#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 -4.46 6.12 4.13 -1.26 -4.50 115.26 115.29 2rq9 n ASN 2 Ca 0.00 0.00 -0.31 0.00 1.68 0.00 0.00 54.58 55.95 2rq9 n ASN 2 Cb 0.00 0.00 -0.13 0.00 -1.54 0.00 0.00 39.78 38.11 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 0.00 2.58 0.77 3.10 2.02 -1.26 -5.13 117.35 119.43 2rq9 s TYR 3 Ca 0.00 -0.24 -0.12 0.00 -0.37 0.00 0.00 57.07 56.34 2rq9 s TYR 3 Cb 0.00 -1.49 0.05 0.00 -0.40 0.00 0.00 41.96 40.12 2rq9 s TYR 3 CO 0.00 0.24 1.12 -1.59 -1.57 0.00 0.00 175.55 173.74 2rq9 s LYS 4 N -1.31 2.36 -0.39 -0.62 -2.85 -1.26 -5.04 119.74 110.62 2rq9 s LYS 4 Ca 0.14 0.43 0.03 0.00 -1.00 0.00 0.00 55.97 55.57 2rq9 s LYS 4 Cb -0.11 -1.97 0.29 0.00 -2.06 0.00 0.00 37.83 33.99 2rq9 s LYS 4 CO 0.05 -1.38 1.18 1.17 0.10 0.00 0.00 175.35 176.46 2rq9 n LYS 5 N -3.24 0.47 -2.55 1.78 4.81 -1.26 -4.71 118.16 113.46 2rq9 n LYS 5 Ca 0.07 -1.19 -0.35 0.00 -0.87 0.00 0.00 58.31 55.98 2rq9 n LYS 5 Cb 0.58 -0.66 -0.04 0.00 0.02 0.00 0.00 35.03 34.93 2rq9 n LYS 5 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 2rq9 s PRO 6 N 0.26 3.89 0.23 1.64 0.04 -1.26 -4.44 135.00 135.35 2rq9 s PRO 6 Ca 0.25 1.39 -0.05 0.00 0.04 0.00 0.00 61.00 62.63 2rq9 s PRO 6 Cb 0.25 -2.19 -0.02 0.00 0.04 0.00 0.00 34.50 32.58 2rq9 s PRO 6 CO -0.15 -0.36 0.28 -1.59 0.04 0.00 0.00 177.00 175.22 2rq9 s LYS 7 N -3.07 1.37 0.07 4.56 0.00 0.01 -3.06 119.74 119.62 2rq9 s LYS 7 Ca 0.65 -1.49 0.05 0.00 0.00 0.00 0.00 55.97 55.17 2rq9 s LYS 7 Cb -0.17 0.36 -0.04 0.00 0.00 0.00 0.00 37.83 37.97 2rq9 s LYS 7 CO 0.21 -0.51 -0.04 -0.51 0.00 0.00 0.00 175.35 174.51 2rq9 s LEU 8 N -3.11 3.30 -0.55 2.77 2.01 -1.14 -3.21 118.68 118.75 2rq9 s LEU 8 Ca 0.32 -0.21 -0.20 0.00 0.01 0.00 0.00 54.13 54.05 2rq9 s LEU 8 Cb 0.04 -2.01 0.06 0.00 0.01 0.00 0.00 46.19 44.29 2rq9 s LEU 8 CO 0.11 0.21 0.74 -0.76 1.01 0.00 0.00 176.35 177.66 2rq9 s LEU 9 N -2.03 4.80 -0.60 1.79 1.02 -1.26 -1.91 118.68 120.49 2rq9 s LEU 9 Ca 0.22 -0.89 -0.27 0.00 0.02 0.00 0.00 54.13 53.21 2rq9 s LEU 9 Cb -0.11 -2.50 -0.01 0.00 0.02 0.00 0.00 46.19 43.59 2rq9 s LEU 9 CO 0.14 -1.05 1.67 -0.47 0.02 0.00 0.00 176.35 176.66 2rq9 s TYR 10 N 3.06 1.90 -1.45 0.29 6.14 0.14 -3.59 117.35 123.84 2rq9 s TYR 10 Ca 0.18 0.57 -0.14 0.00 0.64 0.00 0.00 57.07 58.32 2rq9 s TYR 10 Cb -0.18 -4.24 0.04 0.00 0.42 0.00 0.00 41.96 37.99 2rq9 s TYR 10 CO 0.12 -2.26 2.20 0.00 0.64 0.00 0.00 175.55 176.26 2rq9 n SER 12 N 6.22 0.10 -0.35 0.00 3.41 -1.26 0.22 113.62 121.96 2rq9 n SER 12 Ca 0.52 1.00 0.05 0.00 -0.26 0.00 0.00 58.87 60.18 2rq9 n SER 12 Cb 0.39 -0.49 0.13 0.00 -0.26 0.00 0.00 64.21 63.98 2rq9 n SER 12 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 175.04 173.75 2rq9 h ASN 13 N 0.00 -0.96 0.00 4.04 -1.24 -0.77 -3.12 115.58 113.54 2rq9 h ASN 13 Ca 0.75 0.29 0.00 0.00 0.71 0.00 0.00 56.30 58.05 2rq9 h ASN 13 Cb 2.69 0.62 0.00 0.00 0.73 0.00 0.00 38.32 42.36 2rq9 h ASN 13 CO -0.22 -0.32 -0.16 0.61 -1.29 0.00 0.00 177.43 176.06 2rq9 n GLY 14 N -1.60 -1.52 2.77 1.57 0.00 0.28 -4.88 105.19 101.81 2rq9 n GLY 14 Ca 0.15 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.16 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 0.00 -3.88 3.44 -0.02 0.00 0.60 -4.98 105.19 100.34 2rq9 n GLY 15 Ca 0.00 0.60 -0.11 0.00 0.00 0.00 0.00 46.02 46.50 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 -1.40 -0.43 -0.04 1.61 3.76 -1.24 -4.48 115.29 113.07 2rq9 s HIS 16 Ca -0.04 0.18 0.01 0.00 -0.15 0.00 0.00 55.06 55.06 2rq9 s HIS 16 Cb 0.00 0.51 -0.03 0.00 1.11 0.00 0.00 32.58 34.17 2rq9 s HIS 16 CO 0.68 -0.86 -0.04 -0.06 -0.85 0.00 0.00 174.74 173.61 2rq9 s PHE 17 N -3.78 2.98 -0.40 1.40 0.08 -0.32 -0.62 117.98 117.33 2rq9 s PHE 17 Ca 0.03 0.04 -0.29 0.00 0.12 0.00 0.00 56.93 56.83 2rq9 s PHE 17 Cb -0.01 -1.69 0.02 0.00 -0.57 0.00 0.00 43.02 40.78 2rq9 s PHE 17 CO -0.11 0.39 1.15 -1.17 -0.10 0.00 0.00 175.22 175.38 2rq9 s LEU 18 N -1.13 3.76 0.15 -0.37 2.96 -1.24 -1.77 118.68 121.04 2rq9 s LEU 18 Ca 0.15 0.77 0.10 0.00 -0.22 0.00 0.00 54.13 54.93 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 0.05 -1.12 -0.20 0.00 -1.32 0.00 0.00 176.35 173.76 2rq9 s ARG 19 N 4.18 1.68 -0.18 1.98 1.70 -0.96 -4.70 118.95 122.66 2rq9 s ARG 19 Ca 0.49 -1.32 0.01 0.00 -0.47 0.00 0.00 55.73 54.44 2rq9 s ARG 19 Cb -0.10 -2.01 0.03 0.00 -0.57 0.00 0.00 34.95 32.30 2rq9 s ARG 19 CO 0.25 0.45 -0.11 0.42 -1.08 0.00 0.00 175.30 175.23 2rq9 s ILE 20 N -1.35 1.56 0.59 4.99 1.01 -0.83 -2.78 121.20 124.39 2rq9 s ILE 20 Ca 0.19 -0.83 -0.13 0.00 0.00 0.00 0.00 60.65 59.87 2rq9 s ILE 20 Cb -0.09 -1.59 -0.05 0.00 0.01 0.00 0.00 42.46 40.74 2rq9 s ILE 20 CO 0.10 0.27 1.02 -0.76 0.00 0.00 0.00 174.94 175.57 2rq9 s LEU 21 N 1.45 3.38 0.00 2.97 1.43 0.13 -4.85 118.68 123.20 2rq9 s LEU 21 Ca 0.01 1.54 0.23 0.00 -1.03 0.00 0.00 54.13 54.89 2rq9 s LEU 21 Cb -0.15 -4.49 1.23 0.00 0.03 0.00 0.00 46.19 42.81 2rq9 s LEU 21 CO -0.09 -0.89 1.76 -0.81 0.23 0.00 0.00 176.35 176.55 2rq9 n PRO 22 N -2.32 0.45 -0.21 1.29 -0.04 -1.26 -2.03 135.00 130.87 2rq9 n PRO 22 Ca 0.07 0.05 0.11 0.00 -0.04 0.00 0.00 63.50 63.68 2rq9 n PRO 22 Cb 0.54 -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 -1.20 2.97 -1.27 3.54 8.00 -1.26 -4.92 116.55 122.40 2rq9 n ASP 23 Ca 0.13 -1.94 -0.03 0.00 0.71 0.00 0.00 54.79 53.66 2rq9 n ASP 23 Cb 0.15 -0.28 0.01 0.00 -0.02 0.00 0.00 41.12 40.99 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 1.40 0.44 3.23 0.44 0.00 -0.86 -5.03 105.19 104.81 2rq9 n GLY 24 Ca 0.19 -0.43 -0.23 0.00 0.00 0.00 0.00 46.02 45.55 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 -3.06 1.51 -0.10 2.61 2.01 -1.23 -4.32 115.64 113.06 2rq9 s THR 25 Ca 0.03 -1.30 -0.00 0.00 0.31 0.00 0.00 61.69 60.73 2rq9 s THR 25 Cb -0.01 -1.36 0.02 0.00 0.01 0.00 0.00 72.50 71.17 2rq9 s THR 25 CO 0.12 0.02 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.31 2rq9 s VAL 26 N -1.00 0.94 0.11 3.82 1.01 -1.26 0.22 120.40 124.24 2rq9 s VAL 26 Ca 0.05 -0.24 -0.10 0.00 0.00 0.00 0.00 61.98 61.69 2rq9 s VAL 26 Cb -0.09 -0.97 0.00 0.00 0.00 0.00 0.00 36.38 35.32 2rq9 s VAL 26 CO 0.03 0.35 0.24 -1.81 0.00 0.00 0.00 175.10 173.91 2rq9 s ASP 27 N 1.66 0.06 0.31 3.32 1.01 -1.12 -4.35 116.67 117.56 2rq9 s ASP 27 Ca 0.03 -0.67 -0.08 0.00 0.71 0.00 0.00 52.55 52.54 2rq9 s ASP 27 Cb -0.13 0.38 -0.06 0.00 1.01 0.00 0.00 42.92 44.12 2rq9 s ASP 27 CO -0.07 -0.79 0.63 -0.83 0.21 0.00 0.00 175.17 174.32 2rq9 s GLY 28 N -2.88 1.99 -0.29 0.21 0.00 0.40 -2.28 107.32 104.47 2rq9 s GLY 28 Ca 0.08 -0.37 -0.14 0.00 0.00 0.00 0.00 44.72 44.29 2rq9 s GLY 28 CO -0.08 -0.23 0.75 -1.08 0.00 0.00 0.00 173.10 172.46 2rq9 s THR 29 N -2.11 -0.42 -0.91 0.90 -1.32 -0.73 -4.75 115.64 106.29 2rq9 s THR 29 Ca 0.47 0.00 -0.02 0.00 -1.21 0.00 0.00 61.69 60.93 2rq9 s THR 29 Cb -0.11 -1.00 0.30 0.00 -1.51 0.00 0.00 72.50 70.18 2rq9 s THR 29 CO 0.28 0.00 2.05 -1.14 -2.21 0.00 0.00 174.62 173.60 2rq9 n ARG 30 N 4.73 3.87 -3.37 7.08 0.63 -1.26 -1.17 116.66 127.16 2rq9 n ARG 30 Ca -0.16 -3.84 -0.24 0.00 -0.92 0.00 0.00 57.85 52.69 2rq9 n ARG 30 Cb 0.54 -2.36 -0.10 0.00 0.45 0.00 0.00 32.46 31.00 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 -0.95 1.76 0.35 6.15 2.15 -1.26 -4.99 116.67 119.88 2rq9 s ASP 31 Ca 0.48 -2.29 0.15 0.00 0.43 0.00 0.00 52.55 51.32 2rq9 s ASP 31 Cb 0.32 -0.03 1.15 0.00 -0.30 0.00 0.00 42.92 44.06 2rq9 s ASP 31 CO -0.27 -0.24 1.59 0.03 -0.17 0.00 0.00 175.17 176.12 2rq9 h ARG 32 N 6.47 0.06 -0.96 4.34 -0.00 -2.03 0.55 114.38 122.81 2rq9 h ARG 32 Ca 0.12 -0.00 0.34 0.00 -0.50 0.00 0.00 59.98 59.94 2rq9 h ARG 32 Cb 0.98 -0.01 -0.11 0.00 0.00 0.00 0.00 29.97 30.83 2rq9 h ARG 32 CO 0.26 0.04 0.61 0.45 0.00 0.00 0.00 179.97 181.33 2rq9 n SER 33 N -5.27 0.17 -4.70 7.04 2.88 -1.26 -4.26 113.62 108.21 2rq9 n SER 33 Ca 0.33 1.04 -0.43 0.00 -1.33 0.00 0.00 58.87 58.48 2rq9 n SER 33 Cb 1.10 -0.51 -0.03 0.00 -0.75 0.00 0.00 64.21 64.02 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 -4.23 3.50 -1.57 -3.46 -0.08 0.19 -4.87 116.55 106.02 2rq9 n ASP 34 Ca 0.29 1.11 0.05 0.00 -1.51 0.00 0.00 54.79 54.72 2rq9 n ASP 34 Cb 1.11 -1.52 0.33 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 2.94 3.95 -0.03 -0.67 1.13 -1.26 -4.12 117.38 119.32 2rq9 n GLN 35 Ca 0.13 -3.06 0.04 0.00 -1.94 0.00 0.00 57.00 52.18 2rq9 n GLN 35 Cb 0.33 -2.11 0.06 0.00 0.11 0.00 0.00 30.24 28.63 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 0.05 0.00 -0.10 1.08 8.25 -1.26 -4.60 115.22 118.64 2rq9 n HIS 36 Ca 0.29 -0.70 -0.12 0.00 -0.26 0.00 0.00 57.72 56.92 2rq9 n HIS 36 Cb 1.14 -0.09 -0.12 0.00 1.12 0.00 0.00 29.99 32.04 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 -0.89 1.24 -1.52 1.59 -5.35 -1.26 -1.96 119.36 111.22 2rq9 n ILE 37 Ca 0.07 -0.60 -0.34 0.00 -0.27 0.00 0.00 62.75 61.61 2rq9 n ILE 37 Cb 0.42 -0.96 -0.13 0.00 -1.74 0.00 0.00 39.64 37.24 2rq9 n ILE 37 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2rq9 n GLN 38 N -2.93 0.30 -4.05 6.28 6.02 -1.26 -4.69 117.38 117.05 2rq9 n GLN 38 Ca -0.35 -0.08 -0.32 0.00 -0.01 0.00 0.00 57.00 56.24 2rq9 n GLN 38 Cb 0.98 -2.09 -0.06 0.00 1.02 0.00 0.00 30.24 30.09 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 8.73 3.97 -0.25 1.08 1.43 -1.20 -3.22 118.68 129.22 2rq9 s LEU 39 Ca 1.22 0.15 -0.08 0.00 -1.03 0.00 0.00 54.13 54.39 2rq9 s LEU 39 Cb -0.82 -2.40 -0.03 0.00 0.03 0.00 0.00 46.19 42.97 2rq9 s LEU 39 CO 0.41 0.24 0.08 -1.10 0.23 0.00 0.00 176.35 176.21 2rq9 s GLN 40 N -1.94 3.67 -0.14 1.70 -1.52 0.44 -0.81 119.66 121.06 2rq9 s GLN 40 Ca 0.25 -0.47 -0.09 0.00 -1.95 0.00 0.00 55.36 53.10 2rq9 s GLN 40 Cb -0.12 -3.35 -0.04 0.00 -0.22 0.00 0.00 33.01 29.28 2rq9 s GLN 40 CO 0.17 -0.19 0.18 -0.51 -0.25 0.00 0.00 175.29 174.68 2rq9 s LEU 41 N 1.62 4.33 0.08 2.90 1.02 -1.26 -1.97 118.68 125.41 2rq9 s LEU 41 Ca 0.06 0.45 0.01 0.00 0.02 0.00 0.00 54.13 54.67 2rq9 s LEU 41 Cb -0.15 -2.15 -0.04 0.00 0.02 0.00 0.00 46.19 43.87 2rq9 s LEU 41 CO 0.04 0.31 -0.05 -0.44 0.02 0.00 0.00 176.35 176.23 2rq9 s SER 42 N -0.50 0.88 -0.13 2.29 0.01 -0.30 -4.90 113.70 111.05 2rq9 s SER 42 Ca 0.14 -0.95 0.02 0.00 1.31 0.00 0.00 55.95 56.47 2rq9 s SER 42 Cb -0.12 0.12 0.01 0.00 0.21 0.00 0.00 66.02 66.24 2rq9 s SER 42 CO 0.03 -0.48 -0.19 0.00 0.41 0.00 0.00 173.24 173.02 2rq9 s ALA 43 N -3.46 2.01 -0.19 1.44 0.00 -1.26 0.47 121.76 120.77 2rq9 s ALA 43 Ca 0.08 -0.95 -0.12 0.00 0.00 0.00 0.00 51.96 50.97 2rq9 s ALA 43 Cb 0.04 -0.95 -0.08 0.00 0.00 0.00 0.00 23.12 22.13 2rq9 s ALA 43 CO -0.06 -0.10 -0.28 0.39 0.00 0.00 0.00 175.76 175.72 2rq9 n GLU 44 N 4.21 0.45 -4.35 0.00 -0.58 -1.21 -5.01 120.64 114.15 2rq9 n GLU 44 Ca -0.19 0.19 -0.18 0.00 -0.42 0.00 0.00 57.16 56.56 2rq9 n GLU 44 Cb 0.51 -1.26 -0.10 0.00 -0.57 0.00 0.00 31.44 30.02 2rq9 n GLU 44 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 2rq9 s SER 45 N -6.68 2.32 0.03 1.62 0.01 -1.26 -5.04 113.70 104.71 2rq9 s SER 45 Ca -0.28 -1.11 -0.32 0.00 1.31 0.00 0.00 55.95 55.54 2rq9 s SER 45 Cb 0.09 -0.09 -0.11 0.00 0.21 0.00 0.00 66.02 66.13 2rq9 s SER 45 CO 0.37 -0.33 1.87 0.55 0.41 0.00 0.00 173.24 176.12 2rq9 n VAL 46 N -0.42 0.53 -1.02 3.43 3.14 -1.26 0.12 118.33 122.85 2rq9 n VAL 46 Ca -0.07 -0.10 -0.01 0.00 -2.96 0.00 0.00 64.34 61.21 2rq9 n VAL 46 Cb 0.62 -2.06 -0.00 0.00 -1.06 0.00 0.00 33.84 31.34 2rq9 n VAL 46 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2rq9 n GLY 47 N 4.32 0.48 3.09 7.55 0.00 -1.26 -5.02 105.19 114.34 2rq9 n GLY 47 Ca 0.20 -0.65 -0.25 0.00 0.00 0.00 0.00 46.02 45.32 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 -1.37 1.75 0.01 1.61 2.02 0.12 -3.04 118.70 119.79 2rq9 s GLU 48 Ca 0.00 -0.53 -0.01 0.00 0.02 0.00 0.00 54.97 54.44 2rq9 s GLU 48 Cb 0.00 -1.48 -0.01 0.00 0.10 0.00 0.00 34.13 32.74 2rq9 s GLU 48 CO 0.00 0.16 0.01 0.14 0.02 0.00 0.00 175.26 175.59 2rq9 s VAL 49 N 0.26 0.08 0.04 2.63 -7.23 -0.33 -3.30 120.40 112.55 2rq9 s VAL 49 Ca -0.08 -0.66 0.07 0.00 -1.81 0.00 0.00 61.98 59.50 2rq9 s VAL 49 Cb -0.13 -0.23 -0.03 0.00 0.56 0.00 0.00 36.38 36.55 2rq9 s VAL 49 CO 0.03 -0.36 -0.17 -0.31 -0.31 0.00 0.00 175.10 173.98 2rq9 s TYR 50 N -1.09 2.59 -0.20 2.82 2.02 0.18 -2.22 117.35 121.45 2rq9 s TYR 50 Ca -0.12 -0.24 0.00 0.00 -0.37 0.00 0.00 57.07 56.35 2rq9 s TYR 50 Cb -0.07 -1.47 0.05 0.00 -0.40 0.00 0.00 41.96 40.07 2rq9 s TYR 50 CO -0.00 0.27 -0.07 0.42 -1.57 0.00 0.00 175.55 174.60 2rq9 s ILE 51 N -0.94 1.42 0.01 2.71 1.01 -1.26 -1.15 121.20 123.00 2rq9 s ILE 51 Ca 0.15 -0.95 0.04 0.00 0.00 0.00 0.00 60.65 59.88 2rq9 s ILE 51 Cb -0.11 -1.60 -0.01 0.00 0.01 0.00 0.00 42.46 40.75 2rq9 s ILE 51 CO 0.06 0.06 -0.11 -0.75 0.00 0.00 0.00 174.94 174.19 2rq9 s LYS 52 N 1.48 0.83 0.17 2.79 2.36 -0.83 -0.02 119.74 126.52 2rq9 s LYS 52 Ca -0.02 -0.54 -0.30 0.00 -2.55 0.00 0.00 55.97 52.56 2rq9 s LYS 52 Cb -0.17 -0.80 -0.07 0.00 -1.05 0.00 0.00 37.83 35.74 2rq9 s LYS 52 CO -0.07 0.21 1.01 0.45 1.55 0.00 0.00 175.35 178.49 2rq9 s SER 53 N -0.69 7.45 -0.17 1.43 0.15 -0.31 -0.42 113.70 121.14 2rq9 s SER 53 Ca 0.02 1.95 0.11 0.00 0.70 0.00 0.00 55.95 58.72 2rq9 s SER 53 Cb -0.06 -2.60 0.61 0.00 -1.71 0.00 0.00 66.02 62.26 2rq9 s SER 53 CO 0.00 -0.06 1.43 0.35 1.20 0.00 0.00 173.24 176.16 2rq9 n THR 54 N 2.24 2.00 -0.00 6.45 -2.24 -1.20 -2.95 114.28 118.59 2rq9 n THR 54 Ca 0.01 -1.03 -0.02 0.00 -2.27 0.00 0.00 64.05 60.74 2rq9 n THR 54 Cb 0.47 -0.31 -0.01 0.00 -2.10 0.00 0.00 70.33 68.39 2rq9 n THR 54 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 2rq9 n GLU 55 N 0.49 0.13 -0.06 -0.78 0.00 -1.26 -4.88 120.64 114.29 2rq9 n GLU 55 Ca 0.21 0.05 -0.21 0.00 0.00 0.00 0.00 57.16 57.21 2rq9 n GLU 55 Cb 0.94 -0.62 -0.13 0.00 0.00 0.00 0.00 31.44 31.63 2rq9 n GLU 55 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.13 178.92 2rq9 h THR 56 N -0.24 0.97 0.00 3.84 1.35 -1.89 -3.49 112.91 113.45 2rq9 h THR 56 Ca 0.00 -2.27 0.00 0.00 -0.55 0.00 0.00 66.41 63.59 2rq9 h THR 56 Cb 0.24 2.49 0.00 0.00 -1.73 0.00 0.00 68.15 69.15 2rq9 h THR 56 CO 0.00 0.53 0.00 0.61 -0.25 0.00 0.00 175.52 176.41 2rq9 n GLY 57 N 1.61 1.13 3.57 5.82 0.00 -1.15 -5.08 105.19 111.09 2rq9 n GLY 57 Ca -0.28 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.08 2.44 0.00 1.61 -0.21 -1.26 -4.90 119.66 117.27 2rq9 s GLN 58 Ca 0.00 -0.79 -0.15 0.00 0.02 0.00 0.00 55.36 54.44 2rq9 s GLN 58 Cb 0.00 -2.44 -0.06 0.00 1.00 0.00 0.00 33.01 31.52 2rq9 s GLN 58 CO 0.00 0.58 0.42 0.71 -2.12 0.00 0.00 175.29 174.88 2rq9 s TYR 59 N -1.01 3.73 -0.26 0.91 2.02 -1.22 -1.16 117.35 120.36 2rq9 s TYR 59 Ca 0.17 1.01 -0.29 0.00 -0.37 0.00 0.00 57.07 57.59 2rq9 s TYR 59 Cb -0.11 -2.31 0.00 0.00 -0.40 0.00 0.00 41.96 39.14 2rq9 s TYR 59 CO 0.08 0.63 1.21 -1.17 -1.57 0.00 0.00 175.55 174.74 2rq9 s LEU 60 N -1.05 4.00 0.03 -1.29 2.96 0.97 -1.57 118.68 122.73 2rq9 s LEU 60 Ca 0.24 1.33 0.00 0.00 -0.22 0.00 0.00 54.13 55.49 2rq9 s LEU 60 Cb -0.17 -3.54 -0.02 0.00 0.50 0.00 0.00 46.19 42.96 2rq9 s LEU 60 CO 0.14 -0.90 -0.04 0.00 -1.32 0.00 0.00 176.35 174.23 2rq9 s ALA 61 N 3.84 0.25 -0.25 5.97 0.00 -0.51 -4.31 121.76 126.75 2rq9 s ALA 61 Ca 0.52 -0.68 -0.08 0.00 0.00 0.00 0.00 51.96 51.72 2rq9 s ALA 61 Cb -0.17 0.14 -0.04 0.00 0.00 0.00 0.00 23.12 23.05 2rq9 s ALA 61 CO 0.17 -0.15 0.11 1.41 0.00 0.00 0.00 175.76 177.30 2rq9 s MET 62 N -1.69 3.76 1.14 0.00 1.75 -1.25 -0.18 119.30 122.83 2rq9 s MET 62 Ca -0.13 -0.42 -0.19 0.00 -1.25 0.00 0.00 55.69 53.70 2rq9 s MET 62 Cb -0.09 -3.42 0.28 0.00 2.84 0.00 0.00 34.83 34.45 2rq9 s MET 62 CO -0.01 -0.16 1.10 -0.40 -0.65 0.00 0.00 175.02 174.90 2rq9 n ASP 63 N 4.88 -1.65 0.00 1.11 5.68 -0.20 -4.90 116.55 121.47 2rq9 n ASP 63 Ca -0.16 -1.21 0.14 0.00 -0.50 0.00 0.00 54.79 53.06 2rq9 n ASP 63 Cb 0.52 -0.97 0.69 0.00 -1.14 0.00 0.00 41.12 40.21 2rq9 n ASP 63 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 2rq9 n THR 64 N -4.60 0.10 0.47 2.12 -2.24 -1.26 -2.48 114.28 106.39 2rq9 n THR 64 Ca 0.15 0.03 0.12 0.00 -2.27 0.00 0.00 64.05 62.08 2rq9 n THR 64 Cb 0.57 -0.57 0.20 0.00 -2.10 0.00 0.00 70.33 68.43 2rq9 n THR 64 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 2rq9 h ASP 65 N 0.00 0.00 0.00 3.42 5.19 -2.03 -3.47 116.42 119.53 2rq9 h ASP 65 Ca 0.00 -0.10 0.00 0.00 -0.62 0.00 0.00 57.03 56.31 2rq9 h ASP 65 Cb 0.28 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.79 2rq9 h ASP 65 CO 0.00 0.05 0.00 0.61 -3.12 0.00 0.00 179.24 176.78 2rq9 n GLY 66 N 1.28 0.12 3.89 2.75 0.00 -1.04 -4.71 105.19 107.48 2rq9 n GLY 66 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 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 3.72 0.03 0.99 2.01 -1.26 -1.68 118.68 122.49 2rq9 s LEU 67 Ca 0.00 1.00 -0.08 0.00 0.01 0.00 0.00 54.13 55.06 2rq9 s LEU 67 Cb 0.00 -3.92 -0.05 0.00 0.01 0.00 0.00 46.19 42.23 2rq9 s LEU 67 CO 0.00 -0.49 0.31 -0.76 1.01 0.00 0.00 176.35 176.42 2rq9 s LEU 68 N -4.34 4.37 0.13 1.79 1.43 -1.26 -1.03 118.68 119.77 2rq9 s LEU 68 Ca 0.49 0.65 -0.15 0.00 -1.03 0.00 0.00 54.13 54.08 2rq9 s LEU 68 Cb -0.10 -2.74 0.03 0.00 0.03 0.00 0.00 46.19 43.40 2rq9 s LEU 68 CO 0.39 0.24 0.40 -0.72 0.23 0.00 0.00 176.35 176.88 2rq9 s TYR 69 N -1.31 -0.14 -0.21 0.29 -0.85 0.74 -4.10 117.35 111.77 2rq9 s TYR 69 Ca 0.29 -0.19 -0.21 0.00 -0.52 0.00 0.00 57.07 56.44 2rq9 s TYR 69 Cb -0.14 0.24 -0.02 0.00 0.38 0.00 0.00 41.96 42.42 2rq9 s TYR 69 CO 0.16 -0.72 0.64 0.20 -1.52 0.00 0.00 175.55 174.31 2rq9 s GLY 70 N -2.82 1.99 0.12 5.49 0.00 -1.26 -1.43 107.32 109.41 2rq9 s GLY 70 Ca 0.04 -0.30 -0.22 0.00 0.00 0.00 0.00 44.72 44.24 2rq9 s GLY 70 CO -0.10 1.36 0.67 -0.45 0.00 0.00 0.00 173.10 174.58 2rq9 s SER 71 N 1.27 7.22 0.23 1.64 0.15 -0.60 -4.84 113.70 118.76 2rq9 s SER 71 Ca 0.28 1.45 0.01 0.00 0.70 0.00 0.00 55.95 58.39 2rq9 s SER 71 Cb -0.16 -2.43 0.24 0.00 -1.71 0.00 0.00 66.02 61.97 2rq9 s SER 71 CO 0.10 0.24 1.58 -0.61 1.20 0.00 0.00 173.24 175.75 2rq9 h GLN 72 N 4.46 0.41 -6.14 5.44 4.15 -1.94 -3.24 115.11 118.25 2rq9 h GLN 72 Ca -0.48 -0.24 -0.58 0.00 0.77 0.00 0.00 58.65 58.12 2rq9 h GLN 72 Cb 1.21 0.02 -0.15 0.00 0.21 0.00 0.00 27.48 28.76 2rq9 h GLN 72 CO 0.65 0.82 -0.77 0.95 -1.93 0.00 0.00 178.83 178.54 2rq9 s THR 73 N -4.02 2.25 -0.36 2.39 -4.23 -1.26 -4.98 115.64 105.42 2rq9 s THR 73 Ca -0.06 -2.25 -0.29 0.00 -1.18 0.00 0.00 61.69 57.92 2rq9 s THR 73 Cb 0.12 -2.17 0.00 0.00 1.34 0.00 0.00 72.50 71.80 2rq9 s THR 73 CO 0.81 -0.37 1.38 -2.16 -0.54 0.00 0.00 174.62 173.74 2rq9 s PRO 74 N -3.29 3.72 0.14 3.99 0.04 -1.26 -4.94 135.00 133.39 2rq9 s PRO 74 Ca 0.25 1.09 0.07 0.00 0.04 0.00 0.00 61.00 62.46 2rq9 s PRO 74 Cb -0.05 -3.97 -0.04 0.00 0.04 0.00 0.00 34.50 30.48 2rq9 s PRO 74 CO 0.12 -1.38 -0.17 -0.80 0.04 0.00 0.00 177.00 174.81 2rq9 s ASN 75 N 3.51 2.36 0.62 6.66 0.01 -1.26 -5.00 114.94 121.84 2rq9 s ASN 75 Ca 0.60 -0.82 0.26 0.00 -0.71 0.00 0.00 52.86 52.18 2rq9 s ASN 75 Cb -0.15 -0.12 1.24 0.00 0.41 0.00 0.00 41.25 42.63 2rq9 s ASN 75 CO 0.29 -0.07 1.68 -0.33 -1.51 0.00 0.00 177.10 177.16 2rq9 h GLU 76 N 3.45 0.00 0.00 -0.60 5.08 -1.94 1.49 114.58 122.06 2rq9 h GLU 76 Ca -0.41 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 57.92 2rq9 h GLU 76 Cb 1.20 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.45 2rq9 h GLU 76 CO 0.50 0.00 -0.10 0.93 -1.00 0.00 0.00 179.01 179.34 2rq9 h GLU 77 N 0.00 0.00 0.00 2.33 5.08 -1.95 0.83 114.58 120.86 2rq9 h GLU 77 Ca 0.20 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 2rq9 h GLU 77 Cb 1.52 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.77 2rq9 h GLU 77 CO -0.00 0.10 -0.23 0.00 -1.00 0.00 0.00 179.01 177.88 2rq9 s LEU 79 N -4.92 4.29 0.24 0.00 2.96 0.28 -4.29 118.68 117.25 2rq9 s LEU 79 Ca 0.08 1.11 0.05 0.00 -0.22 0.00 0.00 54.13 55.15 2rq9 s LEU 79 Cb 0.11 -3.02 -0.05 0.00 0.50 0.00 0.00 46.19 43.72 2rq9 s LEU 79 CO 0.66 -0.12 -0.04 -0.36 -1.32 0.00 0.00 176.35 175.16 2rq9 s PHE 80 N 0.90 1.71 -0.17 5.38 0.40 -0.94 -0.15 117.98 125.12 2rq9 s PHE 80 Ca 0.35 -0.79 -0.07 0.00 -0.60 0.00 0.00 56.93 55.83 2rq9 s PHE 80 Cb -0.17 -0.97 -0.04 0.00 0.51 0.00 0.00 43.02 42.35 2rq9 s PHE 80 CO 0.16 0.13 0.05 -0.51 0.70 0.00 0.00 175.22 175.76 2rq9 s LEU 81 N -3.35 3.79 0.02 -0.37 2.01 0.50 -1.18 118.68 120.09 2rq9 s LEU 81 Ca 0.27 0.10 0.03 0.00 0.01 0.00 0.00 54.13 54.54 2rq9 s LEU 81 Cb 0.04 -1.95 -0.04 0.00 0.01 0.00 0.00 46.19 44.26 2rq9 s LEU 81 CO 0.09 0.21 -0.03 -0.70 1.01 0.00 0.00 176.35 176.93 2rq9 s GLU 82 N 0.18 2.65 0.15 1.70 -6.30 -1.17 -1.25 118.70 114.66 2rq9 s GLU 82 Ca 0.04 -0.69 -0.09 0.00 -2.50 0.00 0.00 54.97 51.73 2rq9 s GLU 82 Cb -0.12 -2.58 -0.00 0.00 0.00 0.00 0.00 34.13 31.42 2rq9 s GLU 82 CO 0.01 0.60 0.27 0.50 0.02 0.00 0.00 175.26 176.66 2rq9 s ARG 83 N -1.62 1.09 -0.21 4.30 3.52 -1.15 -4.79 118.95 120.09 2rq9 s ARG 83 Ca 0.19 -1.10 -0.08 0.00 -0.13 0.00 0.00 55.73 54.61 2rq9 s ARG 83 Cb -0.11 0.38 -0.04 0.00 -1.56 0.00 0.00 34.95 33.61 2rq9 s ARG 83 CO 0.10 -0.39 0.09 -1.17 -0.81 0.00 0.00 175.30 173.13 2rq9 s LEU 84 N -2.94 3.88 0.36 -0.88 1.98 -1.26 -2.94 118.68 116.88 2rq9 s LEU 84 Ca 0.14 0.07 0.05 0.00 -2.89 0.00 0.00 54.13 51.49 2rq9 s LEU 84 Cb 0.04 -2.00 -0.01 0.00 0.66 0.00 0.00 46.19 44.87 2rq9 s LEU 84 CO -0.03 0.12 0.52 -1.61 -1.89 0.00 0.00 176.35 173.46 2rq9 s GLU 85 N 0.69 3.14 -0.31 1.98 0.41 -0.77 -4.99 118.70 118.84 2rq9 s GLU 85 Ca 0.05 -0.83 -0.01 0.00 -0.41 0.00 0.00 54.97 53.77 2rq9 s GLU 85 Cb -0.13 -2.75 0.19 0.00 -1.78 0.00 0.00 34.13 29.67 2rq9 s GLU 85 CO 0.02 0.00 2.07 0.39 -0.49 0.00 0.00 175.26 177.25 2rq9 n GLU 86 N -1.75 1.80 -0.48 1.61 1.02 -1.26 -3.46 120.64 118.12 2rq9 n GLU 86 Ca -0.01 -1.54 0.00 0.00 -0.02 0.00 0.00 57.16 55.60 2rq9 n GLU 86 Cb 0.58 -1.62 0.00 0.00 -0.02 0.00 0.00 31.44 30.38 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 0.44 0.00 -1.56 1.62 4.13 -1.26 -4.97 115.26 113.67 2rq9 n ASN 87 Ca 0.30 -1.79 -0.19 0.00 1.68 0.00 0.00 54.58 54.59 2rq9 n ASN 87 Cb 0.57 -0.16 -0.07 0.00 -1.54 0.00 0.00 39.78 38.59 2rq9 n ASN 87 CO 0.00 0.00 0.00 1.57 0.28 0.00 0.00 177.26 179.11 2rq9 n HIS 88 N 0.00 -0.16 -4.40 3.10 -0.00 -1.22 -4.96 115.22 107.57 2rq9 n HIS 88 Ca 0.00 0.00 -0.24 0.00 0.46 0.00 0.00 57.72 57.94 2rq9 n HIS 88 Cb 0.66 -3.25 -0.09 0.00 -0.12 0.00 0.00 29.99 27.19 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 -2.74 2.46 0.21 1.57 2.02 -1.26 -4.91 117.35 114.70 2rq9 s TYR 89 Ca 0.00 -0.32 0.09 0.00 -0.37 0.00 0.00 57.07 56.47 2rq9 s TYR 89 Cb 0.00 -1.14 -0.04 0.00 -0.40 0.00 0.00 41.96 40.37 2rq9 s TYR 89 CO 0.00 0.65 -0.08 -0.80 -1.57 0.00 0.00 175.55 173.74 2rq9 s ASN 90 N -3.59 4.25 0.12 2.29 -0.87 0.25 -1.85 114.94 115.52 2rq9 s ASN 90 Ca 0.31 -0.65 0.05 0.00 -1.57 0.00 0.00 52.86 51.00 2rq9 s ASN 90 Cb -0.04 -0.70 -0.04 0.00 -0.02 0.00 0.00 41.25 40.45 2rq9 s ASN 90 CO 0.17 0.07 -0.11 0.42 -2.57 0.00 0.00 177.10 175.08 2rq9 s THR 91 N -1.95 1.12 -0.02 1.60 -4.23 -1.15 0.95 115.64 111.96 2rq9 s THR 91 Ca 0.27 -1.80 -0.00 0.00 -1.18 0.00 0.00 61.69 58.98 2rq9 s THR 91 Cb -0.08 -1.57 0.02 0.00 1.34 0.00 0.00 72.50 72.22 2rq9 s THR 91 CO 0.16 -0.58 0.03 -0.31 -0.54 0.00 0.00 174.62 173.39 2rq9 s TYR 92 N -2.65 0.00 0.00 3.99 2.02 -1.25 -2.94 117.35 116.52 2rq9 s TYR 92 Ca 0.10 0.13 0.04 0.00 -0.37 0.00 0.00 57.07 56.97 2rq9 s TYR 92 Cb -0.02 -0.16 -0.01 0.00 -0.40 0.00 0.00 41.96 41.37 2rq9 s TYR 92 CO 0.01 -0.07 -0.12 0.42 -1.57 0.00 0.00 175.55 174.21 2rq9 s ILE 93 N 0.78 0.97 0.31 2.71 1.01 -0.38 -2.80 121.20 123.80 2rq9 s ILE 93 Ca -0.06 -0.64 -0.29 0.00 0.00 0.00 0.00 60.65 59.65 2rq9 s ILE 93 Cb -0.09 -0.84 -0.10 0.00 0.01 0.00 0.00 42.46 41.44 2rq9 s ILE 93 CO -0.02 0.19 1.30 -0.55 0.00 0.00 0.00 174.94 175.86 2rq9 s SER 94 N -0.52 6.81 0.00 3.58 0.15 -1.25 0.19 113.70 122.67 2rq9 s SER 94 Ca 0.04 2.62 -0.09 0.00 0.70 0.00 0.00 55.95 59.22 2rq9 s SER 94 Cb -0.05 -2.64 -0.05 0.00 -1.71 0.00 0.00 66.02 61.56 2rq9 s SER 94 CO -0.00 -0.52 0.81 0.50 1.20 0.00 0.00 173.24 175.24 2rq9 h LYS 95 N 3.78 -0.31 -0.88 5.44 3.64 -0.72 0.54 116.57 128.06 2rq9 h LYS 95 Ca -0.48 0.02 0.25 0.00 -1.27 0.00 0.00 60.65 59.18 2rq9 h LYS 95 Cb 1.22 0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 33.08 2rq9 h LYS 95 CO 0.68 -0.21 0.79 0.87 -2.27 0.00 0.00 179.45 179.31 2rq9 h LYS 96 N -0.44 0.00 -1.61 1.90 1.57 -1.78 0.33 116.57 116.55 2rq9 h LYS 96 Ca -0.03 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 58.19 2rq9 h LYS 96 Cb 0.25 0.00 -0.42 0.00 0.08 0.00 0.00 32.23 32.14 2rq9 h LYS 96 CO 0.05 0.00 -0.78 0.72 -0.57 0.00 0.00 179.45 178.87 2rq9 n HIS 97 N -3.81 3.17 -0.02 -1.35 8.25 -1.10 -4.74 115.22 115.63 2rq9 n HIS 97 Ca 0.19 -3.25 -0.18 0.00 -0.26 0.00 0.00 57.72 54.21 2rq9 n HIS 97 Cb 1.08 -0.20 -0.14 0.00 1.12 0.00 0.00 29.99 31.86 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 -0.37 1.08 0.29 -1.41 0.00 0.19 -3.73 120.51 116.57 2rq9 n ALA 98 Ca 0.34 -0.69 0.16 0.00 0.00 0.00 0.00 53.44 53.24 2rq9 n ALA 98 Cb 0.63 -0.65 0.55 0.00 0.00 0.00 0.00 19.45 19.98 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 0.05 0.00 -0.00 0.00 5.08 -1.83 -1.93 114.58 115.94 2rq9 h GLU 99 Ca -0.41 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.95 2rq9 h GLU 99 Cb 2.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.28 2rq9 h GLU 99 CO 0.07 0.00 -0.02 1.63 -1.00 0.00 0.00 179.01 179.69 2rq9 n LYS 100 N -2.96 0.81 -3.63 2.33 5.02 -1.25 -4.93 118.16 113.54 2rq9 n LYS 100 Ca 0.02 -0.12 -0.25 0.00 -2.02 0.00 0.00 58.31 55.94 2rq9 n LYS 100 Cb 0.35 -1.50 0.02 0.00 -0.02 0.00 0.00 35.03 33.88 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 -0.99 -5.56 -4.45 4.39 4.13 -0.73 -4.84 115.26 107.20 2rq9 n ASN 101 Ca 0.19 -0.85 -0.33 0.00 1.68 0.00 0.00 54.58 55.26 2rq9 n ASN 101 Cb 0.20 -3.08 -0.13 0.00 -1.54 0.00 0.00 39.78 35.23 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 -3.24 2.90 0.05 3.10 0.51 -1.24 -4.67 118.94 116.35 2rq9 s TRP 102 Ca 0.25 -0.39 0.07 0.00 -2.12 0.00 0.00 56.10 53.90 2rq9 s TRP 102 Cb -0.10 -1.86 -0.03 0.00 -0.81 0.00 0.00 33.47 30.67 2rq9 s TRP 102 CO 0.86 -0.05 -0.15 -0.06 -0.51 0.00 0.00 176.95 177.04 2rq9 s PHE 103 N 0.13 2.63 0.00 -1.98 0.40 -1.23 -3.82 117.98 114.10 2rq9 s PHE 103 Ca -0.04 -0.21 0.00 0.00 -0.60 0.00 0.00 56.93 56.08 2rq9 s PHE 103 Cb -0.14 -1.46 0.00 0.00 0.51 0.00 0.00 43.02 41.92 2rq9 s PHE 103 CO 0.04 0.31 0.00 0.28 0.70 0.00 0.00 175.22 176.55 2rq9 n VAL 104 N 1.33 0.00 -1.14 -0.44 0.31 -1.12 -4.42 118.33 112.85 2rq9 n VAL 104 Ca -0.16 0.31 0.12 0.00 -0.01 0.00 0.00 64.34 64.61 2rq9 n VAL 104 Cb 0.52 -1.07 -0.05 0.00 -0.91 0.00 0.00 33.84 32.33 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 0.76 -1.78 2.86 2.92 0.00 -1.23 -3.73 105.19 104.99 2rq9 n GLY 105 Ca 0.00 -0.71 -0.15 0.00 0.00 0.00 0.00 46.02 45.17 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 -5.86 1.62 0.00 0.99 1.43 -1.25 -2.35 118.68 113.26 2rq9 s LEU 106 Ca 0.00 -0.02 -0.06 0.00 -1.03 0.00 0.00 54.13 53.02 2rq9 s LEU 106 Cb 0.00 -0.13 0.09 0.00 0.03 0.00 0.00 46.19 46.18 2rq9 s LEU 106 CO 0.00 -0.04 0.21 0.29 0.23 0.00 0.00 176.35 177.04 2rq9 n LYS 107 N 3.53 -1.42 0.00 1.70 5.02 0.56 -4.63 118.16 122.92 2rq9 n LYS 107 Ca -0.19 -0.35 0.13 0.00 -2.02 0.00 0.00 58.31 55.88 2rq9 n LYS 107 Cb 0.55 -0.56 0.37 0.00 -0.02 0.00 0.00 35.03 35.37 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 -1.95 0.49 -0.16 1.97 4.81 -1.26 -3.34 118.16 118.72 2rq9 n LYS 108 Ca 0.03 -0.27 0.09 0.00 -0.87 0.00 0.00 58.31 57.30 2rq9 n LYS 108 Cb 0.14 -1.49 0.27 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 -1.02 2.18 -1.21 3.14 4.13 -1.26 -4.89 115.26 116.33 2rq9 n ASN 109 Ca 0.10 -1.88 -0.07 0.00 1.68 0.00 0.00 54.58 54.41 2rq9 n ASN 109 Cb 0.33 -0.21 0.02 0.00 -1.54 0.00 0.00 39.78 38.38 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 1.20 0.38 3.39 7.41 0.00 -1.21 -4.93 105.19 111.43 2rq9 n GLY 110 Ca 0.16 -0.47 -0.20 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.97 2.34 0.18 1.61 0.01 -1.26 0.15 113.70 113.76 2rq9 s SER 111 Ca 0.12 -1.23 -0.30 0.00 1.31 0.00 0.00 55.95 55.86 2rq9 s SER 111 Cb -0.05 -0.09 -0.08 0.00 0.21 0.00 0.00 66.02 66.01 2rq9 s SER 111 CO 0.15 -0.44 1.17 0.00 0.41 0.00 0.00 173.24 174.53 2rq9 s LYS 113 N -0.21 4.34 0.46 0.00 2.20 -0.99 -4.59 119.74 120.95 2rq9 s LYS 113 Ca 0.52 0.52 -0.16 0.00 -0.36 0.00 0.00 55.97 56.49 2rq9 s LYS 113 Cb -0.32 -3.45 -0.14 0.00 -1.51 0.00 0.00 37.83 32.42 2rq9 s LYS 113 CO 0.36 0.11 -0.11 0.54 -0.36 0.00 0.00 175.35 175.88 2rq9 n ARG 114 N 3.81 0.00 -0.00 4.03 3.00 -1.26 -4.76 116.66 121.49 2rq9 n ARG 114 Ca -0.06 0.00 -0.17 0.00 -0.01 0.00 0.00 57.85 57.61 2rq9 n ARG 114 Cb 0.51 -0.91 -0.13 0.00 0.00 0.00 0.00 32.46 31.93 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 -0.00 0.23 0.66 -0.13 0.00 -1.53 -3.23 103.07 99.07 2rq9 h GLY 115 Ca -0.37 -0.53 0.00 0.00 0.00 0.00 0.00 47.33 46.42 2rq9 h GLY 115 CO 0.38 0.47 0.00 -1.55 0.00 0.00 0.00 176.54 175.84 2rq9 n PRO 116 N -4.33 0.75 -2.18 4.80 -0.04 -1.26 -3.03 135.00 129.71 2rq9 n PRO 116 Ca -0.12 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.09 2rq9 n PRO 116 Cb 0.66 -1.33 0.01 0.00 -0.04 0.00 0.00 33.50 32.80 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 -0.83 3.51 -4.48 0.54 5.12 -1.22 -5.03 116.66 114.27 2rq9 n ARG 117 Ca 0.12 -4.27 -0.23 0.00 -1.93 0.00 0.00 57.85 51.54 2rq9 n ARG 117 Cb 0.05 -2.27 -0.11 0.00 -1.16 0.00 0.00 32.46 28.98 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 -4.98 1.68 0.04 0.55 -4.23 -1.17 -4.74 115.64 102.79 2rq9 s THR 118 Ca 0.50 -2.08 -0.27 0.00 -1.18 0.00 0.00 61.69 58.66 2rq9 s THR 118 Cb 0.41 -2.65 0.09 0.00 1.34 0.00 0.00 72.50 71.69 2rq9 s THR 118 CO -0.06 -0.16 1.22 -1.00 -0.54 0.00 0.00 174.62 174.07 2rq9 s HIS 119 N -2.97 0.02 -0.21 3.99 3.76 -1.26 -4.95 115.29 113.67 2rq9 s HIS 119 Ca 0.33 -0.21 -0.19 0.00 -0.15 0.00 0.00 55.06 54.83 2rq9 s HIS 119 Cb 0.06 0.60 -0.03 0.00 1.11 0.00 0.00 32.58 34.31 2rq9 s HIS 119 CO 0.14 -0.45 0.54 -0.47 -0.85 0.00 0.00 174.74 173.65 2rq9 s TYR 120 N -2.15 3.36 0.00 1.40 5.04 -1.26 -3.98 117.35 119.77 2rq9 s TYR 120 Ca 0.25 0.79 0.00 0.00 -2.44 0.00 0.00 57.07 55.66 2rq9 s TYR 120 Cb -0.00 -2.70 0.00 0.00 0.35 0.00 0.00 41.96 39.61 2rq9 s TYR 120 CO 0.00 -0.13 0.00 0.41 -1.34 0.00 0.00 175.55 174.49 2rq9 n GLY 121 N 3.92 1.40 3.83 8.97 0.00 -1.26 -5.12 105.19 116.94 2rq9 n GLY 121 Ca -0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.64 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 4.11 -0.24 1.61 -0.21 -1.26 -4.96 119.66 118.72 2rq9 s GLN 122 Ca 0.00 0.76 0.04 0.00 0.02 0.00 0.00 55.36 56.19 2rq9 s GLN 122 Cb 0.00 -2.61 0.45 0.00 1.00 0.00 0.00 33.01 31.84 2rq9 s GLN 122 CO 0.00 0.25 1.48 1.17 -2.12 0.00 0.00 175.29 176.07 2rq9 n LYS 123 N 0.09 2.31 -0.12 2.91 4.81 -1.26 -3.94 118.16 122.96 2rq9 n LYS 123 Ca 0.01 -1.91 -0.22 0.00 -0.87 0.00 0.00 58.31 55.32 2rq9 n LYS 123 Cb 0.52 -1.81 -0.09 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 -0.24 1.45 0.24 3.14 0.00 -1.26 -0.07 120.51 123.77 2rq9 n ALA 124 Ca 0.31 -0.98 0.08 0.00 0.00 0.00 0.00 53.44 52.86 2rq9 n ALA 124 Cb 1.11 0.10 0.60 0.00 0.00 0.00 0.00 19.45 21.27 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 -0.54 0.91 -3.41 0.00 3.07 -1.89 -3.25 117.51 112.40 2rq9 h ILE 125 Ca -0.58 -0.55 -0.52 0.00 1.55 0.00 0.00 64.86 64.76 2rq9 h ILE 125 Cb 1.64 1.31 0.03 0.00 -0.27 0.00 0.00 36.82 39.53 2rq9 h ILE 125 CO -0.26 0.15 0.62 -0.76 -1.05 0.00 0.00 178.15 176.84 2rq9 s LEU 126 N -8.15 4.43 0.05 0.16 1.43 -1.26 -4.28 118.68 111.06 2rq9 s LEU 126 Ca -0.04 2.33 0.01 0.00 -1.03 0.00 0.00 54.13 55.40 2rq9 s LEU 126 Cb 0.15 -3.61 -0.03 0.00 0.03 0.00 0.00 46.19 42.73 2rq9 s LEU 126 CO 0.65 -0.47 -0.06 -0.36 0.23 0.00 0.00 176.35 176.34 2rq9 s PHE 127 N 0.09 0.61 -0.21 0.29 0.08 0.27 -4.25 117.98 114.87 2rq9 s PHE 127 Ca 0.55 -0.72 -0.03 0.00 0.12 0.00 0.00 56.93 56.86 2rq9 s PHE 127 Cb -0.35 -0.38 0.06 0.00 -0.57 0.00 0.00 43.02 41.78 2rq9 s PHE 127 CO 0.37 -0.18 0.04 -1.17 -0.10 0.00 0.00 175.22 174.18 2rq9 s LEU 128 N -2.18 1.28 -0.10 -0.37 2.96 -1.05 0.84 118.68 120.06 2rq9 s LEU 128 Ca -0.03 -0.90 -0.30 0.00 -0.22 0.00 0.00 54.13 52.69 2rq9 s LEU 128 Cb -0.03 -0.63 -0.03 0.00 0.50 0.00 0.00 46.19 46.01 2rq9 s LEU 128 CO -0.03 -0.31 1.25 -2.16 -1.32 0.00 0.00 176.35 173.77 2rq9 s PRO 129 N 1.83 4.29 -0.10 0.98 0.04 -1.24 -0.69 135.00 140.11 2rq9 s PRO 129 Ca -0.00 1.69 -0.05 0.00 0.04 0.00 0.00 61.00 62.68 2rq9 s PRO 129 Cb -0.17 -3.66 -0.04 0.00 0.04 0.00 0.00 34.50 30.67 2rq9 s PRO 129 CO -0.10 -0.58 0.08 -0.51 0.04 0.00 0.00 177.00 175.93 2rq9 s LEU 130 N 2.85 4.03 -0.57 -3.56 2.01 -0.80 -4.89 118.68 117.75 2rq9 s LEU 130 Ca 0.56 0.33 -0.28 0.00 0.01 0.00 0.00 54.13 54.75 2rq9 s LEU 130 Cb -0.24 -1.96 0.01 0.00 0.01 0.00 0.00 46.19 44.01 2rq9 s LEU 130 CO 0.19 0.40 1.51 -2.16 1.01 0.00 0.00 176.35 177.29 2rq9 s PRO 131 N -0.97 3.17 0.00 1.29 0.04 -1.26 -2.91 135.00 134.36 2rq9 s PRO 131 Ca 0.14 0.47 0.24 0.00 0.04 0.00 0.00 61.00 61.90 2rq9 s PRO 131 Cb -0.12 -4.18 0.28 0.00 0.04 0.00 0.00 34.50 30.52 2rq9 s PRO 131 CO 0.03 -2.10 1.27 1.55 0.04 0.00 0.00 177.00 177.79 2rq9 n VAL 132 N 6.91 0.00 0.00 -0.36 3.14 -1.17 -4.92 118.33 121.92 2rq9 n VAL 132 Ca 0.14 -0.18 0.00 0.00 -2.96 0.00 0.00 64.34 61.34 2rq9 n VAL 132 Cb 0.50 0.87 0.00 0.00 -1.06 0.00 0.00 33.84 34.14 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 -0.45 0.00 -1.57 6.55 2.88 -1.25 -5.00 113.62 114.78 2rq9 n SER 133 Ca 0.10 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.62 2rq9 n SER 133 Cb 0.41 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.87 2rq9 n SER 133 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2rq9 n SER 134 N 0.00 -0.63 0.00 -3.46 3.41 -1.26 -4.00 113.62 107.68 2rq9 n SER 134 Ca 0.00 -1.40 0.00 0.00 -0.26 0.00 0.00 58.87 57.21 2rq9 n SER 134 Cb 0.00 1.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.98 2rq9 n SER 134 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2rq9 n ASP 135 N -1.04 0.00 0.00 4.04 2.03 -1.26 -4.88 116.55 115.44 2rq9 n ASP 135 Ca -0.02 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.29 2rq9 n ASP 135 Cb 0.17 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.57 2rq9 n ASP 135 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 2rq9 n LEU 136 N 0.00 0.00 -4.01 -2.67 7.94 -1.26 -4.72 117.00 112.29 2rq9 n LEU 136 Ca 0.00 0.00 -0.42 0.00 -1.11 0.00 0.00 56.01 54.48 2rq9 n LEU 136 Cb 0.00 0.00 -0.02 0.00 0.53 0.00 0.00 43.42 43.93 2rq9 n LEU 136 CO 0.00 -0.13 -0.12 -0.62 -1.11 0.00 0.00 177.39 175.41 2rq9 n GLU 137 N 0.00 0.00 -2.89 1.96 1.02 -1.26 -4.95 120.64 114.52 2rq9 n GLU 137 Ca 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 57.16 57.10 2rq9 n GLU 137 Cb 0.00 -0.92 -0.00 0.00 -0.02 0.00 0.00 31.44 30.50 2rq9 n GLU 137 CO 0.00 0.00 0.00 -3.38 1.18 0.00 0.00 177.13 174.93 2rq9 s HIS 138 N -1.10 -1.48 -0.13 -0.32 -3.43 -1.26 -5.03 115.29 102.55 2rq9 s HIS 138 Ca 0.57 -0.50 -0.07 0.00 -0.80 0.00 0.00 55.06 54.27 2rq9 s HIS 138 Cb -0.77 0.24 -0.04 0.00 -1.43 0.00 0.00 32.58 30.58 2rq9 s HIS 138 CO 0.53 -1.23 -0.03 1.25 -2.00 0.00 0.00 174.74 173.26 2rq9 h HIS 139 N 5.47 0.00 -4.83 0.38 6.17 -2.00 -3.50 115.15 116.84 2rq9 h HIS 139 Ca 0.07 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.15 2rq9 h HIS 139 Cb 1.11 0.00 -0.05 0.00 2.52 0.00 0.00 27.41 30.99 2rq9 h HIS 139 CO 0.12 0.13 -1.12 0.72 0.71 0.00 0.00 177.93 178.50 2rq9 n HIS 140 N -4.68 -3.76 -0.68 5.26 8.25 -1.26 -4.95 115.22 113.41 2rq9 n HIS 140 Ca -0.05 1.90 -0.32 0.00 -0.26 0.00 0.00 57.72 58.98 2rq9 n HIS 140 Cb 0.18 -3.71 0.17 0.00 1.12 0.00 0.00 29.99 27.74 2rq9 n HIS 140 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2rq9 n HIS 141 N 1.00 -1.42 -3.62 4.41 -0.00 -1.26 -5.04 115.22 109.29 2rq9 n HIS 141 Ca -0.16 0.16 -0.12 0.00 0.46 0.00 0.00 57.72 58.05 2rq9 n HIS 141 Cb 0.25 -1.54 -0.05 0.00 -0.12 0.00 0.00 29.99 28.52 2rq9 n HIS 141 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2rq9 s HIS 142 N -2.22 -0.31 0.00 1.57 2.46 -1.26 -5.31 115.29 110.23 2rq9 s HIS 142 Ca 0.55 0.21 0.00 0.00 0.47 0.00 0.00 55.06 56.29 2rq9 s HIS 142 Cb -0.10 0.28 0.00 0.00 -0.13 0.00 0.00 32.58 32.63 2rq9 s HIS 142 CO 0.66 -0.64 0.00 1.58 -2.47 0.00 0.00 174.74 173.87