#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rq9 n ASN 2 N 0.00 0.00 -4.41 3.17 4.13 -1.26 -5.14 115.26 111.74 2rq9 n ASN 2 Ca 0.00 0.00 -0.25 0.00 1.68 0.00 0.00 54.58 56.01 2rq9 n ASN 2 Cb 0.00 0.23 -0.11 0.00 -1.54 0.00 0.00 39.78 38.36 2rq9 n ASN 2 CO 0.00 0.00 0.00 -0.31 0.28 0.00 0.00 177.26 177.23 2rq9 s TYR 3 N -1.66 2.20 0.00 3.10 2.02 -1.26 -5.01 117.35 116.74 2rq9 s TYR 3 Ca 0.00 -0.38 0.00 0.00 -0.37 0.00 0.00 57.07 56.32 2rq9 s TYR 3 Cb 0.00 -1.07 0.00 0.00 -0.40 0.00 0.00 41.96 40.49 2rq9 s TYR 3 CO 0.00 0.51 0.00 1.17 -1.57 0.00 0.00 175.55 175.66 2rq9 n LYS 4 N 0.10 0.00 -1.22 -0.62 0.00 -1.25 -4.79 118.16 110.37 2rq9 n LYS 4 Ca -0.11 0.00 -0.34 0.00 0.00 0.00 0.00 58.31 57.85 2rq9 n LYS 4 Cb 0.57 0.00 0.11 0.00 0.00 0.00 0.00 35.03 35.71 2rq9 n LYS 4 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 2rq9 n LYS 5 N -2.32 0.34 -2.52 1.64 4.76 -1.26 -4.69 118.16 114.10 2rq9 n LYS 5 Ca 0.00 0.18 -0.34 0.00 -2.87 0.00 0.00 58.31 55.28 2rq9 n LYS 5 Cb 0.00 -2.34 -0.03 0.00 -1.84 0.00 0.00 35.03 30.81 2rq9 n LYS 5 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 2rq9 s PRO 6 N -3.77 3.78 0.14 1.97 0.04 -1.26 -4.34 135.00 131.56 2rq9 s PRO 6 Ca 0.73 1.35 0.00 0.00 0.04 0.00 0.00 61.00 63.13 2rq9 s PRO 6 Cb -0.31 -2.09 -0.04 0.00 0.04 0.00 0.00 34.50 32.09 2rq9 s PRO 6 CO 0.51 -0.44 0.01 0.15 0.04 0.00 0.00 177.00 177.27 2rq9 s LYS 7 N -3.28 0.98 -0.04 4.56 3.01 0.29 -3.87 119.74 121.38 2rq9 s LYS 7 Ca 0.67 -1.46 0.01 0.00 -1.01 0.00 0.00 55.97 54.18 2rq9 s LYS 7 Cb -0.16 -0.03 -0.03 0.00 -1.01 0.00 0.00 37.83 36.59 2rq9 s LYS 7 CO 0.21 -0.17 -0.04 -0.51 0.51 0.00 0.00 175.35 175.35 2rq9 s LEU 8 N -3.09 3.33 -0.30 3.17 1.43 -0.87 -2.47 118.68 119.88 2rq9 s LEU 8 Ca 0.22 -0.00 -0.19 0.00 -1.03 0.00 0.00 54.13 53.12 2rq9 s LEU 8 Cb 0.07 -1.81 -0.01 0.00 0.03 0.00 0.00 46.19 44.46 2rq9 s LEU 8 CO 0.01 0.33 0.56 -0.76 0.23 0.00 0.00 176.35 176.73 2rq9 s LEU 9 N -1.10 4.15 0.17 1.79 2.01 -1.26 -1.05 118.68 123.39 2rq9 s LEU 9 Ca 0.15 0.36 0.01 0.00 0.01 0.00 0.00 54.13 54.66 2rq9 s LEU 9 Cb -0.11 -2.71 -0.04 0.00 0.01 0.00 0.00 46.19 43.34 2rq9 s LEU 9 CO 0.05 -0.41 0.33 -0.47 1.01 0.00 0.00 176.35 176.86 2rq9 s TYR 10 N 2.46 3.49 -0.53 0.29 5.04 -0.88 -2.38 117.35 124.84 2rq9 s TYR 10 Ca 0.22 0.24 0.05 0.00 -2.44 0.00 0.00 57.07 55.14 2rq9 s TYR 10 Cb -0.15 -1.77 0.18 0.00 0.35 0.00 0.00 41.96 40.57 2rq9 s TYR 10 CO 0.11 0.45 0.42 0.00 -1.34 0.00 0.00 175.55 175.20 2rq9 n SER 12 N 2.36 0.09 -0.29 0.00 2.88 -1.26 0.19 113.62 117.58 2rq9 n SER 12 Ca 0.26 1.06 -0.02 0.00 -1.33 0.00 0.00 58.87 58.84 2rq9 n SER 12 Cb 0.43 -0.53 0.04 0.00 -0.75 0.00 0.00 64.21 63.41 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 -1.18 0.00 -3.46 -1.24 -1.63 -3.30 115.58 104.77 2rq9 h ASN 13 Ca 0.82 0.27 -0.01 0.00 0.71 0.00 0.00 56.30 58.09 2rq9 h ASN 13 Cb 3.02 0.63 -0.00 0.00 0.73 0.00 0.00 38.32 42.70 2rq9 h ASN 13 CO -0.20 -0.29 -1.02 0.61 -1.29 0.00 0.00 177.43 175.23 2rq9 n GLY 14 N -1.47 -0.01 0.41 1.57 0.00 0.25 -4.87 105.19 101.07 2rq9 n GLY 14 Ca 0.08 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 3.27 0.69 3.13 -0.02 0.00 0.50 -5.00 105.19 107.76 2rq9 n GLY 15 Ca -0.01 -0.63 -0.08 0.00 0.00 0.00 0.00 46.02 45.30 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 -2.28 0.66 -0.04 1.61 3.76 -1.26 -4.78 115.29 112.96 2rq9 s HIS 16 Ca 0.00 -1.12 -0.02 0.00 -0.15 0.00 0.00 55.06 53.78 2rq9 s HIS 16 Cb 0.00 -0.41 -0.04 0.00 1.11 0.00 0.00 32.58 33.25 2rq9 s HIS 16 CO 0.00 -0.46 0.07 -0.06 -0.85 0.00 0.00 174.74 173.43 2rq9 s PHE 17 N -3.98 3.29 -0.40 1.40 0.08 -1.09 -2.71 117.98 114.58 2rq9 s PHE 17 Ca 0.15 0.25 -0.29 0.00 0.12 0.00 0.00 56.93 57.16 2rq9 s PHE 17 Cb 0.07 -1.78 0.02 0.00 -0.57 0.00 0.00 43.02 40.76 2rq9 s PHE 17 CO -0.04 0.56 1.24 -1.17 -0.10 0.00 0.00 175.22 175.70 2rq9 s LEU 18 N -1.38 3.72 -0.08 -0.37 2.96 -1.00 -0.65 118.68 121.87 2rq9 s LEU 18 Ca 0.19 0.80 -0.00 0.00 -0.22 0.00 0.00 54.13 54.90 2rq9 s LEU 18 Cb -0.12 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 43.00 2rq9 s LEU 18 CO 0.09 -1.21 -0.04 -0.60 -1.32 0.00 0.00 176.35 173.27 2rq9 s ARG 19 N 4.41 2.85 -0.31 1.98 3.52 -0.68 -4.55 118.95 126.18 2rq9 s ARG 19 Ca 0.53 -0.48 0.04 0.00 -0.13 0.00 0.00 55.73 55.68 2rq9 s ARG 19 Cb -0.12 -2.68 0.09 0.00 -1.56 0.00 0.00 34.95 30.68 2rq9 s ARG 19 CO 0.28 0.68 -0.00 0.42 -0.81 0.00 0.00 175.30 175.87 2rq9 s ILE 20 N -0.85 2.25 0.61 4.11 1.01 -1.26 -2.56 121.20 124.51 2rq9 s ILE 20 Ca 0.13 -2.12 -0.15 0.00 0.00 0.00 0.00 60.65 58.51 2rq9 s ILE 20 Cb -0.11 -2.56 -0.03 0.00 0.01 0.00 0.00 42.46 39.77 2rq9 s ILE 20 CO 0.02 -0.42 1.06 -0.76 0.00 0.00 0.00 174.94 174.84 2rq9 s LEU 21 N 0.97 3.45 0.00 2.97 1.43 0.18 -4.81 118.68 122.86 2rq9 s LEU 21 Ca 0.05 1.81 0.24 0.00 -1.03 0.00 0.00 54.13 55.19 2rq9 s LEU 21 Cb -0.19 -4.53 1.40 0.00 0.03 0.00 0.00 46.19 42.90 2rq9 s LEU 21 CO -0.07 -1.23 1.79 -0.81 0.23 0.00 0.00 176.35 176.26 2rq9 n PRO 22 N -2.18 0.70 -0.20 1.29 -0.04 -1.26 -2.12 135.00 131.19 2rq9 n PRO 22 Ca 0.09 0.01 0.10 0.00 -0.04 0.00 0.00 63.50 63.66 2rq9 n PRO 22 Cb 0.53 -1.50 0.27 0.00 -0.04 0.00 0.00 33.50 32.76 2rq9 n PRO 22 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2rq9 n ASP 23 N -1.04 2.74 -0.70 3.54 8.00 -1.26 -4.90 116.55 122.93 2rq9 n ASP 23 Ca 0.17 -1.92 -0.03 0.00 0.71 0.00 0.00 54.79 53.72 2rq9 n ASP 23 Cb 0.09 -0.26 0.01 0.00 -0.02 0.00 0.00 41.12 40.94 2rq9 n ASP 23 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2rq9 n GLY 24 N 1.34 0.57 3.48 0.44 0.00 -0.90 -5.02 105.19 105.10 2rq9 n GLY 24 Ca 0.18 -0.63 -0.30 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.71 2.89 -0.14 2.61 2.01 -1.22 -4.16 115.64 114.91 2rq9 s THR 25 Ca 0.05 -1.25 -0.02 0.00 0.31 0.00 0.00 61.69 60.78 2rq9 s THR 25 Cb -0.02 -2.26 0.05 0.00 0.01 0.00 0.00 72.50 70.28 2rq9 s THR 25 CO 0.06 0.27 0.03 -0.69 -0.69 0.00 0.00 174.62 173.59 2rq9 s VAL 26 N -1.00 0.41 0.14 3.82 1.01 -1.26 -0.65 120.40 122.87 2rq9 s VAL 26 Ca 0.16 -0.24 -0.11 0.00 0.00 0.00 0.00 61.98 61.79 2rq9 s VAL 26 Cb -0.11 -0.79 0.00 0.00 0.00 0.00 0.00 36.38 35.49 2rq9 s VAL 26 CO 0.07 -0.02 0.29 -1.81 0.00 0.00 0.00 175.10 173.63 2rq9 s ASP 27 N 1.93 0.00 0.15 3.32 1.01 -1.06 -4.60 116.67 117.42 2rq9 s ASP 27 Ca 0.02 -0.69 -0.27 0.00 0.71 0.00 0.00 52.55 52.31 2rq9 s ASP 27 Cb -0.15 0.42 -0.07 0.00 1.01 0.00 0.00 42.92 44.13 2rq9 s ASP 27 CO -0.07 -0.85 0.84 -0.83 0.21 0.00 0.00 175.17 174.47 2rq9 s GLY 28 N -2.90 2.95 -0.08 0.21 0.00 0.27 -1.68 107.32 106.09 2rq9 s GLY 28 Ca 0.11 0.44 -0.03 0.00 0.00 0.00 0.00 44.72 45.24 2rq9 s GLY 28 CO -0.05 1.09 0.10 -1.08 0.00 0.00 0.00 173.10 173.16 2rq9 s THR 29 N -0.73 -0.17 -0.97 0.90 -1.32 0.17 -4.73 115.64 108.80 2rq9 s THR 29 Ca 0.39 0.31 -0.04 0.00 -1.21 0.00 0.00 61.69 61.15 2rq9 s THR 29 Cb -0.23 -0.27 0.18 0.00 -1.51 0.00 0.00 72.50 70.67 2rq9 s THR 29 CO 0.27 0.10 2.31 -1.14 -2.21 0.00 0.00 174.62 173.95 2rq9 n ARG 30 N 5.31 3.98 -3.31 7.08 0.63 -1.26 -2.68 116.66 126.42 2rq9 n ARG 30 Ca -0.04 -3.47 -0.24 0.00 -0.92 0.00 0.00 57.85 53.18 2rq9 n ARG 30 Cb 0.50 -2.42 -0.09 0.00 0.45 0.00 0.00 32.46 30.90 2rq9 n ARG 30 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 2rq9 n ASP 31 N 0.78 -0.89 -0.26 6.15 2.03 -1.26 -4.99 116.55 118.11 2rq9 n ASP 31 Ca 0.54 -2.45 0.15 0.00 0.52 0.00 0.00 54.79 53.56 2rq9 n ASP 31 Cb 0.32 -0.25 0.29 0.00 -0.72 0.00 0.00 41.12 40.77 2rq9 n ASP 31 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2rq9 n ARG 32 N 2.84 -0.06 -0.25 -0.67 3.00 -1.26 0.15 116.66 120.41 2rq9 n ARG 32 Ca 0.28 1.14 0.21 0.00 -0.01 0.00 0.00 57.85 59.47 2rq9 n ARG 32 Cb 0.49 -1.88 0.38 0.00 0.00 0.00 0.00 32.46 31.46 2rq9 n ARG 32 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 2rq9 n SER 33 N -5.01 0.17 -4.67 0.55 2.88 -1.26 -4.36 113.62 101.91 2rq9 n SER 33 Ca 0.21 1.26 -0.61 0.00 -1.33 0.00 0.00 58.87 58.40 2rq9 n SER 33 Cb 0.71 -0.57 -0.08 0.00 -0.75 0.00 0.00 64.21 63.52 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 -4.80 1.45 -1.89 -3.46 -0.08 0.40 -4.79 116.55 103.38 2rq9 n ASP 34 Ca 0.26 1.14 -0.18 0.00 -1.51 0.00 0.00 54.79 54.49 2rq9 n ASP 34 Cb 0.87 -1.02 0.08 0.00 2.34 0.00 0.00 41.12 43.39 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 3.83 1.92 0.00 -0.67 1.13 -1.26 -3.92 117.38 118.40 2rq9 n GLN 35 Ca 0.26 -1.97 0.00 0.00 -1.94 0.00 0.00 57.00 53.35 2rq9 n GLN 35 Cb 0.06 -1.77 0.00 0.00 0.11 0.00 0.00 30.24 28.64 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 -0.28 0.00 -0.36 1.08 8.25 -1.26 -4.56 115.22 118.09 2rq9 n HIS 36 Ca 0.38 0.00 0.37 0.00 -0.26 0.00 0.00 57.72 58.21 2rq9 n HIS 36 Cb 0.92 0.14 0.67 0.00 1.12 0.00 0.00 29.99 32.84 2rq9 n HIS 36 CO 0.00 0.00 0.00 -0.84 0.64 0.00 0.00 176.34 176.14 2rq9 h ILE 37 N 0.00 0.13 -0.14 1.59 3.07 -1.80 -3.32 117.51 117.03 2rq9 h ILE 37 Ca 0.00 0.00 -0.00 0.00 1.55 0.00 0.00 64.86 66.41 2rq9 h ILE 37 Cb 0.48 0.17 -0.00 0.00 -0.27 0.00 0.00 36.82 37.20 2rq9 h ILE 37 CO 0.00 0.00 0.02 0.00 -1.05 0.00 0.00 178.15 177.12 2rq9 n GLN 38 N -3.72 0.20 -3.28 0.16 6.02 -1.26 -4.64 117.38 110.87 2rq9 n GLN 38 Ca 0.29 -1.48 -0.33 0.00 -0.01 0.00 0.00 57.00 55.46 2rq9 n GLN 38 Cb 1.52 -3.85 -0.06 0.00 1.02 0.00 0.00 30.24 28.88 2rq9 n GLN 38 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2rq9 s LEU 39 N 16.64 4.20 -0.32 1.08 1.43 -1.03 -2.65 118.68 138.02 2rq9 s LEU 39 Ca 0.84 1.13 -0.10 0.00 -1.03 0.00 0.00 54.13 54.97 2rq9 s LEU 39 Cb -0.07 -3.69 0.00 0.00 0.03 0.00 0.00 46.19 42.46 2rq9 s LEU 39 CO 0.16 -0.06 0.16 -1.58 0.23 0.00 0.00 176.35 175.27 2rq9 s GLN 40 N -2.55 3.22 -0.13 1.70 0.74 0.47 0.11 119.66 123.21 2rq9 s GLN 40 Ca 0.46 -0.80 -0.12 0.00 0.05 0.00 0.00 55.36 54.95 2rq9 s GLN 40 Cb -0.13 -3.60 -0.05 0.00 1.10 0.00 0.00 33.01 30.34 2rq9 s GLN 40 CO 0.20 -0.48 0.25 -0.51 -0.55 0.00 0.00 175.29 174.20 2rq9 s LEU 41 N 1.60 4.31 0.05 3.68 1.02 -1.25 -2.03 118.68 126.04 2rq9 s LEU 41 Ca 0.04 0.53 -0.05 0.00 0.02 0.00 0.00 54.13 54.66 2rq9 s LEU 41 Cb -0.18 -2.29 -0.01 0.00 0.02 0.00 0.00 46.19 43.73 2rq9 s LEU 41 CO 0.06 0.22 0.09 -0.44 0.02 0.00 0.00 176.35 176.30 2rq9 s SER 42 N -0.13 0.20 -0.17 2.29 0.01 -0.25 -3.95 113.70 111.70 2rq9 s SER 42 Ca 0.16 -0.60 -0.01 0.00 1.31 0.00 0.00 55.95 56.81 2rq9 s SER 42 Cb -0.13 0.24 -0.01 0.00 0.21 0.00 0.00 66.02 66.33 2rq9 s SER 42 CO 0.04 -0.55 -0.11 0.00 0.41 0.00 0.00 173.24 173.03 2rq9 s ALA 43 N -2.90 2.62 -0.15 1.44 0.00 -1.26 0.16 121.76 121.67 2rq9 s ALA 43 Ca -0.02 -1.05 -0.00 0.00 0.00 0.00 0.00 51.96 50.88 2rq9 s ALA 43 Cb 0.01 -1.37 -0.09 0.00 0.00 0.00 0.00 23.12 21.66 2rq9 s ALA 43 CO -0.06 -0.11 -0.14 -1.91 0.00 0.00 0.00 175.76 173.54 2rq9 n GLU 44 N 4.19 0.37 -4.39 0.00 2.13 -1.21 -5.00 120.64 116.73 2rq9 n GLU 44 Ca -0.19 0.10 -0.20 0.00 0.66 0.00 0.00 57.16 57.53 2rq9 n GLU 44 Cb 0.52 -1.27 -0.10 0.00 0.27 0.00 0.00 31.44 30.85 2rq9 n GLU 44 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 2rq9 s SER 45 N -5.60 2.58 0.01 4.31 0.01 -1.25 -5.04 113.70 108.71 2rq9 s SER 45 Ca -0.21 -1.14 -0.30 0.00 1.31 0.00 0.00 55.95 55.62 2rq9 s SER 45 Cb 0.06 -0.14 -0.08 0.00 0.21 0.00 0.00 66.02 66.07 2rq9 s SER 45 CO 0.34 -0.31 1.88 -0.69 0.41 0.00 0.00 173.24 174.87 2rq9 s VAL 46 N -3.05 3.18 -0.14 3.43 1.01 -1.26 -0.39 120.40 123.19 2rq9 s VAL 46 Ca 0.27 0.22 0.00 0.00 0.00 0.00 0.00 61.98 62.47 2rq9 s VAL 46 Cb 0.03 -3.14 0.00 0.00 0.00 0.00 0.00 36.38 33.26 2rq9 s VAL 46 CO 0.10 -0.02 0.00 0.61 0.00 0.00 0.00 175.10 175.79 2rq9 n GLY 47 N 4.45 0.50 3.26 4.51 0.00 -1.26 -5.01 105.19 111.64 2rq9 n GLY 47 Ca 0.19 -0.36 -0.31 0.00 0.00 0.00 0.00 46.02 45.54 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 -1.08 2.32 0.04 1.61 2.02 0.48 -1.54 118.70 122.55 2rq9 s GLU 48 Ca 0.00 -0.88 0.02 0.00 0.02 0.00 0.00 54.97 54.13 2rq9 s GLU 48 Cb 0.00 -2.04 -0.02 0.00 0.10 0.00 0.00 34.13 32.16 2rq9 s GLU 48 CO 0.00 0.42 -0.07 0.14 0.02 0.00 0.00 175.26 175.76 2rq9 s VAL 49 N -0.27 0.50 -0.10 2.63 -7.23 -0.65 -3.36 120.40 111.92 2rq9 s VAL 49 Ca 0.00 -1.00 0.03 0.00 -1.81 0.00 0.00 61.98 59.19 2rq9 s VAL 49 Cb -0.12 -0.56 -0.01 0.00 0.56 0.00 0.00 36.38 36.25 2rq9 s VAL 49 CO 0.02 -0.36 -0.19 -0.31 -0.31 0.00 0.00 175.10 173.96 2rq9 s TYR 50 N -1.30 2.66 -0.19 2.82 2.02 0.43 -2.06 117.35 121.74 2rq9 s TYR 50 Ca -0.10 -0.73 -0.01 0.00 -0.37 0.00 0.00 57.07 55.87 2rq9 s TYR 50 Cb -0.09 -1.74 0.00 0.00 -0.40 0.00 0.00 41.96 39.73 2rq9 s TYR 50 CO 0.00 -0.23 -0.13 0.42 -1.57 0.00 0.00 175.55 174.04 2rq9 s ILE 51 N 0.14 2.73 0.03 2.71 1.01 -1.26 -1.09 121.20 125.47 2rq9 s ILE 51 Ca -0.10 -0.72 -0.03 0.00 0.00 0.00 0.00 60.65 59.80 2rq9 s ILE 51 Cb -0.16 -2.19 -0.02 0.00 0.01 0.00 0.00 42.46 40.11 2rq9 s ILE 51 CO 0.06 0.49 0.05 -1.59 0.00 0.00 0.00 174.94 173.94 2rq9 s LYS 52 N 1.20 0.49 0.11 2.79 -2.85 -0.86 -0.12 119.74 120.50 2rq9 s LYS 52 Ca 0.02 -0.73 -0.25 0.00 -1.00 0.00 0.00 55.97 54.01 2rq9 s LYS 52 Cb -0.14 0.19 -0.07 0.00 -2.06 0.00 0.00 37.83 35.75 2rq9 s LYS 52 CO -0.05 -0.11 0.78 0.45 0.10 0.00 0.00 175.35 176.51 2rq9 s SER 53 N -1.94 7.32 0.00 0.03 0.15 0.33 0.18 113.70 119.77 2rq9 s SER 53 Ca -0.08 1.56 0.18 0.00 0.70 0.00 0.00 55.95 58.31 2rq9 s SER 53 Cb -0.03 -2.49 0.50 0.00 -1.71 0.00 0.00 66.02 62.29 2rq9 s SER 53 CO -0.03 0.12 1.41 0.35 1.20 0.00 0.00 173.24 176.29 2rq9 n THR 54 N 2.16 0.64 0.00 6.45 -2.24 -1.08 -3.27 114.28 116.94 2rq9 n THR 54 Ca -0.04 -0.68 0.00 0.00 -2.27 0.00 0.00 64.05 61.06 2rq9 n THR 54 Cb 0.49 0.42 0.00 0.00 -2.10 0.00 0.00 70.33 69.15 2rq9 n THR 54 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 2rq9 n GLU 55 N 1.04 0.00 0.03 -0.78 4.07 -1.26 -4.85 120.64 118.89 2rq9 n GLU 55 Ca 0.18 0.00 -0.09 0.00 -0.06 0.00 0.00 57.16 57.18 2rq9 n GLU 55 Cb 0.46 -0.38 -0.07 0.00 -0.06 0.00 0.00 31.44 31.39 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 0.82 0.00 6.31 1.35 -1.87 -3.49 112.91 116.02 2rq9 h THR 56 Ca 0.00 -1.26 0.00 0.00 -0.55 0.00 0.00 66.41 64.60 2rq9 h THR 56 Cb 0.00 1.43 0.00 0.00 -1.73 0.00 0.00 68.15 67.85 2rq9 h THR 56 CO 0.00 0.23 0.00 0.61 -0.25 0.00 0.00 175.52 176.11 2rq9 n GLY 57 N 0.92 0.98 3.55 5.82 0.00 -1.20 -5.09 105.19 110.17 2rq9 n GLY 57 Ca -0.07 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.70 2rq9 n GLY 57 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2rq9 s GLN 58 N 0.03 1.99 -0.09 1.61 -0.21 -1.26 -4.92 119.66 116.82 2rq9 s GLN 58 Ca 0.00 -1.40 -0.04 0.00 0.02 0.00 0.00 55.36 53.94 2rq9 s GLN 58 Cb 0.00 -2.07 -0.04 0.00 1.00 0.00 0.00 33.01 31.91 2rq9 s GLN 58 CO 0.00 0.40 0.08 0.71 -2.12 0.00 0.00 175.29 174.36 2rq9 s TYR 59 N -1.95 3.38 -0.31 0.91 2.02 -1.03 -0.51 117.35 119.86 2rq9 s TYR 59 Ca 0.27 0.34 -0.28 0.00 -0.37 0.00 0.00 57.07 57.02 2rq9 s TYR 59 Cb -0.08 -1.85 0.01 0.00 -0.40 0.00 0.00 41.96 39.65 2rq9 s TYR 59 CO 0.16 0.60 1.04 -1.17 -1.57 0.00 0.00 175.55 174.61 2rq9 s LEU 60 N -1.09 3.96 0.05 -1.29 2.96 0.83 -0.94 118.68 123.17 2rq9 s LEU 60 Ca 0.16 1.03 0.00 0.00 -0.22 0.00 0.00 54.13 55.10 2rq9 s LEU 60 Cb -0.12 -3.49 -0.03 0.00 0.50 0.00 0.00 46.19 43.05 2rq9 s LEU 60 CO 0.05 -0.84 -0.05 0.00 -1.32 0.00 0.00 176.35 174.20 2rq9 s ALA 61 N 3.55 0.51 -0.27 5.97 0.00 -1.12 -4.35 121.76 126.05 2rq9 s ALA 61 Ca 0.44 -0.99 -0.05 0.00 0.00 0.00 0.00 51.96 51.36 2rq9 s ALA 61 Cb -0.13 0.17 0.01 0.00 0.00 0.00 0.00 23.12 23.17 2rq9 s ALA 61 CO 0.14 -0.22 0.04 1.41 0.00 0.00 0.00 175.76 177.13 2rq9 s MET 62 N -2.80 3.12 0.27 0.00 1.75 -1.26 -1.29 119.30 119.09 2rq9 s MET 62 Ca -0.01 -0.83 -0.05 0.00 -1.25 0.00 0.00 55.69 53.56 2rq9 s MET 62 Cb -0.01 -3.25 0.07 0.00 2.84 0.00 0.00 34.83 34.48 2rq9 s MET 62 CO -0.05 -0.39 0.24 -0.25 -0.65 0.00 0.00 175.02 173.93 2rq9 n ASP 63 N 4.82 -1.24 -0.08 1.11 8.00 -0.82 -4.89 116.55 123.45 2rq9 n ASP 63 Ca -0.15 -0.64 0.15 0.00 0.71 0.00 0.00 54.79 54.85 2rq9 n ASP 63 Cb 0.48 -0.22 0.79 0.00 -0.02 0.00 0.00 41.12 42.15 2rq9 n ASP 63 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 2rq9 n THR 64 N -3.02 0.00 0.69 -3.53 -2.24 -1.26 -2.84 114.28 102.09 2rq9 n THR 64 Ca 0.03 -0.04 0.12 0.00 -2.27 0.00 0.00 64.05 61.89 2rq9 n THR 64 Cb 0.13 -0.30 0.26 0.00 -2.10 0.00 0.00 70.33 68.33 2rq9 n THR 64 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2rq9 n ASP 65 N -0.91 0.62 0.00 3.42 8.00 -1.26 -4.92 116.55 121.50 2rq9 n ASP 65 Ca 0.19 0.16 0.00 0.00 0.71 0.00 0.00 54.79 55.86 2rq9 n ASP 65 Cb 0.20 -0.04 0.00 0.00 -0.02 0.00 0.00 41.12 41.26 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 1.38 1.11 3.95 0.44 0.00 -1.13 -4.67 105.19 106.27 2rq9 n GLY 66 Ca 0.04 0.00 -0.24 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 3.53 -0.08 0.99 2.01 -1.26 -0.28 118.68 123.58 2rq9 s LEU 67 Ca 0.00 0.36 -0.05 0.00 0.01 0.00 0.00 54.13 54.45 2rq9 s LEU 67 Cb 0.00 -3.23 -0.04 0.00 0.01 0.00 0.00 46.19 42.94 2rq9 s LEU 67 CO 0.00 -0.81 0.13 -0.76 1.01 0.00 0.00 176.35 175.92 2rq9 s LEU 68 N -4.67 4.26 0.15 1.79 1.43 -1.26 -1.95 118.68 118.44 2rq9 s LEU 68 Ca 0.50 0.39 -0.01 0.00 -1.03 0.00 0.00 54.13 53.98 2rq9 s LEU 68 Cb -0.10 -2.18 -0.04 0.00 0.03 0.00 0.00 46.19 43.90 2rq9 s LEU 68 CO 0.40 0.36 0.08 -0.72 0.23 0.00 0.00 176.35 176.70 2rq9 s TYR 69 N -1.09 0.97 -0.26 0.29 -0.85 -0.41 -4.24 117.35 111.76 2rq9 s TYR 69 Ca 0.18 -1.27 -0.20 0.00 -0.52 0.00 0.00 57.07 55.26 2rq9 s TYR 69 Cb -0.12 -0.52 -0.02 0.00 0.38 0.00 0.00 41.96 41.68 2rq9 s TYR 69 CO 0.08 -0.54 0.64 0.20 -1.52 0.00 0.00 175.55 174.40 2rq9 s GLY 70 N -3.09 1.80 0.12 5.49 0.00 -1.26 -2.77 107.32 107.61 2rq9 s GLY 70 Ca 0.29 -0.45 -0.22 0.00 0.00 0.00 0.00 44.72 44.34 2rq9 s GLY 70 CO 0.05 1.46 0.67 -1.35 0.00 0.00 0.00 173.10 173.93 2rq9 s SER 71 N 1.49 7.21 0.15 1.64 1.04 -0.11 -4.86 113.70 120.25 2rq9 s SER 71 Ca 0.26 1.44 0.05 0.00 0.48 0.00 0.00 55.95 58.19 2rq9 s SER 71 Cb -0.15 -2.42 -0.08 0.00 0.10 0.00 0.00 66.02 63.46 2rq9 s SER 71 CO 0.09 0.24 1.34 -0.61 0.98 0.00 0.00 173.24 175.27 2rq9 h GLN 72 N 4.39 0.08 -5.08 4.02 4.15 -1.91 -2.72 115.11 118.02 2rq9 h GLN 72 Ca -0.48 -0.10 -0.34 0.00 0.77 0.00 0.00 58.65 58.49 2rq9 h GLN 72 Cb 1.21 0.03 -0.17 0.00 0.21 0.00 0.00 27.48 28.76 2rq9 h GLN 72 CO 0.65 0.95 -0.74 0.95 -1.93 0.00 0.00 178.83 178.71 2rq9 s THR 73 N -2.96 1.07 -0.40 2.39 -4.23 -1.26 -4.93 115.64 105.31 2rq9 s THR 73 Ca -0.01 -1.73 -0.29 0.00 -1.18 0.00 0.00 61.69 58.49 2rq9 s THR 73 Cb 0.10 -1.48 0.01 0.00 1.34 0.00 0.00 72.50 72.47 2rq9 s THR 73 CO 0.82 -0.56 1.41 -2.16 -0.54 0.00 0.00 174.62 173.59 2rq9 s PRO 74 N -2.92 3.60 0.20 3.99 0.04 -1.26 -4.84 135.00 133.81 2rq9 s PRO 74 Ca 0.08 0.97 0.09 0.00 0.04 0.00 0.00 61.00 62.18 2rq9 s PRO 74 Cb -0.02 -4.01 -0.04 0.00 0.04 0.00 0.00 34.50 30.46 2rq9 s PRO 74 CO 0.01 -1.53 -0.18 -0.80 0.04 0.00 0.00 177.00 174.54 2rq9 s ASN 75 N 3.85 2.86 0.60 6.66 0.01 -1.26 -4.99 114.94 122.67 2rq9 s ASN 75 Ca 0.61 -0.95 0.28 0.00 -0.71 0.00 0.00 52.86 52.10 2rq9 s ASN 75 Cb -0.14 -0.18 1.23 0.00 0.41 0.00 0.00 41.25 42.57 2rq9 s ASN 75 CO 0.32 -0.06 1.61 -0.33 -1.51 0.00 0.00 177.10 177.13 2rq9 h GLU 76 N 2.84 0.00 -0.16 -0.60 5.08 -1.94 1.50 114.58 121.30 2rq9 h GLU 76 Ca -0.41 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 57.94 2rq9 h GLU 76 Cb 1.22 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.46 2rq9 h GLU 76 CO 0.56 0.00 0.02 0.93 -1.00 0.00 0.00 179.01 179.52 2rq9 h GLU 77 N 0.00 0.23 0.00 2.33 5.08 -1.96 0.24 114.58 120.50 2rq9 h GLU 77 Ca 0.36 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.69 2rq9 h GLU 77 Cb 2.06 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 31.26 2rq9 h GLU 77 CO -0.00 0.23 0.00 0.00 -1.00 0.00 0.00 179.01 178.24 2rq9 s LEU 79 N -5.08 4.08 0.35 0.00 2.96 0.84 -4.11 118.68 117.72 2rq9 s LEU 79 Ca 0.07 0.97 0.09 0.00 -0.22 0.00 0.00 54.13 55.04 2rq9 s LEU 79 Cb 0.10 -3.17 -0.06 0.00 0.50 0.00 0.00 46.19 43.56 2rq9 s LEU 79 CO 0.55 -0.53 -0.02 -0.36 -1.32 0.00 0.00 176.35 174.66 2rq9 s PHE 80 N 2.86 2.49 -0.24 5.38 0.40 -0.87 -2.08 117.98 125.93 2rq9 s PHE 80 Ca 0.34 -0.49 -0.09 0.00 -0.60 0.00 0.00 56.93 56.09 2rq9 s PHE 80 Cb -0.15 -1.50 -0.04 0.00 0.51 0.00 0.00 43.02 41.84 2rq9 s PHE 80 CO 0.08 0.50 0.11 -0.51 0.70 0.00 0.00 175.22 176.10 2rq9 s LEU 81 N -3.68 3.79 0.00 -0.37 2.01 0.51 -1.63 118.68 119.30 2rq9 s LEU 81 Ca 0.34 -0.03 0.02 0.00 0.01 0.00 0.00 54.13 54.47 2rq9 s LEU 81 Cb 0.02 -2.01 -0.04 0.00 0.01 0.00 0.00 46.19 44.18 2rq9 s LEU 81 CO 0.18 0.03 -0.02 -0.70 1.01 0.00 0.00 176.35 176.85 2rq9 s GLU 82 N 1.23 2.69 0.16 1.70 -6.30 -0.59 -1.11 118.70 116.48 2rq9 s GLU 82 Ca 0.06 -0.66 -0.04 0.00 -2.50 0.00 0.00 54.97 51.83 2rq9 s GLU 82 Cb -0.14 -2.60 -0.03 0.00 0.00 0.00 0.00 34.13 31.35 2rq9 s GLU 82 CO 0.05 0.61 0.15 0.50 0.02 0.00 0.00 175.26 176.59 2rq9 s ARG 83 N -1.54 1.06 -0.38 4.30 3.52 -1.22 -4.77 118.95 119.91 2rq9 s ARG 83 Ca 0.19 -1.39 -0.16 0.00 -0.13 0.00 0.00 55.73 54.24 2rq9 s ARG 83 Cb -0.11 0.29 0.00 0.00 -1.56 0.00 0.00 34.95 33.57 2rq9 s ARG 83 CO 0.10 -0.34 0.37 -1.17 -0.81 0.00 0.00 175.30 173.44 2rq9 s LEU 84 N -3.04 4.71 0.11 -0.88 1.98 -1.26 -2.91 118.68 117.39 2rq9 s LEU 84 Ca 0.24 -0.52 0.04 0.00 -2.89 0.00 0.00 54.13 51.00 2rq9 s LEU 84 Cb 0.06 -2.31 -0.04 0.00 0.66 0.00 0.00 46.19 44.56 2rq9 s LEU 84 CO 0.03 -0.43 0.11 -1.61 -1.89 0.00 0.00 176.35 172.55 2rq9 s GLU 85 N 1.98 2.91 1.26 1.98 0.41 0.86 -5.02 118.70 123.08 2rq9 s GLU 85 Ca 0.10 -0.74 -0.19 0.00 -0.41 0.00 0.00 54.97 53.73 2rq9 s GLU 85 Cb -0.17 -2.71 0.28 0.00 -1.78 0.00 0.00 34.13 29.75 2rq9 s GLU 85 CO 0.12 0.54 0.65 0.39 -0.49 0.00 0.00 175.26 176.47 2rq9 n GLU 86 N 0.16 -3.39 -0.99 1.61 1.02 -1.26 -1.88 120.64 115.90 2rq9 n GLU 86 Ca -0.08 -1.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.06 2rq9 n GLU 86 Cb 0.53 -1.82 0.00 0.00 -0.02 0.00 0.00 31.44 30.13 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 -3.96 -4.69 -3.02 1.62 4.13 -1.26 -2.99 115.26 105.08 2rq9 n ASN 87 Ca 0.08 0.00 -0.11 0.00 1.68 0.00 0.00 54.58 56.22 2rq9 n ASN 87 Cb 0.53 -2.27 0.05 0.00 -1.54 0.00 0.00 39.78 36.55 2rq9 n ASN 87 CO 0.00 0.00 0.00 1.41 0.28 0.00 0.00 177.26 178.95 2rq9 n HIS 88 N -2.40 -2.26 -3.91 3.10 8.25 -1.20 -5.04 115.22 111.77 2rq9 n HIS 88 Ca 0.00 0.80 -0.10 0.00 -0.26 0.00 0.00 57.72 58.16 2rq9 n HIS 88 Cb 0.29 -3.92 -0.10 0.00 1.12 0.00 0.00 29.99 27.38 2rq9 n HIS 88 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 2rq9 s TYR 89 N -3.29 0.13 0.27 4.41 2.02 -0.79 -4.97 117.35 115.13 2rq9 s TYR 89 Ca 0.35 -0.32 0.10 0.00 -0.37 0.00 0.00 57.07 56.83 2rq9 s TYR 89 Cb -0.05 -0.10 -0.04 0.00 -0.40 0.00 0.00 41.96 41.37 2rq9 s TYR 89 CO 0.66 -0.30 -0.01 -0.80 -1.57 0.00 0.00 175.55 173.53 2rq9 s ASN 90 N -1.63 4.50 0.33 2.29 -0.87 -0.49 -0.10 114.94 118.97 2rq9 s ASN 90 Ca -0.12 -0.67 0.03 0.00 -1.57 0.00 0.00 52.86 50.53 2rq9 s ASN 90 Cb -0.06 -0.81 -0.05 0.00 -0.02 0.00 0.00 41.25 40.30 2rq9 s ASN 90 CO -0.01 -0.01 0.08 0.42 -2.57 0.00 0.00 177.10 175.01 2rq9 s THR 91 N -2.34 0.92 -0.14 1.60 -4.23 -1.14 -0.02 115.64 110.27 2rq9 s THR 91 Ca 0.32 -2.00 -0.09 0.00 -1.18 0.00 0.00 61.69 58.73 2rq9 s THR 91 Cb -0.06 -2.67 0.05 0.00 1.34 0.00 0.00 72.50 71.16 2rq9 s THR 91 CO 0.20 0.00 0.36 -0.31 -0.54 0.00 0.00 174.62 174.32 2rq9 s TYR 92 N -3.39 -0.48 0.02 3.99 2.02 -1.25 -3.39 117.35 114.87 2rq9 s TYR 92 Ca 0.34 1.07 0.03 0.00 -0.37 0.00 0.00 57.07 58.14 2rq9 s TYR 92 Cb 0.07 0.18 -0.01 0.00 -0.40 0.00 0.00 41.96 41.80 2rq9 s TYR 92 CO 0.15 -0.27 -0.08 0.42 -1.57 0.00 0.00 175.55 174.19 2rq9 s ILE 93 N 1.01 0.63 0.29 2.71 1.01 -0.27 -2.25 121.20 124.34 2rq9 s ILE 93 Ca -0.07 -0.63 -0.29 0.00 0.00 0.00 0.00 60.65 59.66 2rq9 s ILE 93 Cb -0.07 -0.59 -0.10 0.00 0.01 0.00 0.00 42.46 41.71 2rq9 s ILE 93 CO -0.08 -0.02 1.26 -0.55 0.00 0.00 0.00 174.94 175.55 2rq9 s SER 94 N -0.72 6.92 0.00 3.58 0.15 -1.24 0.19 113.70 122.58 2rq9 s SER 94 Ca -0.01 2.53 -0.11 0.00 0.70 0.00 0.00 55.95 59.05 2rq9 s SER 94 Cb -0.06 -2.64 -0.06 0.00 -1.71 0.00 0.00 66.02 61.56 2rq9 s SER 94 CO 0.00 -0.44 0.82 0.50 1.20 0.00 0.00 173.24 175.32 2rq9 h LYS 95 N 3.94 -0.40 -0.24 5.44 3.64 -1.65 1.09 116.57 128.40 2rq9 h LYS 95 Ca -0.47 0.03 0.07 0.00 -1.27 0.00 0.00 60.65 59.00 2rq9 h LYS 95 Cb 1.22 0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 33.12 2rq9 h LYS 95 CO 0.68 -0.27 0.49 -0.22 -2.27 0.00 0.00 179.45 177.87 2rq9 h LYS 96 N -0.58 0.00 -0.80 1.90 3.64 -1.82 0.58 116.57 119.49 2rq9 h LYS 96 Ca -0.04 0.00 -0.50 0.00 -1.27 0.00 0.00 60.65 58.84 2rq9 h LYS 96 Cb 0.32 0.00 -0.42 0.00 -0.41 0.00 0.00 32.23 31.71 2rq9 h LYS 96 CO 0.07 0.00 -0.87 0.72 -2.27 0.00 0.00 179.45 177.10 2rq9 n HIS 97 N -3.21 2.55 0.04 1.91 8.25 -1.08 -4.76 115.22 118.92 2rq9 n HIS 97 Ca 0.04 -2.34 -0.20 0.00 -0.26 0.00 0.00 57.72 54.96 2rq9 n HIS 97 Cb 0.61 -0.29 -0.12 0.00 1.12 0.00 0.00 29.99 31.31 2rq9 n HIS 97 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2rq9 h ALA 98 N 2.32 0.06 0.00 -1.41 0.00 0.69 -3.13 119.26 117.79 2rq9 h ALA 98 Ca 0.27 -0.67 -0.02 0.00 0.00 0.00 0.00 54.91 54.48 2rq9 h ALA 98 Cb 1.41 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.26 2rq9 h ALA 98 CO 0.67 0.56 -0.10 1.05 0.00 0.00 0.00 179.25 181.43 2rq9 h GLU 99 N 0.15 0.00 0.00 0.00 4.11 -1.82 -1.21 114.58 115.81 2rq9 h GLU 99 Ca -0.13 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.30 2rq9 h GLU 99 Cb 1.63 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.88 2rq9 h GLU 99 CO 0.18 0.10 0.00 1.63 0.07 0.00 0.00 179.01 180.99 2rq9 n LYS 100 N -3.29 0.01 -3.55 1.06 5.02 -1.18 -4.92 118.16 111.31 2rq9 n LYS 100 Ca -0.00 0.13 -0.22 0.00 -2.02 0.00 0.00 58.31 56.20 2rq9 n LYS 100 Cb 0.32 -1.50 0.02 0.00 -0.02 0.00 0.00 35.03 33.85 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 -1.49 -5.86 -4.45 4.39 4.13 -0.46 -4.80 115.26 106.73 2rq9 n ASN 101 Ca 0.05 -0.77 -0.33 0.00 1.68 0.00 0.00 54.58 55.21 2rq9 n ASN 101 Cb 0.25 -3.45 -0.13 0.00 -1.54 0.00 0.00 39.78 34.90 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 -3.23 2.89 0.09 3.10 0.51 -1.25 -4.63 118.94 116.42 2rq9 s TRP 102 Ca 0.24 -0.41 0.08 0.00 -2.12 0.00 0.00 56.10 53.89 2rq9 s TRP 102 Cb -0.08 -1.85 -0.04 0.00 -0.81 0.00 0.00 33.47 30.69 2rq9 s TRP 102 CO 0.84 -0.05 -0.17 -0.06 -0.51 0.00 0.00 176.95 177.00 2rq9 s PHE 103 N 0.13 2.58 -0.15 -1.98 0.40 -1.24 -3.72 117.98 114.00 2rq9 s PHE 103 Ca -0.04 -0.24 -0.22 0.00 -0.60 0.00 0.00 56.93 55.82 2rq9 s PHE 103 Cb -0.14 -1.40 -0.03 0.00 0.51 0.00 0.00 43.02 41.96 2rq9 s PHE 103 CO 0.04 0.35 0.69 0.08 0.70 0.00 0.00 175.22 177.07 2rq9 s VAL 104 N -1.08 5.00 0.21 -0.44 1.01 -0.95 -4.60 120.40 119.55 2rq9 s VAL 104 Ca 0.17 1.35 -0.23 0.00 0.00 0.00 0.00 61.98 63.28 2rq9 s VAL 104 Cb -0.11 -4.01 0.05 0.00 0.00 0.00 0.00 36.38 32.31 2rq9 s VAL 104 CO 0.09 0.14 0.71 -0.83 0.00 0.00 0.00 175.10 175.22 2rq9 s GLY 105 N 1.04 -0.31 -0.02 4.51 0.00 -1.26 -4.35 107.32 106.93 2rq9 s GLY 105 Ca 0.33 0.09 0.02 0.00 0.00 0.00 0.00 44.72 45.17 2rq9 s GLY 105 CO 0.13 0.03 -0.07 1.08 0.00 0.00 0.00 173.10 174.27 2rq9 s LEU 106 N -2.84 1.83 0.00 0.66 1.43 -1.26 -1.03 118.68 117.47 2rq9 s LEU 106 Ca 0.07 -0.14 0.00 0.00 -1.03 0.00 0.00 54.13 53.04 2rq9 s LEU 106 Cb -0.03 -0.41 0.00 0.00 0.03 0.00 0.00 46.19 45.77 2rq9 s LEU 106 CO -0.01 0.05 0.00 0.29 0.23 0.00 0.00 176.35 176.91 2rq9 n LYS 107 N 3.21 -1.24 0.14 1.70 4.76 0.56 -4.50 118.16 122.79 2rq9 n LYS 107 Ca -0.17 0.00 0.06 0.00 -2.87 0.00 0.00 58.31 55.33 2rq9 n LYS 107 Cb 0.55 0.00 0.04 0.00 -1.84 0.00 0.00 35.03 33.79 2rq9 n LYS 107 CO 0.00 0.00 0.00 -0.22 -1.37 0.00 0.00 177.40 175.81 2rq9 h LYS 108 N 0.00 0.00 -0.17 1.97 3.64 -1.89 -3.07 116.57 117.05 2rq9 h LYS 108 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2rq9 h LYS 108 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 2rq9 h LYS 108 CO 0.00 0.28 0.00 0.09 -2.27 0.00 0.00 179.45 177.55 2rq9 n ASN 109 N -3.08 1.17 -1.16 4.20 3.02 -1.26 -4.87 115.26 113.29 2rq9 n ASN 109 Ca 0.00 -1.81 -0.07 0.00 -0.03 0.00 0.00 54.58 52.67 2rq9 n ASN 109 Cb 0.68 -0.11 0.01 0.00 -0.61 0.00 0.00 39.78 39.75 2rq9 n ASN 109 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2rq9 n GLY 110 N 0.94 0.29 3.63 7.41 0.00 -1.16 -4.88 105.19 111.42 2rq9 n GLY 110 Ca 0.11 -0.48 -0.34 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.91 4.87 0.24 1.61 0.01 -1.26 -0.56 113.70 115.71 2rq9 s SER 111 Ca 0.10 -0.00 -0.30 0.00 1.31 0.00 0.00 55.95 57.06 2rq9 s SER 111 Cb -0.04 -1.25 -0.10 0.00 0.21 0.00 0.00 66.02 64.83 2rq9 s SER 111 CO 0.12 0.34 1.40 0.00 0.41 0.00 0.00 173.24 175.51 2rq9 s LYS 113 N -0.42 4.15 0.05 0.00 2.20 -0.20 -4.79 119.74 120.73 2rq9 s LYS 113 Ca 0.58 0.53 -0.31 0.00 -0.36 0.00 0.00 55.97 56.41 2rq9 s LYS 113 Cb -0.41 -3.61 -0.16 0.00 -1.51 0.00 0.00 37.83 32.14 2rq9 s LYS 113 CO 0.43 -0.30 0.76 0.54 -0.36 0.00 0.00 175.35 176.42 2rq9 n ARG 114 N 5.32 0.00 -0.10 4.03 3.00 -1.26 -4.59 116.66 123.06 2rq9 n ARG 114 Ca -0.02 0.00 -0.09 0.00 -0.01 0.00 0.00 57.85 57.73 2rq9 n ARG 114 Cb 0.49 -1.13 -0.01 0.00 0.00 0.00 0.00 32.46 31.81 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 2.04 0.49 0.70 -0.13 0.00 -0.90 -1.16 103.07 104.11 2rq9 h GLY 115 Ca -0.37 -0.21 0.00 0.00 0.00 0.00 0.00 47.33 46.75 2rq9 h GLY 115 CO 0.52 0.20 0.00 -1.55 0.00 0.00 0.00 176.54 175.72 2rq9 n PRO 116 N -4.81 0.75 -1.93 4.80 -0.04 -1.26 -2.99 135.00 129.53 2rq9 n PRO 116 Ca -0.01 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.18 2rq9 n PRO 116 Cb 0.06 -1.35 0.03 0.00 -0.04 0.00 0.00 33.50 32.21 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 -0.85 3.39 -4.52 0.54 5.12 -0.44 -5.02 116.66 114.88 2rq9 n ARG 117 Ca 0.13 -4.01 -0.25 0.00 -1.93 0.00 0.00 57.85 51.79 2rq9 n ARG 117 Cb 0.06 -2.28 -0.11 0.00 -1.16 0.00 0.00 32.46 28.97 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 -4.76 1.89 -0.02 0.55 -4.23 -1.16 -4.73 115.64 103.17 2rq9 s THR 118 Ca 0.53 -2.10 -0.30 0.00 -1.18 0.00 0.00 61.69 58.65 2rq9 s THR 118 Cb 0.43 -2.71 0.11 0.00 1.34 0.00 0.00 72.50 71.67 2rq9 s THR 118 CO -0.01 -0.15 1.30 -1.00 -0.54 0.00 0.00 174.62 174.22 2rq9 s HIS 119 N -2.83 -0.00 -0.19 3.99 3.76 -1.26 -4.94 115.29 113.81 2rq9 s HIS 119 Ca 0.33 -0.10 -0.22 0.00 -0.15 0.00 0.00 55.06 54.92 2rq9 s HIS 119 Cb 0.06 0.55 -0.02 0.00 1.11 0.00 0.00 32.58 34.27 2rq9 s HIS 119 CO 0.16 -0.25 0.67 0.71 -0.85 0.00 0.00 174.74 175.17 2rq9 s TYR 120 N -2.17 3.38 0.00 1.40 2.02 -1.26 -3.93 117.35 116.79 2rq9 s TYR 120 Ca 0.22 0.99 0.00 0.00 -0.37 0.00 0.00 57.07 57.91 2rq9 s TYR 120 Cb 0.02 -2.84 0.00 0.00 -0.40 0.00 0.00 41.96 38.74 2rq9 s TYR 120 CO -0.02 -0.19 0.00 0.41 -1.57 0.00 0.00 175.55 174.17 2rq9 n GLY 121 N 3.74 1.31 3.83 0.71 0.00 -1.26 -5.12 105.19 108.39 2rq9 n GLY 121 Ca -0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 4.14 -0.18 1.61 -0.21 -1.25 -4.95 119.66 118.82 2rq9 s GLN 122 Ca 0.00 1.06 0.08 0.00 0.02 0.00 0.00 55.36 56.53 2rq9 s GLN 122 Cb 0.00 -2.17 0.53 0.00 1.00 0.00 0.00 33.01 32.37 2rq9 s GLN 122 CO 0.00 -0.10 1.38 1.17 -2.12 0.00 0.00 175.29 175.62 2rq9 n LYS 123 N -0.93 3.33 -0.12 2.91 4.81 -1.26 -4.06 118.16 122.83 2rq9 n LYS 123 Ca 0.07 -2.09 -0.23 0.00 -0.87 0.00 0.00 58.31 55.19 2rq9 n LYS 123 Cb 0.54 -1.98 -0.08 0.00 0.02 0.00 0.00 35.03 33.53 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 0.25 1.05 0.17 3.14 0.00 -1.26 -1.74 120.51 122.11 2rq9 n ALA 124 Ca 0.22 -0.95 0.18 0.00 0.00 0.00 0.00 53.44 52.90 2rq9 n ALA 124 Cb 0.95 0.04 0.80 0.00 0.00 0.00 0.00 19.45 21.24 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 0.41 -3.09 0.00 3.07 -1.76 -3.39 117.51 111.75 2rq9 h ILE 125 Ca -0.46 0.00 -0.57 0.00 1.55 0.00 0.00 64.86 65.38 2rq9 h ILE 125 Cb 1.39 0.76 -0.05 0.00 -0.27 0.00 0.00 36.82 38.65 2rq9 h ILE 125 CO -0.28 0.00 1.13 -0.76 -1.05 0.00 0.00 178.15 177.19 2rq9 s LEU 126 N -7.43 3.55 0.05 0.16 1.43 -1.26 -4.29 118.68 110.90 2rq9 s LEU 126 Ca -0.04 0.93 0.09 0.00 -1.03 0.00 0.00 54.13 54.07 2rq9 s LEU 126 Cb 0.15 -3.51 -0.03 0.00 0.03 0.00 0.00 46.19 42.83 2rq9 s LEU 126 CO 0.53 -1.53 -0.24 -0.36 0.23 0.00 0.00 176.35 174.98 2rq9 s PHE 127 N 5.88 2.39 -0.14 0.29 0.40 0.97 -4.13 117.98 123.63 2rq9 s PHE 127 Ca 0.66 -0.37 -0.01 0.00 -0.60 0.00 0.00 56.93 56.62 2rq9 s PHE 127 Cb -0.16 -1.40 0.04 0.00 0.51 0.00 0.00 43.02 42.01 2rq9 s PHE 127 CO 0.33 0.18 -0.05 -1.17 0.70 0.00 0.00 175.22 175.21 2rq9 s LEU 128 N -1.37 1.33 0.01 -0.37 2.96 -1.18 -1.40 118.68 118.66 2rq9 s LEU 128 Ca 0.13 -0.50 -0.30 0.00 -0.22 0.00 0.00 54.13 53.23 2rq9 s LEU 128 Cb -0.10 -0.81 -0.04 0.00 0.50 0.00 0.00 46.19 45.73 2rq9 s LEU 128 CO 0.03 -0.18 1.19 -2.16 -1.32 0.00 0.00 176.35 173.92 2rq9 s PRO 129 N 1.71 4.41 -0.17 0.98 0.04 -1.26 -2.07 135.00 138.64 2rq9 s PRO 129 Ca 0.02 1.71 -0.08 0.00 0.04 0.00 0.00 61.00 62.69 2rq9 s PRO 129 Cb -0.14 -3.44 -0.04 0.00 0.04 0.00 0.00 34.50 30.91 2rq9 s PRO 129 CO -0.08 -0.32 0.10 -0.51 0.04 0.00 0.00 177.00 176.23 2rq9 s LEU 130 N 1.54 4.07 -0.58 -3.56 2.01 -0.21 -4.88 118.68 117.07 2rq9 s LEU 130 Ca 0.57 0.22 -0.27 0.00 0.01 0.00 0.00 54.13 54.65 2rq9 s LEU 130 Cb -0.27 -2.03 0.01 0.00 0.01 0.00 0.00 46.19 43.91 2rq9 s LEU 130 CO 0.26 0.23 1.51 -2.16 1.01 0.00 0.00 176.35 177.20 2rq9 s PRO 131 N 0.05 3.16 0.00 1.29 0.04 -1.26 -2.05 135.00 136.22 2rq9 s PRO 131 Ca 0.08 0.46 0.24 0.00 0.04 0.00 0.00 61.00 61.82 2rq9 s PRO 131 Cb -0.12 -4.19 0.37 0.00 0.04 0.00 0.00 34.50 30.60 2rq9 s PRO 131 CO -0.00 -2.12 1.32 1.55 0.04 0.00 0.00 177.00 177.79 2rq9 n VAL 132 N 6.90 0.00 -2.74 -0.36 3.14 -1.25 -4.60 118.33 119.43 2rq9 n VAL 132 Ca 0.13 -0.17 -0.05 0.00 -2.96 0.00 0.00 64.34 61.29 2rq9 n VAL 132 Cb 0.50 0.79 0.03 0.00 -1.06 0.00 0.00 33.84 34.09 2rq9 n VAL 132 CO 0.00 0.00 0.00 -0.24 -6.46 0.00 0.00 176.83 170.13 2rq9 n SER 133 N -0.48 -2.88 -4.04 6.55 2.88 -1.26 -5.05 113.62 109.35 2rq9 n SER 133 Ca 0.10 -2.65 -0.36 0.00 -1.33 0.00 0.00 58.87 54.63 2rq9 n SER 133 Cb 0.40 1.56 0.04 0.00 -0.75 0.00 0.00 64.21 65.46 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 2.46 -5.70 -0.00 -3.46 7.64 -1.26 -4.68 113.62 108.62 2rq9 n SER 134 Ca 0.14 0.22 -0.00 0.00 1.01 0.00 0.00 58.87 60.23 2rq9 n SER 134 Cb 0.60 -0.79 -0.00 0.00 -1.01 0.00 0.00 64.21 63.01 2rq9 n SER 134 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 2rq9 h ASP 135 N -0.97 0.00 0.00 6.43 5.19 -2.00 -3.46 116.42 121.61 2rq9 h ASP 135 Ca -0.44 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.97 2rq9 h ASP 135 Cb 1.31 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.82 2rq9 h ASP 135 CO 0.25 0.04 0.00 -0.11 -3.12 0.00 0.00 179.24 176.29 2rq9 n LEU 136 N -2.34 0.00 -4.66 1.55 7.94 -1.26 -4.68 117.00 113.56 2rq9 n LEU 136 Ca -0.00 0.00 -0.50 0.00 -1.11 0.00 0.00 56.01 54.40 2rq9 n LEU 136 Cb 0.01 0.00 -0.05 0.00 0.53 0.00 0.00 43.42 43.91 2rq9 n LEU 136 CO 0.00 0.00 1.19 1.21 -1.11 0.00 0.00 177.39 178.69 2rq9 n GLU 137 N 0.00 1.71 0.00 1.96 0.00 -1.26 -4.86 120.64 118.19 2rq9 n GLU 137 Ca 0.00 0.62 0.00 0.00 0.00 0.00 0.00 57.16 57.78 2rq9 n GLU 137 Cb 0.00 -2.36 0.00 0.00 0.00 0.00 0.00 31.44 29.08 2rq9 n GLU 137 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 2rq9 n HIS 138 N 4.14 0.00 -4.10 4.31 8.25 -1.26 -5.13 115.22 121.44 2rq9 n HIS 138 Ca 0.20 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.34 2rq9 n HIS 138 Cb 0.24 0.00 -0.16 0.00 1.12 0.00 0.00 29.99 31.19 2rq9 n HIS 138 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2rq9 s HIS 139 N -2.00 2.81 0.42 4.41 -3.43 -1.26 -5.12 115.29 111.12 2rq9 s HIS 139 Ca 0.00 -1.74 0.06 0.00 -0.80 0.00 0.00 55.06 52.59 2rq9 s HIS 139 Cb 0.00 -1.89 0.01 0.00 -1.43 0.00 0.00 32.58 29.27 2rq9 s HIS 139 CO 0.00 -0.81 0.58 -3.38 -2.00 0.00 0.00 174.74 169.13 2rq9 s HIS 140 N 1.27 2.90 0.07 0.38 -3.43 -1.26 -5.13 115.29 110.09 2rq9 s HIS 140 Ca 0.02 -0.28 -0.09 0.00 -0.80 0.00 0.00 55.06 53.91 2rq9 s HIS 140 Cb -0.14 -2.35 0.00 0.00 -1.43 0.00 0.00 32.58 28.66 2rq9 s HIS 140 CO -0.11 -0.40 0.20 -3.38 -2.00 0.00 0.00 174.74 169.05 2rq9 s HIS 141 N -2.38 0.10 -0.22 0.38 -3.43 -1.26 -5.17 115.29 103.31 2rq9 s HIS 141 Ca 0.53 -0.45 -0.28 0.00 -0.80 0.00 0.00 55.06 54.06 2rq9 s HIS 141 Cb -0.10 -0.04 0.13 0.00 -1.43 0.00 0.00 32.58 31.15 2rq9 s HIS 141 CO 0.34 -0.51 1.06 -1.58 -2.00 0.00 0.00 174.74 172.05 2rq9 s HIS 142 N -3.41 -0.37 -0.75 0.38 2.46 -1.26 -5.22 115.29 107.11 2rq9 s HIS 142 Ca 0.01 0.77 0.00 0.00 0.47 0.00 0.00 55.06 56.32 2rq9 s HIS 142 Cb 0.03 0.42 0.00 0.00 -0.13 0.00 0.00 32.58 32.90 2rq9 s HIS 142 CO -0.09 -0.26 0.19 1.58 -2.47 0.00 0.00 174.74 173.69