78 2rq9 n LYS 100 Cb 0.11 -1.50 0.02 0.00 -0.02 0.00 0.00 35.03 33.65 2rq9 n LYS 100 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2rq9 n ASN 101 N -1.15 -5.20 -4.43 4.39 4.13 0.36 -4.81 115.26 108.54 2rq9 n ASN 101 Ca 0.09 -0.96 -0.33 0.00 1.68 0.00 0.00 54.58 55.06 2rq9 n ASN 101 Cb 0.33 -2.65 -0.13 0.00 -1.54 0.00 0.00 39.78 35.79 2rq9 n ASN 101 CO 0.00 0.00 0.00 0.26 0.28 0.00 0.00 177.26 177.80 2rq9 s TRP 102 N -3.27 2.89 0.05 3.10 0.51 -1.26 -4.70 118.94 116.26 2rq9 s TRP 102 Ca 0.27 -0.46 0.06 0.00 -2.12 0.00 0.00 56.10 53.85 2rq9 s TRP 102 Cb -0.12 -1.86 -0.04 0.00 -0.81 0.00 0.00 33.47 30.64 2rq9 s TRP 102 CO 0.89 -0.10 -0.10 -0.06 -0.51 0.00 0.00 176.95 177.07 2rq9 s PHE 103 N 0.23 2.77 0.00 -1.98 0.40 -1.24 -3.72 117.98 114.44 2rq9 s PHE 103 Ca -0.06 -0.13 0.00 0.00 -0.60 0.00 0.00 56.93 56.14 2rq9 s PHE 103 Cb -0.15 -1.51 0.00 0.00 0.51 0.00 0.00 43.02 41.87 2rq9 s PHE 103 CO 0.04 0.37 0.00 0.28 0.70 0.00 0.00 175.22 176.62 2rq9 n VAL 104 N 1.18 0.00 -1.22 -0.44 0.31 -1.12 -4.45 118.33 112.59 2rq9 n VAL 104 Ca -0.15 0.45 0.14 0.00 -0.01 0.00 0.00 64.34 64.77 2rq9 n VAL 104 Cb 0.52 -1.39 -0.05 0.00 -0.91 0.00 0.00 33.84 32.01 2rq9 n VAL 104 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2rq9 n GLY 105 N 0.20 -2.05 2.82 2.92 0.00 -1.26 -3.87 105.19 103.94 2rq9 n GLY 105 Ca 0.00 -0.79 -0.17 0.00 0.00 0.00 0.00 46.02 45.06 2rq9 n GLY 105 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2rq9 s LEU 106 N -6.24 1.14 0.00 0.99 1.43 -1.26 -2.72 118.68 112.02 2rq9 s LEU 106 Ca 0.00 -0.03 -0.09 0.00 -1.03 0.00 0.00 54.13 52.98 2rq9 s LEU 106 Cb 0.00 -0.24 0.14 0.00 0.03 0.00 0.00 46.19 46.13 2rq9 s LEU 106 CO 0.00 -0.10 0.32 0.29 0.23 0.00 0.00 176.35 177.09 2rq9 n LYS 107 N 4.18 -1.50 0.00 1.70 5.02 0.58 -4.56 118.16 123.58 2rq9 n LYS 107 Ca -0.26 -0.54 0.13 0.00 -2.02 0.00 0.00 58.31 55.62 2rq9 n LYS 107 Cb 0.50 -0.94 0.37 0.00 -0.02 0.00 0.00 35.03 34.95 2rq9 n LYS 107 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2rq9 n LYS 108 N -1.92 0.29 -0.16 1.97 4.81 -1.26 -3.32 118.16 118.57 2rq9 n LYS 108 Ca 0.05 -0.15 0.06 0.00 -0.87 0.00 0.00 58.31 57.41 2rq9 n LYS 108 Cb 0.22 -1.50 0.20 0.00 0.02 0.00 0.00 35.03 33.97 2rq9 n LYS 108 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2rq9 n ASN 109 N -1.22 1.82 -0.44 3.14 4.13 -1.26 -4.86 115.26 116.56 2rq9 n ASN 109 Ca 0.08 -1.95 -0.06 0.00 1.68 0.00 0.00 54.58 54.34 2rq9 n ASN 109 Cb 0.33 -0.21 -0.02 0.00 -1.54 0.00 0.00 39.78 38.34 2rq9 n ASN 109 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2rq9 n GLY 110 N 1.07 0.82 3.70 7.41 0.00 -1.21 -4.96 105.19 112.01 2rq9 n GLY 110 Ca 0.12 -0.80 -0.24 0.00 0.00 0.00 0.00 46.02 45.11 2rq9 n GLY 110 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2rq9 s SER 111 N -2.94 4.41 0.20 1.61 0.01 -1.26 0.19 113.70 115.92 2rq9 s SER 111 Ca 0.00 -0.97 -0.30 0.00 1.31 0.00 0.00 55.95 55.99 2rq9 s SER 111 Cb 0.00 -0.57 -0.08 0.00 0.21 0.00 0.00 66.02 65.58 2rq9 s SER 111 CO 0.00 -0.37 1.14 0.00 0.41 0.00 0.00 173.24 174.41 2rq9 s LYS 113 N -0.56 4.22 0.36 0.00 2.20 -1.10 -4.55 119.74 120.31 2rq9 s LYS 113 Ca 0.50 0.61 -0.18 0.00 -0.36 0.00 0.00 55.97 56.54 2rq9 s LYS 113 Cb -0.31 -3.57 -0.14 0.00 -1.51 0.00 0.00 37.83 32.31 2rq9 s LYS 113 CO 0.37 -0.21 0.06 0.54 -0.36 0.00 0.00 175.35 175.75 2rq9 n ARG 114 N 4.94 0.00 0.21 4.03 3.00 -1.26 -4.78 116.66 122.80 2rq9 n ARG 114 Ca -0.02 0.00 -0.14 0.00 -0.01 0.00 0.00 57.85 57.69 2rq9 n ARG 114 Cb 0.50 -0.87 -0.08 0.00 0.00 0.00 0.00 32.46 32.01 2rq9 n ARG 114 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.63 178.41 2rq9 h GLY 115 N 0.26 -0.57 -3.13 -0.13 0.00 0.12 -3.09 103.07 96.54 2rq9 h GLY 115 Ca -0.32 0.21 0.00 0.00 0.00 0.00 0.00 47.33 47.22 2rq9 h GLY 115 CO 0.40 -0.21 0.00 -1.55 0.00 0.00 0.00 176.54 175.19 2rq9 n PRO 116 N -5.20 0.75 -0.38 4.80 -0.04 -1.26 -2.43 135.00 131.23 2rq9 n PRO 116 Ca -0.10 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.36 2rq9 n PRO 116 Cb 0.29 -1.12 0.00 0.00 -0.04 0.00 0.00 33.50 32.62 2rq9 n PRO 116 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2rq9 n ARG 117 N 1.53 0.00 -4.27 0.54 5.12 -1.17 -5.10 116.66 113.31 2rq9 n ARG 117 Ca 0.00 -0.75 -0.24 0.00 -1.93 0.00 0.00 57.85 54.93 2rq9 n ARG 117 Cb 0.38 -0.43 -0.08 0.00 -1.16 0.00 0.00 32.46 31.17 2rq9 n ARG 117 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 2rq9 s THR 118 N 0.00 2.79 0.00 0.55 -4.23 -1.02 -4.92 115.64 108.82 2rq9 s THR 118 Ca 0.00 -1.90 -0.29 0.00 -1.18 0.00 0.00 61.69 58.31 2rq9 s THR 118 Cb 0.00 -2.84 0.10 0.00 1.34 0.00 0.00 72.50 71.11 2rq9 s THR 118 CO 0.00 -0.21 1.12 -1.00 -0.54 0.00 0.00 174.62 173.99 2rq9 s HIS 119 N -2.48 -0.13 0.02 3.99 3.76 -1.26 -4.89 115.29 114.30 2rq9 s HIS 119 Ca 0.35 -0.03 -0.30 0.00 -0.15 0.00 0.00 55.06 54.93 2rq9 s HIS 119 Cb -0.01 0.57 -0.05 0.00 1.11 0.00 0.00 32.58 34.19 2rq9 s HIS 119 CO 0.20 -0.46 1.25 0.71 -0.85 0.00 0.00 174.74 175.59 2rq9 s TYR 120 N -2.78 3.23 0.00 1.40 2.02 -1.26 -3.21 117.35 116.76 2rq9 s TYR 120 Ca 0.11 1.16 0.00 0.00 -0.37 0.00 0.00 57.07 57.97 2rq9 s TYR 120 Cb 0.01 -3.48 0.00 0.00 -0.40 0.00 0.00 41.96 38.09 2rq9 s TYR 120 CO -0.03 -1.59 0.00 0.41 -1.57 0.00 0.00 175.55 172.77 2rq9 n GLY 121 N 3.37 2.03 3.81 0.71 0.00 -1.26 -5.11 105.19 108.73 2rq9 n GLY 121 Ca 0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.79 2rq9 n GLY 121 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2rq9 s GLN 122 N 0.00 4.30 -0.11 1.61 -0.21 -1.20 -4.94 119.66 119.12 2rq9 s GLN 122 Ca 0.00 1.18 0.08 0.00 0.02 0.00 0.00 55.36 56.64 2rq9 s GLN 122 Cb 0.00 -2.33 0.42 0.00 1.00 0.00 0.00 33.01 32.10 2rq9 s GLN 122 CO 0.00 0.03 1.17 1.17 -2.12 0.00 0.00 175.29 175.55 2rq9 n LYS 123 N -0.35 2.89 -0.12 2.91 4.81 -1.26 -3.92 118.16 123.12 2rq9 n LYS 123 Ca 0.06 -1.62 -0.24 0.00 -0.87 0.00 0.00 58.31 55.64 2rq9 n LYS 123 Cb 0.53 -1.82 -0.10 0.00 0.02 0.00 0.00 35.03 33.66 2rq9 n LYS 123 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2rq9 n ALA 124 N 0.37 0.96 0.07 3.14 0.00 -1.26 -2.31 120.51 121.47 2rq9 n ALA 124 Ca 0.14 -0.78 0.19 0.00 0.00 0.00 0.00 53.44 52.99 2rq9 n ALA 124 Cb 0.69 -0.19 0.72 0.00 0.00 0.00 0.00 19.45 20.68 2rq9 n ALA 124 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.50 176.66 2rq9 h ILE 125 N -1.00 0.64 -2.13 0.00 3.07 -1.90 -3.39 117.51 112.80 2rq9 h ILE 125 Ca -0.47 0.00 -0.54 0.00 1.55 0.00 0.00 64.86 65.40 2rq9 h ILE 125 Cb 1.39 0.75 -0.02 0.00 -0.27 0.00 0.00 36.82 38.68 2rq9 h ILE 125 CO -0.29 0.00 1.42 -0.76 -1.05 0.00 0.00 178.15 177.47 2rq9 s LEU 126 N -8.31 3.42 -0.05 0.16 1.43 -1.26 -4.23 118.68 109.84 2rq9 s LEU 126 Ca -0.05 1.15 0.06 0.00 -1.03 0.00 0.00 54.13 54.26 2rq9 s LEU 126 Cb 0.18 -3.06 -0.01 0.00 0.03 0.00 0.00 46.19 43.33 2rq9 s LEU 126 CO 0.66 -2.19 -0.24 -0.36 0.23 0.00 0.00 176.35 174.46 2rq9 s PHE 127 N 8.92 2.30 -0.23 0.29 0.40 0.34 -4.09 117.98 125.91 2rq9 s PHE 127 Ca 0.85 -0.66 0.02 0.00 -0.60 0.00 0.00 56.93 56.55 2rq9 s PHE 127 Cb -0.21 -1.51 0.04 0.00 0.51 0.00 0.00 43.02 41.86 2rq9 s PHE 127 CO 0.29 -0.19 -0.14 -1.17 0.70 0.00 0.00 175.22 174.71 2rq9 s LEU 128 N -0.17 2.97 -0.35 -0.37 0.20 -1.12 0.19 118.68 120.02 2rq9 s LEU 128 Ca -0.02 -1.11 -0.29 0.00 0.69 0.00 0.00 54.13 53.40 2rq9 s LEU 128 Cb -0.13 -1.53 0.00 0.00 -0.43 0.00 0.00 46.19 44.11 2rq9 s LEU 128 CO 0.03 -0.12 1.37 -2.16 -0.29 0.00 0.00 176.35 175.18 2rq9 s PRO 129 N 1.18 3.74 0.03 0.98 0.04 -1.25 -1.27 135.00 138.43 2rq9 s PRO 129 Ca -0.04 1.11 -0.15 0.00 0.04 0.00 0.00 61.00 61.97 2rq9 s PRO 129 Cb -0.17 -3.96 -0.06 0.00 0.04 0.00 0.00 34.50 30.35 2rq9 s PRO 129 CO -0.08 -1.36 0.43 -0.51 0.04 0.00 0.00 177.00 175.53 2rq9 s LEU 130 N 4.95 4.46 0.28 -3.56 2.01 0.10 -4.82 118.68 122.11 2rq9 s LEU 130 Ca 0.60 0.99 -0.29 0.00 0.01 0.00 0.00 54.13 55.43 2rq9 s LEU 130 Cb -0.16 -2.70 -0.09 0.00 0.01 0.00 0.00 46.19 43.25 2rq9 s LEU 130 CO 0.28 0.29 1.08 -2.16 1.01 0.00 0.00 176.35 176.85 2rq9 s PRO 131 N -1.22 4.66 0.01 1.29 0.04 -1.26 -0.07 135.00 138.44 2rq9 s PRO 131 Ca 0.26 1.76 -0.06 0.00 0.04 0.00 0.00 61.00 63.01 2rq9 s PRO 131 Cb -0.17 -3.19 -0.00 0.00 0.04 0.00 0.00 34.50 31.18 2rq9 s PRO 131 CO 0.15 0.24 0.10 0.54 0.04 0.00 0.00 177.00 178.07 2rq9 s VAL 132 N -1.17 0.09 0.49 -0.36 0.11 -1.15 -4.86 120.40 113.54 2rq9 s VAL 132 Ca 0.44 -0.74 0.00 0.00 -2.93 0.00 0.00 61.98 58.76 2rq9 s VAL 132 Cb -0.31 -0.39 0.00 0.00 -1.53 0.00 0.00 36.38 34.15 2rq9 s VAL 132 CO 0.40 -0.40 0.00 -0.24 -3.33 0.00 0.00 175.10 171.52 2rq9 n SER 133 N 1.50 -8.55 -4.54 3.54 2.88 -1.26 -4.37 113.62 102.83 2rq9 n SER 133 Ca -0.23 1.23 -0.30 0.00 -1.33 0.00 0.00 58.87 58.24 2rq9 n SER 133 Cb 0.55 -4.69 0.21 0.00 -0.75 0.00 0.00 64.21 59.54 2rq9 n SER 133 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2rq9 n SER 134 N -0.69 -0.99 -0.01 -3.46 7.64 -1.26 -4.91 113.62 109.95 2rq9 n SER 134 Ca 0.00 0.08 -0.17 0.00 1.01 0.00 0.00 58.87 59.79 2rq9 n SER 134 Cb 0.00 -1.33 -0.09 0.00 -1.01 0.00 0.00 64.21 61.78 2rq9 n SER 134 CO 0.00 0.00 0.00 -2.24 -3.01 0.00 0.00 175.04 169.79 2rq9 h ASP 135 N -2.32 0.74 -0.41 6.43 2.03 -1.90 -3.48 116.42 117.51 2rq9 h ASP 135 Ca -0.53 -0.67 0.01 0.00 -0.73 0.00 0.00 57.03 55.10 2rq9 h ASP 135 Cb 1.31 -0.22 -0.00 0.00 -0.83 0.00 0.00 39.33 39.58 2rq9 h ASP 135 CO 0.45 1.30 -0.01 0.18 -1.03 0.00 0.00 179.24 180.12 2rq9 n LEU 136 N -4.10 0.00 -0.05 0.15 4.32 -1.26 -4.95 117.00 111.12 2rq9 n LEU 136 Ca -0.09 0.04 0.00 0.00 -0.02 0.00 0.00 56.01 55.95 2rq9 n LEU 136 Cb 0.69 -0.15 0.00 0.00 -1.62 0.00 0.00 43.42 42.34 2rq9 n LEU 136 CO 0.50 -0.56 -0.01 1.21 -1.22 0.00 0.00 177.39 177.31 2rq9 n GLU 137 N -0.78 -0.13 -3.85 3.23 2.13 -1.26 -4.97 120.64 115.02 2rq9 n GLU 137 Ca 0.00 0.09 -0.35 0.00 0.66 0.00 0.00 57.16 57.56 2rq9 n GLU 137 Cb 0.02 -0.10 -0.13 0.00 0.27 0.00 0.00 31.44 31.50 2rq9 n GLU 137 CO 0.00 0.00 0.00 -1.01 -0.41 0.00 0.00 177.13 175.71 2rq9 s HIS 138 N -1.14 3.56 0.77 4.31 3.76 -1.26 -5.09 115.29 120.20 2rq9 s HIS 138 Ca 0.00 -2.42 -0.15 0.00 -0.15 0.00 0.00 55.06 52.34 2rq9 s HIS 138 Cb 0.00 -2.95 -0.01 0.00 1.11 0.00 0.00 32.58 30.73 2rq9 s HIS 138 CO 0.00 -0.94 0.60 -2.39 -0.85 0.00 0.00 174.74 171.16 2rq9 n HIS 139 N 4.54 -0.61 0.06 1.40 1.44 -1.26 -4.90 115.22 115.88 2rq9 n HIS 139 Ca -0.03 0.34 0.00 0.00 -2.01 0.00 0.00 57.72 56.02 2rq9 n HIS 139 Cb 0.42 -1.92 0.00 0.00 0.12 0.00 0.00 29.99 28.60 2rq9 n HIS 139 CO 0.00 0.00 0.00 -2.39 -2.81 0.00 0.00 176.34 171.14 2rq9 n HIS 140 N -2.66 -1.31 0.00 -1.40 1.44 -1.26 -5.04 115.22 104.99 2rq9 n HIS 140 Ca 0.10 0.23 0.00 0.00 -2.01 0.00 0.00 57.72 56.04 2rq9 n HIS 140 Cb 0.50 0.75 0.00 0.00 0.12 0.00 0.00 29.99 31.36 2rq9 n HIS 140 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 2rq9 n HIS 141 N -2.83 0.00 -0.91 -1.40 8.25 -1.26 -4.89 115.22 112.17 2rq9 n HIS 141 Ca 0.00 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.58 2rq9 n HIS 141 Cb 0.00 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.07 2rq9 n HIS 141 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2rq9 n HIS 142 N 0.00 -2.31 0.87 4.41 8.25 -1.26 -5.07 115.22 120.11 2rq9 n HIS 142 Ca 0.00 1.17 0.07 0.00 -0.26 0.00 0.00 57.72 58.70 2rq9 n HIS 142 Cb 0.00 -2.10 0.41 0.00 1.12 0.00 0.00 29.99 29.42 2rq9 n HIS 142 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59