#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 1.31 -0.11 6.12 -0.87 -1.26 -5.12 114.94 115.01 2rq9 s ASN 2 Ca 0.00 -0.02 -0.04 0.00 -1.57 0.00 0.00 52.86 51.23 2rq9 s ASN 2 Cb 0.00 -0.09 0.06 0.00 -0.02 0.00 0.00 41.25 41.19 2rq9 s ASN 2 CO 0.00 -0.27 0.19 -0.72 -2.57 0.00 0.00 177.10 173.73 2rq9 s TYR 3 N 2.18 -0.24 -0.39 2.20 1.13 -1.26 -5.03 117.35 115.94 2rq9 s TYR 3 Ca 0.04 0.63 0.07 0.00 -1.41 0.00 0.00 57.07 56.40 2rq9 s TYR 3 Cb -0.13 -0.23 0.43 0.00 -1.10 0.00 0.00 41.96 40.94 2rq9 s TYR 3 CO -0.05 -0.33 1.11 1.63 -2.51 0.00 0.00 175.55 175.40 2rq9 n LYS 4 N 5.33 3.18 -4.20 -3.49 5.02 -1.26 -4.63 118.16 118.11 2rq9 n LYS 4 Ca -0.05 -4.29 -0.28 0.00 -2.02 0.00 0.00 58.31 51.67 2rq9 n LYS 4 Cb 0.50 -2.13 -0.09 0.00 -0.02 0.00 0.00 35.03 33.29 2rq9 n LYS 4 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2rq9 s LYS 5 N -3.52 2.30 0.14 1.97 3.01 -1.26 -4.87 119.74 117.53 2rq9 s LYS 5 Ca 0.46 -1.04 -0.30 0.00 -1.01 0.00 0.00 55.97 54.07 2rq9 s LYS 5 Cb 0.41 -2.36 -0.07 0.00 -1.01 0.00 0.00 37.83 34.80 2rq9 s LYS 5 CO -0.12 0.49 1.13 -1.25 0.51 0.00 0.00 175.35 176.11 2rq9 s PRO 6 N -2.56 4.54 0.19 -1.68 0.04 -1.26 -3.88 135.00 130.39 2rq9 s PRO 6 Ca 0.25 1.74 -0.06 0.00 0.04 0.00 0.00 61.00 62.97 2rq9 s PRO 6 Cb -0.10 -3.30 -0.02 0.00 0.04 0.00 0.00 34.50 31.12 2rq9 s PRO 6 CO 0.17 -0.03 0.24 0.15 0.04 0.00 0.00 177.00 177.57 2rq9 s LYS 7 N 0.03 1.24 0.05 4.56 3.01 -0.64 -3.02 119.74 124.96 2rq9 s LYS 7 Ca 0.52 -1.40 0.03 0.00 -1.01 0.00 0.00 55.97 54.10 2rq9 s LYS 7 Cb -0.29 0.34 -0.04 0.00 -1.01 0.00 0.00 37.83 36.83 2rq9 s LYS 7 CO 0.34 -0.44 0.04 -0.51 0.51 0.00 0.00 175.35 175.29 2rq9 s LEU 8 N -3.06 3.67 -0.53 3.17 2.01 -1.00 -3.48 118.68 119.45 2rq9 s LEU 8 Ca 0.28 -0.02 -0.20 0.00 0.01 0.00 0.00 54.13 54.19 2rq9 s LEU 8 Cb 0.04 -2.27 0.06 0.00 0.01 0.00 0.00 46.19 44.04 2rq9 s LEU 8 CO 0.07 0.22 0.70 -0.76 1.01 0.00 0.00 176.35 177.58 2rq9 s LEU 9 N -2.06 4.89 -0.48 1.79 1.43 -1.26 -1.40 118.68 121.59 2rq9 s LEU 9 Ca 0.25 -0.93 -0.25 0.00 -1.03 0.00 0.00 54.13 52.18 2rq9 s LEU 9 Cb -0.12 -2.47 0.03 0.00 0.03 0.00 0.00 46.19 43.66 2rq9 s LEU 9 CO 0.17 -1.00 0.90 -0.47 0.23 0.00 0.00 176.35 176.17 2rq9 s TYR 10 N 2.89 2.91 -1.23 0.29 5.04 -0.68 -3.64 117.35 122.92 2rq9 s TYR 10 Ca 0.17 0.23 -0.15 0.00 -2.44 0.00 0.00 57.07 54.89 2rq9 s TYR 10 Cb -0.19 -3.92 0.15 0.00 0.35 0.00 0.00 41.96 38.35 2rq9 s TYR 10 CO 0.12 -1.13 1.51 0.00 -1.34 0.00 0.00 175.55 174.70 2rq9 n SER 12 N 6.21 0.12 -0.30 0.00 3.41 -1.26 0.21 113.62 122.01 2rq9 n SER 12 Ca 0.40 1.06 -0.01 0.00 -0.26 0.00 0.00 58.87 60.05 2rq9 n SER 12 Cb 0.43 -0.52 0.05 0.00 -0.26 0.00 0.00 64.21 63.91 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 -1.18 0.00 4.04 -1.24 -1.59 -3.31 115.58 112.31 2rq9 h ASN 13 Ca 0.75 0.27 0.00 0.00 0.71 0.00 0.00 56.30 58.03 2rq9 h ASN 13 Cb 2.61 0.64 0.00 0.00 0.73 0.00 0.00 38.32 42.30 2rq9 h ASN 13 CO -0.27 -0.29 -0.95 0.61 -1.29 0.00 0.00 177.43 175.23 2rq9 n GLY 14 N -1.48 0.00 0.34 1.57 0.00 0.31 -4.94 105.19 100.99 2rq9 n GLY 14 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 3.20 0.42 3.68 -0.02 0.00 0.56 -5.02 105.19 107.99 2rq9 n GLY 15 Ca 0.00 -0.54 -0.08 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.52 0.04 -0.00 1.61 3.76 -1.26 -4.76 115.29 114.17 2rq9 s HIS 16 Ca 0.00 -0.44 0.03 0.00 -0.15 0.00 0.00 55.06 54.51 2rq9 s HIS 16 Cb 0.00 0.43 -0.03 0.00 1.11 0.00 0.00 32.58 34.09 2rq9 s HIS 16 CO 0.00 -1.07 -0.08 -0.06 -0.85 0.00 0.00 174.74 172.68 2rq9 s PHE 17 N -3.95 2.86 -0.29 1.40 0.08 -1.13 -2.26 117.98 114.70 2rq9 s PHE 17 Ca 0.15 -0.06 -0.29 0.00 0.12 0.00 0.00 56.93 56.85 2rq9 s PHE 17 Cb -0.03 -1.60 0.00 0.00 -0.57 0.00 0.00 43.02 40.82 2rq9 s PHE 17 CO 0.06 0.35 1.24 -1.17 -0.10 0.00 0.00 175.22 175.60 2rq9 s LEU 18 N -1.34 3.94 -0.00 -0.37 2.96 -1.24 -1.20 118.68 121.41 2rq9 s LEU 18 Ca 0.16 1.23 0.02 0.00 -0.22 0.00 0.00 54.13 55.33 2rq9 s LEU 18 Cb -0.11 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 43.00 2rq9 s LEU 18 CO 0.07 -0.98 -0.03 -0.60 -1.32 0.00 0.00 176.35 173.48 2rq9 s ARG 19 N 3.94 2.68 -0.29 1.98 3.52 -0.60 -4.63 118.95 125.55 2rq9 s ARG 19 Ca 0.53 -0.65 0.02 0.00 -0.13 0.00 0.00 55.73 55.49 2rq9 s ARG 19 Cb -0.16 -2.59 0.08 0.00 -1.56 0.00 0.00 34.95 30.72 2rq9 s ARG 19 CO 0.20 0.62 0.01 0.42 -0.81 0.00 0.00 175.30 175.74 2rq9 s ILE 20 N -1.03 1.68 0.61 4.11 1.01 -1.26 -2.54 121.20 123.77 2rq9 s ILE 20 Ca 0.18 -1.67 -0.14 0.00 0.00 0.00 0.00 60.65 59.02 2rq9 s ILE 20 Cb -0.11 -2.10 -0.04 0.00 0.01 0.00 0.00 42.46 40.22 2rq9 s ILE 20 CO 0.08 -0.39 1.04 -0.76 0.00 0.00 0.00 174.94 174.91 2rq9 s LEU 21 N 1.26 3.38 0.00 2.97 1.43 0.50 -4.74 118.68 123.48 2rq9 s LEU 21 Ca 0.03 1.63 0.24 0.00 -1.03 0.00 0.00 54.13 55.00 2rq9 s LEU 21 Cb -0.19 -4.51 1.34 0.00 0.03 0.00 0.00 46.19 42.87 2rq9 s LEU 21 CO -0.11 -1.04 1.78 -0.81 0.23 0.00 0.00 176.35 176.40 2rq9 n PRO 22 N -2.35 0.62 -0.22 1.29 -0.04 -1.26 -2.12 135.00 130.92 2rq9 n PRO 22 Ca 0.07 0.02 0.10 0.00 -0.04 0.00 0.00 63.50 63.65 2rq9 n PRO 22 Cb 0.54 -1.50 0.26 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 -1.09 2.82 -0.98 3.54 9.92 -1.26 -4.90 116.55 124.60 2rq9 n ASP 23 Ca 0.16 -1.94 -0.05 0.00 -0.53 0.00 0.00 54.79 52.43 2rq9 n ASP 23 Cb 0.11 -0.29 0.01 0.00 -0.64 0.00 0.00 41.12 40.31 2rq9 n ASP 23 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2rq9 n GLY 24 N 1.36 0.55 3.44 0.44 0.00 -0.90 -5.05 105.19 105.03 2rq9 n GLY 24 Ca 0.18 -0.54 -0.30 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.87 2.67 -0.13 2.61 2.01 -1.23 -4.44 115.64 114.26 2rq9 s THR 25 Ca 0.09 -1.32 -0.02 0.00 0.31 0.00 0.00 61.69 60.75 2rq9 s THR 25 Cb -0.04 -2.14 0.04 0.00 0.01 0.00 0.00 72.50 70.37 2rq9 s THR 25 CO 0.11 0.28 0.02 -0.69 -0.69 0.00 0.00 174.62 173.65 2rq9 s VAL 26 N -0.96 0.44 0.11 3.82 1.01 -1.26 -0.37 120.40 123.18 2rq9 s VAL 26 Ca 0.15 -0.20 -0.10 0.00 0.00 0.00 0.00 61.98 61.83 2rq9 s VAL 26 Cb -0.10 -0.77 0.00 0.00 0.00 0.00 0.00 36.38 35.51 2rq9 s VAL 26 CO 0.06 0.03 0.24 -1.81 0.00 0.00 0.00 175.10 173.62 2rq9 s ASP 27 N 1.92 0.05 0.47 3.32 1.01 -1.05 -4.42 116.67 117.97 2rq9 s ASP 27 Ca 0.02 -0.63 -0.20 0.00 0.71 0.00 0.00 52.55 52.46 2rq9 s ASP 27 Cb -0.15 0.38 -0.09 0.00 1.01 0.00 0.00 42.92 44.07 2rq9 s ASP 27 CO -0.07 -0.78 0.99 -0.83 0.21 0.00 0.00 175.17 174.70 2rq9 s GLY 28 N -2.87 2.35 -0.27 0.21 0.00 0.18 -1.56 107.32 105.37 2rq9 s GLY 28 Ca 0.06 0.43 -0.06 0.00 0.00 0.00 0.00 44.72 45.15 2rq9 s GLY 28 CO -0.10 0.72 0.54 -1.08 0.00 0.00 0.00 173.10 173.19 2rq9 s THR 29 N -2.21 -0.86 -0.55 0.90 -1.32 -0.34 -4.84 115.64 106.40 2rq9 s THR 29 Ca 0.63 0.03 -0.03 0.00 -1.21 0.00 0.00 61.69 61.11 2rq9 s THR 29 Cb -0.12 -0.90 0.13 0.00 -1.51 0.00 0.00 72.50 70.10 2rq9 s THR 29 CO 0.20 -0.00 2.60 -1.14 -2.21 0.00 0.00 174.62 174.07 2rq9 n ARG 30 N 5.42 2.51 -3.66 7.08 0.63 -1.26 -2.83 116.66 124.54 2rq9 n ARG 30 Ca -0.07 -2.63 -0.29 0.00 -0.92 0.00 0.00 57.85 53.94 2rq9 n ARG 30 Cb 0.50 -2.18 -0.13 0.00 0.45 0.00 0.00 32.46 31.10 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 0.03 3.62 0.63 6.15 2.15 -1.26 -4.96 116.67 123.03 2rq9 s ASP 31 Ca 0.57 -2.24 0.29 0.00 0.43 0.00 0.00 52.55 51.60 2rq9 s ASP 31 Cb 0.39 -0.85 1.57 0.00 -0.30 0.00 0.00 42.92 43.74 2rq9 s ASP 31 CO -0.27 -0.32 1.92 0.03 -0.17 0.00 0.00 175.17 176.37 2rq9 h ARG 32 N 7.19 0.00 -0.43 4.34 2.47 -2.04 0.29 114.38 126.20 2rq9 h ARG 32 Ca -0.03 0.00 0.11 0.00 -1.26 0.00 0.00 59.98 58.79 2rq9 h ARG 32 Cb 0.96 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.26 2rq9 h ARG 32 CO 0.43 0.00 0.31 1.03 0.56 0.00 0.00 179.97 182.30 2rq9 h SER 33 N 0.00 0.08 -2.83 7.04 0.87 -1.98 -3.41 113.55 113.33 2rq9 h SER 33 Ca 0.08 0.00 -0.53 0.00 -1.23 0.00 0.00 61.79 60.11 2rq9 h SER 33 Cb 0.83 -0.02 0.03 0.00 -0.44 0.00 0.00 62.40 62.81 2rq9 h SER 33 CO -0.00 0.05 0.87 -0.62 -0.53 0.00 0.00 176.83 176.60 2rq9 s ASP 34 N -6.40 6.66 0.00 6.23 -1.08 0.10 -4.88 116.67 117.30 2rq9 s ASP 34 Ca -0.06 2.49 0.21 0.00 -0.52 0.00 0.00 52.55 54.67 2rq9 s ASP 34 Cb 0.19 -2.58 0.59 0.00 -1.46 0.00 0.00 42.92 39.66 2rq9 s ASP 34 CO 0.72 -0.80 1.49 0.00 0.52 0.00 0.00 175.17 177.11 2rq9 n GLN 35 N 4.47 2.56 -0.07 4.34 1.13 -1.26 -4.00 117.38 124.54 2rq9 n GLN 35 Ca 0.14 -2.41 -0.09 0.00 -1.94 0.00 0.00 57.00 52.69 2rq9 n GLN 35 Cb 0.40 -1.52 -0.15 0.00 0.11 0.00 0.00 30.24 29.08 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 1.47 0.34 0.30 1.08 8.25 -1.26 -4.03 115.22 121.37 2rq9 n HIS 36 Ca 0.22 0.12 0.18 0.00 -0.26 0.00 0.00 57.72 57.99 2rq9 n HIS 36 Cb 0.57 -1.06 0.90 0.00 1.12 0.00 0.00 29.99 31.52 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 0.17 -0.16 1.59 3.07 -1.82 -3.38 117.51 116.99 2rq9 h ILE 37 Ca -0.45 -0.33 -0.02 0.00 1.55 0.00 0.00 64.86 65.61 2rq9 h ILE 37 Cb 2.15 1.27 -0.00 0.00 -0.27 0.00 0.00 36.82 39.97 2rq9 h ILE 37 CO 0.05 0.04 0.07 -1.10 -1.05 0.00 0.00 178.15 176.15 2rq9 s GLN 38 N -4.01 1.25 0.25 0.16 -0.21 -1.26 -4.71 119.66 111.13 2rq9 s GLN 38 Ca -0.02 -0.29 -0.16 0.00 0.02 0.00 0.00 55.36 54.90 2rq9 s GLN 38 Cb 0.12 -4.95 -0.08 0.00 1.00 0.00 0.00 33.01 29.09 2rq9 s GLN 38 CO 0.51 -5.34 0.69 -0.51 -2.12 0.00 0.00 175.29 168.52 2rq9 s LEU 39 N 16.65 4.23 -0.30 2.90 1.43 -1.23 -3.13 118.68 139.23 2rq9 s LEU 39 Ca 0.83 1.27 -0.09 0.00 -1.03 0.00 0.00 54.13 55.12 2rq9 s LEU 39 Cb -0.06 -3.72 -0.00 0.00 0.03 0.00 0.00 46.19 42.43 2rq9 s LEU 39 CO 0.16 -0.05 0.12 -1.58 0.23 0.00 0.00 176.35 175.24 2rq9 s GLN 40 N -2.40 3.30 -0.05 1.70 0.74 0.10 -1.62 119.66 121.43 2rq9 s GLN 40 Ca 0.47 -0.73 -0.15 0.00 0.05 0.00 0.00 55.36 54.99 2rq9 s GLN 40 Cb -0.14 -3.49 -0.05 0.00 1.10 0.00 0.00 33.01 30.44 2rq9 s GLN 40 CO 0.19 -0.40 0.40 -0.51 -0.55 0.00 0.00 175.29 174.43 2rq9 s LEU 41 N 1.58 4.40 0.07 3.68 1.43 -1.25 -2.41 118.68 126.19 2rq9 s LEU 41 Ca 0.04 0.86 0.02 0.00 -1.03 0.00 0.00 54.13 54.02 2rq9 s LEU 41 Cb -0.17 -2.57 -0.03 0.00 0.03 0.00 0.00 46.19 43.44 2rq9 s LEU 41 CO 0.05 0.22 -0.07 -0.44 0.23 0.00 0.00 176.35 176.35 2rq9 s SER 42 N -0.49 0.97 -0.11 2.29 0.01 -0.61 -4.16 113.70 111.60 2rq9 s SER 42 Ca 0.23 -0.82 0.04 0.00 1.31 0.00 0.00 55.95 56.71 2rq9 s SER 42 Cb -0.16 0.08 0.00 0.00 0.21 0.00 0.00 66.02 66.15 2rq9 s SER 42 CO 0.11 -0.37 -0.23 0.00 0.41 0.00 0.00 173.24 173.16 2rq9 s ALA 43 N -2.71 2.20 -0.11 1.44 0.00 -1.26 0.09 121.76 121.40 2rq9 s ALA 43 Ca 0.02 -1.00 -0.09 0.00 0.00 0.00 0.00 51.96 50.90 2rq9 s ALA 43 Cb -0.01 -0.86 -0.05 0.00 0.00 0.00 0.00 23.12 22.20 2rq9 s ALA 43 CO -0.03 0.21 -0.19 0.39 0.00 0.00 0.00 175.76 176.13 2rq9 n GLU 44 N 3.66 0.31 -4.37 0.00 -0.58 -1.22 -5.01 120.64 113.43 2rq9 n GLU 44 Ca -0.19 0.13 -0.19 0.00 -0.42 0.00 0.00 57.16 56.49 2rq9 n GLU 44 Cb 0.53 -1.03 -0.10 0.00 -0.57 0.00 0.00 31.44 30.27 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 -6.19 2.15 -0.11 1.62 0.01 -1.26 -5.04 113.70 104.88 2rq9 s SER 45 Ca -0.19 -1.23 -0.29 0.00 1.31 0.00 0.00 55.95 55.55 2rq9 s SER 45 Cb 0.06 -0.05 -0.06 0.00 0.21 0.00 0.00 66.02 66.17 2rq9 s SER 45 CO 0.25 -0.47 2.00 -0.69 0.41 0.00 0.00 173.24 174.74 2rq9 s VAL 46 N -3.29 3.14 0.00 3.43 1.01 -1.26 -0.36 120.40 123.07 2rq9 s VAL 46 Ca 0.29 0.16 0.00 0.00 0.00 0.00 0.00 61.98 62.44 2rq9 s VAL 46 Cb 0.05 -3.14 0.00 0.00 0.00 0.00 0.00 36.38 33.29 2rq9 s VAL 46 CO 0.10 -0.06 0.00 0.61 0.00 0.00 0.00 175.10 175.75 2rq9 n GLY 47 N 5.05 0.67 3.09 4.51 0.00 -1.26 -5.06 105.19 112.19 2rq9 n GLY 47 Ca 0.24 -0.39 -0.23 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.88 1.37 0.01 1.61 2.02 0.51 -2.77 118.70 120.58 2rq9 s GLU 48 Ca 0.00 -0.50 -0.08 0.00 0.02 0.00 0.00 54.97 54.42 2rq9 s GLU 48 Cb 0.00 -1.25 0.00 0.00 0.10 0.00 0.00 34.13 32.98 2rq9 s GLU 48 CO 0.00 0.23 0.15 0.14 0.02 0.00 0.00 175.26 175.80 2rq9 s VAL 49 N -0.03 0.09 0.04 2.63 -7.23 -0.00 -3.42 120.40 112.47 2rq9 s VAL 49 Ca -0.01 -0.74 0.08 0.00 -1.81 0.00 0.00 61.98 59.49 2rq9 s VAL 49 Cb -0.09 -0.53 -0.03 0.00 0.56 0.00 0.00 36.38 36.29 2rq9 s VAL 49 CO 0.01 -0.41 -0.21 -0.31 -0.31 0.00 0.00 175.10 173.87 2rq9 s TYR 50 N -1.62 2.49 -0.25 2.82 2.02 0.11 -1.55 117.35 121.37 2rq9 s TYR 50 Ca -0.13 -0.30 0.01 0.00 -0.37 0.00 0.00 57.07 56.28 2rq9 s TYR 50 Cb -0.06 -1.45 0.07 0.00 -0.40 0.00 0.00 41.96 40.11 2rq9 s TYR 50 CO 0.01 0.20 -0.02 0.42 -1.57 0.00 0.00 175.55 174.59 2rq9 s ILE 51 N -0.87 1.49 0.05 2.71 1.01 -1.26 -1.57 121.20 122.76 2rq9 s ILE 51 Ca 0.13 -1.32 0.05 0.00 0.00 0.00 0.00 60.65 59.52 2rq9 s ILE 51 Cb -0.10 -1.83 -0.02 0.00 0.01 0.00 0.00 42.46 40.51 2rq9 s ILE 51 CO 0.04 -0.22 -0.15 -0.75 0.00 0.00 0.00 174.94 173.86 2rq9 s LYS 52 N 1.39 0.97 0.17 2.79 2.20 -1.01 0.20 119.74 126.44 2rq9 s LYS 52 Ca -0.02 -0.84 -0.29 0.00 -0.36 0.00 0.00 55.97 54.46 2rq9 s LYS 52 Cb -0.19 -1.00 -0.07 0.00 -1.51 0.00 0.00 37.83 35.06 2rq9 s LYS 52 CO -0.08 0.24 0.92 0.45 -0.36 0.00 0.00 175.35 176.52 2rq9 s SER 53 N -1.30 7.53 0.02 1.43 0.15 0.88 0.02 113.70 122.43 2rq9 s SER 53 Ca 0.02 1.82 0.24 0.00 0.70 0.00 0.00 55.95 58.73 2rq9 s SER 53 Cb -0.08 -2.58 0.40 0.00 -1.71 0.00 0.00 66.02 62.05 2rq9 s SER 53 CO 0.02 0.06 1.34 0.35 1.20 0.00 0.00 173.24 176.21 2rq9 n THR 54 N 2.13 0.05 0.00 6.45 -2.24 -1.18 -2.94 114.28 116.54 2rq9 n THR 54 Ca -0.01 -0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 2rq9 n THR 54 Cb 0.48 0.26 0.00 0.00 -2.10 0.00 0.00 70.33 68.97 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 -1.60 0.00 0.09 -0.78 4.07 -1.26 -4.69 120.64 116.47 2rq9 n GLU 55 Ca 0.05 0.13 -0.13 0.00 -0.06 0.00 0.00 57.16 57.15 2rq9 n GLU 55 Cb 0.35 -0.53 -0.08 0.00 -0.06 0.00 0.00 31.44 31.12 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 0.90 0.00 6.31 1.35 -1.85 -3.48 112.91 116.13 2rq9 h THR 56 Ca 0.00 -0.79 0.00 0.00 -0.55 0.00 0.00 66.41 65.07 2rq9 h THR 56 Cb 0.00 1.34 0.00 0.00 -1.73 0.00 0.00 68.15 67.76 2rq9 h THR 56 CO 0.00 0.17 0.00 0.61 -0.25 0.00 0.00 175.52 176.05 2rq9 n GLY 57 N -0.06 0.85 3.43 5.82 0.00 -1.15 -5.07 105.19 109.01 2rq9 n GLY 57 Ca -0.09 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.66 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 0.30 1.53 -0.14 1.61 -0.21 -1.25 -4.89 119.66 116.61 2rq9 s GLN 58 Ca 0.00 -1.50 -0.09 0.00 0.02 0.00 0.00 55.36 53.78 2rq9 s GLN 58 Cb 0.00 -1.86 -0.05 0.00 1.00 0.00 0.00 33.01 32.10 2rq9 s GLN 58 CO 0.00 0.40 0.17 0.71 -2.12 0.00 0.00 175.29 174.46 2rq9 s TYR 59 N -1.63 3.54 -0.19 0.91 2.02 -1.05 -0.08 117.35 120.86 2rq9 s TYR 59 Ca 0.20 0.51 -0.29 0.00 -0.37 0.00 0.00 57.07 57.13 2rq9 s TYR 59 Cb -0.08 -2.08 -0.01 0.00 -0.40 0.00 0.00 41.96 39.40 2rq9 s TYR 59 CO 0.10 0.54 1.18 -1.17 -1.57 0.00 0.00 175.55 174.64 2rq9 s LEU 60 N -0.46 4.15 0.02 -1.29 2.96 0.13 -0.06 118.68 124.13 2rq9 s LEU 60 Ca 0.14 1.58 -0.01 0.00 -0.22 0.00 0.00 54.13 55.62 2rq9 s LEU 60 Cb -0.12 -3.54 -0.02 0.00 0.50 0.00 0.00 46.19 43.01 2rq9 s LEU 60 CO 0.03 -0.73 -0.02 0.00 -1.32 0.00 0.00 176.35 174.31 2rq9 s ALA 61 N 3.40 0.14 -0.29 5.97 0.00 -0.47 -4.22 121.76 126.28 2rq9 s ALA 61 Ca 0.51 -0.64 -0.08 0.00 0.00 0.00 0.00 51.96 51.74 2rq9 s ALA 61 Cb -0.19 0.17 -0.00 0.00 0.00 0.00 0.00 23.12 23.09 2rq9 s ALA 61 CO 0.12 -0.19 0.11 1.41 0.00 0.00 0.00 175.76 177.20 2rq9 s MET 62 N -1.79 3.29 0.00 0.00 1.75 -1.24 -0.24 119.30 121.07 2rq9 s MET 62 Ca -0.13 -0.73 0.00 0.00 -1.25 0.00 0.00 55.69 53.58 2rq9 s MET 62 Cb -0.07 -3.44 0.00 0.00 2.84 0.00 0.00 34.83 34.16 2rq9 s MET 62 CO -0.02 -0.38 0.00 -0.25 -0.65 0.00 0.00 175.02 173.72 2rq9 n ASP 63 N 4.92 -0.61 -0.07 1.11 8.00 -0.86 -4.89 116.55 124.15 2rq9 n ASP 63 Ca -0.15 -0.25 0.13 0.00 0.71 0.00 0.00 54.79 55.23 2rq9 n ASP 63 Cb 0.49 0.00 0.47 0.00 -0.02 0.00 0.00 41.12 42.06 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 -1.66 0.00 1.31 -3.53 -2.24 -1.26 -3.18 114.28 103.71 2rq9 n THR 64 Ca 0.00 -0.04 0.14 0.00 -2.27 0.00 0.00 64.05 61.88 2rq9 n THR 64 Cb 0.00 -0.01 0.57 0.00 -2.10 0.00 0.00 70.33 68.79 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 -1.20 0.41 0.00 3.42 8.00 -1.26 -4.88 116.55 121.04 2rq9 n ASP 65 Ca 0.10 -0.40 0.00 0.00 0.71 0.00 0.00 54.79 55.20 2rq9 n ASP 65 Cb 0.32 -0.09 0.00 0.00 -0.02 0.00 0.00 41.12 41.32 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 1.33 0.87 3.96 0.44 0.00 -1.19 -4.67 105.19 105.93 2rq9 n GLY 66 Ca 0.12 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.92 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 3.30 -0.15 0.99 1.02 -1.26 0.42 118.68 123.00 2rq9 s LEU 67 Ca 0.00 0.21 -0.04 0.00 0.02 0.00 0.00 54.13 54.31 2rq9 s LEU 67 Cb 0.00 -3.05 -0.03 0.00 0.02 0.00 0.00 46.19 43.13 2rq9 s LEU 67 CO 0.00 -1.09 0.00 -0.76 0.02 0.00 0.00 176.35 174.52 2rq9 s LEU 68 N -4.80 3.50 0.02 1.79 1.43 -1.26 -2.02 118.68 117.32 2rq9 s LEU 68 Ca 0.55 0.00 -0.04 0.00 -1.03 0.00 0.00 54.13 53.61 2rq9 s LEU 68 Cb -0.10 -1.84 -0.01 0.00 0.03 0.00 0.00 46.19 44.26 2rq9 s LEU 68 CO 0.40 0.22 0.07 -0.72 0.23 0.00 0.00 176.35 176.55 2rq9 s TYR 69 N 0.05 0.15 -0.13 0.29 -0.85 0.67 -4.21 117.35 113.31 2rq9 s TYR 69 Ca 0.02 -0.35 -0.27 0.00 -0.52 0.00 0.00 57.07 55.95 2rq9 s TYR 69 Cb -0.13 -0.12 -0.02 0.00 0.38 0.00 0.00 41.96 42.08 2rq9 s TYR 69 CO 0.02 -0.27 0.90 0.20 -1.52 0.00 0.00 175.55 174.88 2rq9 s GLY 70 N -1.57 2.25 0.04 5.49 0.00 -1.26 -1.37 107.32 110.91 2rq9 s GLY 70 Ca -0.13 0.19 -0.17 0.00 0.00 0.00 0.00 44.72 44.61 2rq9 s GLY 70 CO -0.01 1.74 0.49 -0.45 0.00 0.00 0.00 173.10 174.87 2rq9 s SER 71 N 1.10 6.94 0.26 1.64 0.15 0.91 -4.82 113.70 119.88 2rq9 s SER 71 Ca 0.42 1.11 -0.04 0.00 0.70 0.00 0.00 55.95 58.15 2rq9 s SER 71 Cb -0.17 -2.31 0.32 0.00 -1.71 0.00 0.00 66.02 62.15 2rq9 s SER 71 CO 0.15 0.29 1.82 -0.61 1.20 0.00 0.00 173.24 176.10 2rq9 h GLN 72 N 4.58 0.99 -5.91 5.44 4.15 -1.93 -2.79 115.11 119.64 2rq9 h GLN 72 Ca -0.51 -0.18 -0.54 0.00 0.77 0.00 0.00 58.65 58.19 2rq9 h GLN 72 Cb 1.22 -0.16 -0.14 0.00 0.21 0.00 0.00 27.48 28.60 2rq9 h GLN 72 CO 0.62 0.83 -0.74 0.95 -1.93 0.00 0.00 178.83 178.56 2rq9 s THR 73 N -5.40 2.13 -0.30 2.39 -4.23 -1.26 -4.88 115.64 104.10 2rq9 s THR 73 Ca -0.11 -2.31 -0.29 0.00 -1.18 0.00 0.00 61.69 57.80 2rq9 s THR 73 Cb 0.16 -2.22 -0.00 0.00 1.34 0.00 0.00 72.50 71.77 2rq9 s THR 73 CO 0.81 -0.46 1.35 -2.16 -0.54 0.00 0.00 174.62 173.62 2rq9 s PRO 74 N -3.58 3.88 0.18 3.99 0.04 -1.26 -4.83 135.00 133.42 2rq9 s PRO 74 Ca 0.27 1.29 0.08 0.00 0.04 0.00 0.00 61.00 62.68 2rq9 s PRO 74 Cb -0.03 -3.91 -0.04 0.00 0.04 0.00 0.00 34.50 30.56 2rq9 s PRO 74 CO 0.12 -1.17 -0.17 -0.80 0.04 0.00 0.00 177.00 175.02 2rq9 s ASN 75 N 3.06 2.64 0.49 6.66 0.01 -1.26 -5.01 114.94 121.52 2rq9 s ASN 75 Ca 0.59 -0.93 0.28 0.00 -0.71 0.00 0.00 52.86 52.09 2rq9 s ASN 75 Cb -0.18 -0.15 1.36 0.00 0.41 0.00 0.00 41.25 42.69 2rq9 s ASN 75 CO 0.24 -0.09 1.82 -0.33 -1.51 0.00 0.00 177.10 177.23 2rq9 h GLU 76 N 2.94 0.15 0.00 -0.60 5.08 -1.94 1.52 114.58 121.72 2rq9 h GLU 76 Ca -0.40 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 57.94 2rq9 h GLU 76 Cb 1.21 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.43 2rq9 h GLU 76 CO 0.56 0.10 -0.03 0.93 -1.00 0.00 0.00 179.01 179.57 2rq9 h GLU 77 N 0.16 0.00 0.00 2.33 5.08 -1.95 0.17 114.58 120.37 2rq9 h GLU 77 Ca 0.53 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.83 2rq9 h GLU 77 Cb 1.80 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.04 2rq9 h GLU 77 CO -0.11 0.03 -0.55 0.00 -1.00 0.00 0.00 179.01 177.37 2rq9 s LEU 79 N -6.09 4.25 0.35 0.00 2.96 0.60 -4.19 118.68 116.57 2rq9 s LEU 79 Ca 0.03 1.17 0.09 0.00 -0.22 0.00 0.00 54.13 55.19 2rq9 s LEU 79 Cb 0.07 -3.14 -0.07 0.00 0.50 0.00 0.00 46.19 43.56 2rq9 s LEU 79 CO 0.74 -0.24 -0.07 -0.36 -1.32 0.00 0.00 176.35 175.10 2rq9 s PHE 80 N 1.41 2.38 -0.24 5.38 0.40 -0.60 -1.37 117.98 125.34 2rq9 s PHE 80 Ca 0.37 -0.56 -0.09 0.00 -0.60 0.00 0.00 56.93 56.05 2rq9 s PHE 80 Cb -0.17 -1.44 -0.04 0.00 0.51 0.00 0.00 43.02 41.88 2rq9 s PHE 80 CO 0.16 0.52 0.12 -0.51 0.70 0.00 0.00 175.22 176.21 2rq9 s LEU 81 N -3.61 3.81 0.03 -0.37 2.01 0.40 -0.82 118.68 120.13 2rq9 s LEU 81 Ca 0.33 -0.03 0.03 0.00 0.01 0.00 0.00 54.13 54.47 2rq9 s LEU 81 Cb 0.04 -2.02 -0.04 0.00 0.01 0.00 0.00 46.19 44.18 2rq9 s LEU 81 CO 0.16 0.02 -0.02 -0.70 1.01 0.00 0.00 176.35 176.83 2rq9 s GLU 82 N 1.31 2.63 -0.02 1.70 -6.30 -1.11 -1.72 118.70 115.18 2rq9 s GLU 82 Ca 0.06 -0.72 -0.18 0.00 -2.50 0.00 0.00 54.97 51.63 2rq9 s GLU 82 Cb -0.15 -2.58 0.03 0.00 0.00 0.00 0.00 34.13 31.44 2rq9 s GLU 82 CO 0.05 0.59 0.39 0.50 0.02 0.00 0.00 175.26 176.81 2rq9 s ARG 83 N -1.79 0.74 -0.49 4.30 3.00 -1.18 -4.57 118.95 118.96 2rq9 s ARG 83 Ca 0.21 -0.09 -0.21 0.00 -1.00 0.00 0.00 55.73 54.65 2rq9 s ARG 83 Cb -0.11 0.34 0.04 0.00 0.00 0.00 0.00 34.95 35.21 2rq9 s ARG 83 CO 0.12 -0.21 0.68 -1.17 0.00 0.00 0.00 175.30 174.72 2rq9 s LEU 84 N -1.27 4.65 0.25 -0.88 1.98 -1.26 -2.85 118.68 119.30 2rq9 s LEU 84 Ca -0.13 -0.60 0.08 0.00 -2.89 0.00 0.00 54.13 50.59 2rq9 s LEU 84 Cb -0.04 -2.62 -0.04 0.00 0.66 0.00 0.00 46.19 44.15 2rq9 s LEU 84 CO 0.05 -0.90 0.10 -1.83 -1.89 0.00 0.00 176.35 171.89 2rq9 s GLU 85 N 2.91 2.63 0.83 1.98 4.04 -1.00 -5.06 118.70 125.03 2rq9 s GLU 85 Ca 0.20 -1.21 -0.11 0.00 0.04 0.00 0.00 54.97 53.89 2rq9 s GLU 85 Cb -0.16 -2.38 0.17 0.00 0.02 0.00 0.00 34.13 31.77 2rq9 s GLU 85 CO 0.16 0.39 0.38 0.39 -1.84 0.00 0.00 175.26 174.73 2rq9 n GLU 86 N -1.00 -1.39 -0.90 -4.83 1.02 -1.26 -2.99 120.64 109.29 2rq9 n GLU 86 Ca -0.07 -0.63 0.00 0.00 -0.02 0.00 0.00 57.16 56.43 2rq9 n GLU 86 Cb 0.58 -1.21 0.00 0.00 -0.02 0.00 0.00 31.44 30.79 2rq9 n GLU 86 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 2rq9 n ASN 87 N -1.68 -1.34 -3.45 1.62 5.15 -1.26 -3.28 115.26 111.03 2rq9 n ASN 87 Ca 0.06 0.00 -0.18 0.00 -0.60 0.00 0.00 54.58 53.86 2rq9 n ASN 87 Cb 0.26 -1.00 0.07 0.00 -0.53 0.00 0.00 39.78 38.59 2rq9 n ASN 87 CO 0.00 0.00 0.00 1.57 1.40 0.00 0.00 177.26 180.23 2rq9 n HIS 88 N -2.23 -2.19 -3.95 1.20 -0.00 -1.23 -5.01 115.22 101.80 2rq9 n HIS 88 Ca 0.00 0.89 -0.09 0.00 0.46 0.00 0.00 57.72 58.98 2rq9 n HIS 88 Cb 0.05 -4.70 -0.08 0.00 -0.12 0.00 0.00 29.99 25.14 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 -3.43 0.34 0.17 1.57 2.02 -1.16 -4.93 117.35 111.94 2rq9 s TYR 89 Ca 0.11 -0.79 0.09 0.00 -0.37 0.00 0.00 57.07 56.12 2rq9 s TYR 89 Cb -0.02 -0.18 -0.04 0.00 -0.40 0.00 0.00 41.96 41.32 2rq9 s TYR 89 CO 0.75 -0.53 -0.14 -0.80 -1.57 0.00 0.00 175.55 173.26 2rq9 s ASN 90 N -2.91 4.02 0.21 2.29 -0.87 0.16 -2.38 114.94 115.45 2rq9 s ASN 90 Ca 0.09 -0.64 0.09 0.00 -1.57 0.00 0.00 52.86 50.82 2rq9 s ASN 90 Cb 0.06 -0.59 -0.05 0.00 -0.02 0.00 0.00 41.25 40.65 2rq9 s ASN 90 CO -0.08 0.12 -0.16 0.42 -2.57 0.00 0.00 177.10 174.83 2rq9 s THR 91 N -1.62 1.86 -0.02 1.60 -4.23 -1.13 0.86 115.64 112.97 2rq9 s THR 91 Ca 0.23 -2.18 0.00 0.00 -1.18 0.00 0.00 61.69 58.56 2rq9 s THR 91 Cb -0.09 -2.04 0.02 0.00 1.34 0.00 0.00 72.50 71.74 2rq9 s THR 91 CO 0.13 -0.51 0.02 -0.31 -0.54 0.00 0.00 174.62 173.41 2rq9 s TYR 92 N -2.70 0.08 -0.01 3.99 2.02 -1.26 -3.10 117.35 116.37 2rq9 s TYR 92 Ca 0.22 0.07 0.02 0.00 -0.37 0.00 0.00 57.07 57.01 2rq9 s TYR 92 Cb -0.02 -0.20 0.00 0.00 -0.40 0.00 0.00 41.96 41.33 2rq9 s TYR 92 CO 0.08 -0.07 -0.05 0.42 -1.57 0.00 0.00 175.55 174.36 2rq9 s ILE 93 N 0.76 0.42 0.46 2.71 1.01 -0.70 -3.23 121.20 122.64 2rq9 s ILE 93 Ca -0.07 -0.20 -0.25 0.00 0.00 0.00 0.00 60.65 60.14 2rq9 s ILE 93 Cb -0.09 -0.38 -0.08 0.00 0.01 0.00 0.00 42.46 41.92 2rq9 s ILE 93 CO -0.02 0.13 1.38 -0.24 0.00 0.00 0.00 174.94 176.19 2rq9 n SER 94 N 3.14 3.03 -0.04 3.58 2.88 -1.26 0.15 113.62 125.10 2rq9 n SER 94 Ca -0.15 1.09 -0.06 0.00 -1.33 0.00 0.00 58.87 58.42 2rq9 n SER 94 Cb 0.57 -1.57 -0.05 0.00 -0.75 0.00 0.00 64.21 62.40 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 2.09 -0.05 -1.22 -1.46 3.64 -1.41 0.11 116.57 118.27 2rq9 h LYS 95 Ca -0.50 0.00 0.35 0.00 -1.27 0.00 0.00 60.65 59.24 2rq9 h LYS 95 Cb 1.28 0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 33.06 2rq9 h LYS 95 CO 0.60 0.33 1.09 -0.22 -2.27 0.00 0.00 179.45 178.98 2rq9 h LYS 96 N -0.99 0.00 0.00 1.90 3.64 -1.78 -3.27 116.57 116.07 2rq9 h LYS 96 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2rq9 h LYS 96 Cb 0.40 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.22 2rq9 h LYS 96 CO 0.01 0.00 0.00 0.72 -2.27 0.00 0.00 179.45 177.91 2rq9 n HIS 97 N -3.67 0.00 0.00 1.91 8.25 -1.22 -4.90 115.22 115.59 2rq9 n HIS 97 Ca 0.27 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.73 2rq9 n HIS 97 Cb 1.47 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.58 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 0.20 -1.41 0.00 0.37 -4.03 120.51 112.64 2rq9 n ALA 98 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.52 2rq9 n ALA 98 Cb 0.00 0.00 0.40 0.00 0.00 0.00 0.00 19.45 19.85 2rq9 n ALA 98 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2rq9 n GLU 99 N 0.00 0.10 0.00 0.00 1.02 -1.26 0.29 120.64 120.80 2rq9 n GLU 99 Ca 0.00 0.53 0.13 0.00 -0.02 0.00 0.00 57.16 57.80 2rq9 n GLU 99 Cb 0.00 -1.79 0.43 0.00 -0.02 0.00 0.00 31.44 30.06 2rq9 n GLU 99 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2rq9 n LYS 100 N -2.00 1.17 -3.80 3.49 5.02 -1.26 -4.96 118.16 115.82 2rq9 n LYS 100 Ca 0.00 -0.69 -0.31 0.00 -2.02 0.00 0.00 58.31 55.29 2rq9 n LYS 100 Cb 0.08 -1.49 0.01 0.00 -0.02 0.00 0.00 35.03 33.61 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 -0.32 -4.97 -4.45 4.39 3.02 0.15 -4.81 115.26 108.27 2rq9 n ASN 101 Ca 0.15 -1.01 -0.33 0.00 -0.03 0.00 0.00 54.58 53.36 2rq9 n ASN 101 Cb 0.35 -2.30 -0.13 0.00 -0.61 0.00 0.00 39.78 37.10 2rq9 n ASN 101 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 2rq9 s TRP 102 N -3.25 2.89 0.09 3.10 0.51 -1.26 -4.73 118.94 116.30 2rq9 s TRP 102 Ca 0.25 -0.42 0.07 0.00 -2.12 0.00 0.00 56.10 53.88 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 0.90 -0.07 -0.13 -0.06 -0.51 0.00 0.00 176.95 177.09 2rq9 s PHE 103 N 0.16 2.67 0.00 -1.98 0.08 -1.22 -3.98 117.98 113.72 2rq9 s PHE 103 Ca -0.05 -0.19 0.00 0.00 0.12 0.00 0.00 56.93 56.81 2rq9 s PHE 103 Cb -0.14 -1.43 0.00 0.00 -0.57 0.00 0.00 43.02 40.88 2rq9 s PHE 103 CO 0.04 0.39 0.00 0.28 -0.10 0.00 0.00 175.22 175.83 2rq9 n VAL 104 N 0.90 0.00 -0.86 -0.44 0.31 -1.20 -4.14 118.33 112.91 2rq9 n VAL 104 Ca -0.14 0.16 0.10 0.00 -0.01 0.00 0.00 64.34 64.44 2rq9 n VAL 104 Cb 0.52 -0.54 -0.03 0.00 -0.91 0.00 0.00 33.84 32.89 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 1.96 -1.14 2.82 2.92 0.00 -1.26 -3.76 105.19 106.74 2rq9 n GLY 105 Ca 0.00 -0.56 -0.16 0.00 0.00 0.00 0.00 46.02 45.30 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 -4.61 1.29 0.00 0.99 1.43 -1.26 -2.78 118.68 113.74 2rq9 s LEU 106 Ca 0.00 -0.02 -0.08 0.00 -1.03 0.00 0.00 54.13 53.01 2rq9 s LEU 106 Cb 0.00 -0.17 0.12 0.00 0.03 0.00 0.00 46.19 46.17 2rq9 s LEU 106 CO 0.00 -0.08 0.27 0.29 0.23 0.00 0.00 176.35 177.06 2rq9 n LYS 107 N 3.95 -1.51 0.00 1.70 5.02 0.59 -4.57 118.16 123.34 2rq9 n LYS 107 Ca -0.25 -0.46 0.12 0.00 -2.02 0.00 0.00 58.31 55.71 2rq9 n LYS 107 Cb 0.52 -0.77 0.32 0.00 -0.02 0.00 0.00 35.03 35.08 2rq9 n LYS 107 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2rq9 n LYS 108 N -1.99 0.12 -0.29 1.97 4.01 -1.26 -3.45 118.16 117.27 2rq9 n LYS 108 Ca 0.04 -0.06 0.04 0.00 -0.51 0.00 0.00 58.31 57.82 2rq9 n LYS 108 Cb 0.19 -1.50 0.17 0.00 -0.51 0.00 0.00 35.03 33.38 2rq9 n LYS 108 CO 0.00 0.00 0.00 0.09 -1.11 0.00 0.00 177.40 176.38 2rq9 n ASN 109 N -1.38 2.48 -1.30 4.39 4.13 -1.26 -4.85 115.26 117.47 2rq9 n ASN 109 Ca 0.07 -2.21 -0.13 0.00 1.68 0.00 0.00 54.58 53.98 2rq9 n ASN 109 Cb 0.33 -0.41 -0.03 0.00 -1.54 0.00 0.00 39.78 38.14 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 0.66 0.50 3.58 7.41 0.00 -1.22 -4.96 105.19 111.16 2rq9 n GLY 110 Ca 0.12 -0.36 -0.26 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 -2.60 3.84 0.18 1.61 0.01 -1.26 0.50 113.70 115.98 2rq9 s SER 111 Ca 0.00 -1.23 -0.30 0.00 1.31 0.00 0.00 55.95 55.73 2rq9 s SER 111 Cb 0.00 -0.39 -0.08 0.00 0.21 0.00 0.00 66.02 65.77 2rq9 s SER 111 CO 0.00 -0.30 1.15 0.00 0.41 0.00 0.00 173.24 174.50 2rq9 s LYS 113 N -0.29 3.88 0.41 0.00 2.20 -1.12 -4.54 119.74 120.29 2rq9 s LYS 113 Ca 0.51 0.29 -0.16 0.00 -0.36 0.00 0.00 55.97 56.25 2rq9 s LYS 113 Cb -0.31 -3.73 -0.13 0.00 -1.51 0.00 0.00 37.83 32.15 2rq9 s LYS 113 CO 0.36 -0.59 -0.07 0.54 -0.36 0.00 0.00 175.35 175.23 2rq9 n ARG 114 N 5.90 0.00 -0.02 4.03 3.00 -1.25 -4.69 116.66 123.63 2rq9 n ARG 114 Ca -0.01 0.00 -0.13 0.00 -0.01 0.00 0.00 57.85 57.70 2rq9 n ARG 114 Cb 0.49 -0.84 -0.10 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 0.04 0.03 0.57 -0.13 0.00 -0.19 -2.91 103.07 100.47 2rq9 h GLY 115 Ca -0.34 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 46.96 2rq9 h GLY 115 CO 0.36 0.03 0.00 -1.55 0.00 0.00 0.00 176.54 175.38 2rq9 n PRO 116 N -4.82 0.75 -0.53 4.80 -0.04 -1.26 -2.37 135.00 131.52 2rq9 n PRO 116 Ca -0.08 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.42 2rq9 n PRO 116 Cb 0.27 -1.28 0.22 0.00 -0.04 0.00 0.00 33.50 32.67 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 -0.78 2.33 -4.19 0.54 5.12 -1.10 -4.99 116.66 113.59 2rq9 n ARG 117 Ca 0.10 -2.94 -0.17 0.00 -1.93 0.00 0.00 57.85 52.91 2rq9 n ARG 117 Cb 0.05 -1.80 -0.11 0.00 -1.16 0.00 0.00 32.46 29.44 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 -2.99 1.11 0.00 0.55 -4.23 -1.00 -4.79 115.64 104.29 2rq9 s THR 118 Ca 0.42 -1.51 0.00 0.00 -1.18 0.00 0.00 61.69 59.42 2rq9 s THR 118 Cb 0.36 -1.27 0.00 0.00 1.34 0.00 0.00 72.50 72.93 2rq9 s THR 118 CO 0.05 -0.37 0.00 1.41 -0.54 0.00 0.00 174.62 175.16 2rq9 n HIS 119 N 0.87 -0.59 -3.21 3.99 8.25 -1.26 -4.78 115.22 118.50 2rq9 n HIS 119 Ca -0.18 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 56.88 2rq9 n HIS 119 Cb 0.56 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.60 2rq9 n HIS 119 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 2rq9 s TYR 120 N -6.11 3.35 0.00 4.41 5.04 -1.26 -3.95 117.35 118.84 2rq9 s TYR 120 Ca 0.00 0.79 0.00 0.00 -2.44 0.00 0.00 57.07 55.42 2rq9 s TYR 120 Cb 0.00 -2.72 0.00 0.00 0.35 0.00 0.00 41.96 39.59 2rq9 s TYR 120 CO 0.00 -0.16 0.00 0.41 -1.34 0.00 0.00 175.55 174.46 2rq9 n GLY 121 N 3.97 0.86 3.91 8.97 0.00 -1.26 -5.13 105.19 116.51 2rq9 n GLY 121 Ca -0.04 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.71 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 3.58 -0.07 1.61 -0.21 -1.25 -4.98 119.66 118.34 2rq9 s GLN 122 Ca 0.00 -0.01 0.16 0.00 0.02 0.00 0.00 55.36 55.53 2rq9 s GLN 122 Cb 0.00 -2.56 0.57 0.00 1.00 0.00 0.00 33.01 32.02 2rq9 s GLN 122 CO 0.00 0.07 1.46 1.17 -2.12 0.00 0.00 175.29 175.87 2rq9 n LYS 123 N -1.56 3.01 -0.09 2.91 4.81 -1.26 -4.21 118.16 121.77 2rq9 n LYS 123 Ca -0.02 -2.28 -0.13 0.00 -0.87 0.00 0.00 58.31 55.01 2rq9 n LYS 123 Cb 0.55 -1.70 -0.06 0.00 0.02 0.00 0.00 35.03 33.84 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 0.98 0.65 -0.30 3.14 0.00 -1.26 -1.59 120.51 122.14 2rq9 n ALA 124 Ca 0.21 -0.52 0.31 0.00 0.00 0.00 0.00 53.44 53.45 2rq9 n ALA 124 Cb 0.68 -0.19 0.70 0.00 0.00 0.00 0.00 19.45 20.64 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 0.46 -3.22 0.00 3.07 -1.89 -3.37 117.51 111.57 2rq9 h ILE 125 Ca -0.18 -0.03 -0.53 0.00 1.55 0.00 0.00 64.86 65.67 2rq9 h ILE 125 Cb 0.91 0.37 0.01 0.00 -0.27 0.00 0.00 36.82 37.84 2rq9 h ILE 125 CO -0.11 0.02 0.59 -0.76 -1.05 0.00 0.00 178.15 176.83 2rq9 s LEU 126 N -8.66 4.39 0.03 0.16 1.43 -1.26 -4.21 118.68 110.56 2rq9 s LEU 126 Ca -0.06 2.11 0.01 0.00 -1.03 0.00 0.00 54.13 55.16 2rq9 s LEU 126 Cb 0.23 -3.59 -0.02 0.00 0.03 0.00 0.00 46.19 42.84 2rq9 s LEU 126 CO 0.80 -0.48 -0.04 -0.36 0.23 0.00 0.00 176.35 176.50 2rq9 s PHE 127 N 0.84 0.39 -0.14 0.29 0.08 0.25 -4.29 117.98 115.40 2rq9 s PHE 127 Ca 0.58 -0.56 -0.02 0.00 0.12 0.00 0.00 56.93 57.06 2rq9 s PHE 127 Cb -0.31 -0.26 0.04 0.00 -0.57 0.00 0.00 43.02 41.92 2rq9 s PHE 127 CO 0.31 -0.17 0.00 -1.17 -0.10 0.00 0.00 175.22 174.09 2rq9 s LEU 128 N -1.60 1.03 -0.06 -0.37 2.96 -1.07 0.37 118.68 119.94 2rq9 s LEU 128 Ca -0.13 -0.49 -0.30 0.00 -0.22 0.00 0.00 54.13 53.00 2rq9 s LEU 128 Cb -0.09 -0.60 -0.03 0.00 0.50 0.00 0.00 46.19 45.97 2rq9 s LEU 128 CO -0.01 -0.23 1.23 -2.16 -1.32 0.00 0.00 176.35 173.85 2rq9 s PRO 129 N 1.85 4.33 -0.06 0.98 0.04 -1.25 -1.69 135.00 139.20 2rq9 s PRO 129 Ca 0.02 1.70 -0.06 0.00 0.04 0.00 0.00 61.00 62.70 2rq9 s PRO 129 Cb -0.15 -3.59 -0.04 0.00 0.04 0.00 0.00 34.50 30.77 2rq9 s PRO 129 CO -0.07 -0.49 0.19 -0.51 0.04 0.00 0.00 177.00 176.16 2rq9 s LEU 130 N 2.39 4.39 -0.25 -3.56 2.01 -0.49 -4.85 118.68 118.32 2rq9 s LEU 130 Ca 0.56 0.48 -0.29 0.00 0.01 0.00 0.00 54.13 54.90 2rq9 s LEU 130 Cb -0.25 -2.36 -0.01 0.00 0.01 0.00 0.00 46.19 43.58 2rq9 s LEU 130 CO 0.21 0.34 1.32 -2.16 1.01 0.00 0.00 176.35 177.07 2rq9 s PRO 131 N -1.41 4.01 0.00 1.29 0.04 -1.26 -2.38 135.00 135.29 2rq9 s PRO 131 Ca 0.21 1.42 0.06 0.00 0.04 0.00 0.00 61.00 62.74 2rq9 s PRO 131 Cb -0.13 -3.86 0.04 0.00 0.04 0.00 0.00 34.50 30.59 2rq9 s PRO 131 CO 0.11 -1.00 0.64 1.55 0.04 0.00 0.00 177.00 178.34 2rq9 n VAL 132 N 5.95 0.00 -2.73 -0.36 3.14 -1.17 -4.82 118.33 118.34 2rq9 n VAL 132 Ca 0.15 -0.48 -0.04 0.00 -2.96 0.00 0.00 64.34 61.01 2rq9 n VAL 132 Cb 0.46 1.12 0.02 0.00 -1.06 0.00 0.00 33.84 34.37 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 0.16 -2.90 -3.53 6.55 2.88 -1.25 -5.02 113.62 110.52 2rq9 n SER 133 Ca 0.03 -2.39 -0.17 0.00 -1.33 0.00 0.00 58.87 55.01 2rq9 n SER 133 Cb 0.15 1.48 0.16 0.00 -0.75 0.00 0.00 64.21 65.25 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 2.80 -3.13 -3.81 -3.46 7.64 -1.26 -4.70 113.62 107.70 2rq9 n SER 134 Ca 0.16 -0.44 -0.23 0.00 1.01 0.00 0.00 58.87 59.36 2rq9 n SER 134 Cb 0.59 -0.78 -0.17 0.00 -1.01 0.00 0.00 64.21 62.84 2rq9 n SER 134 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 2rq9 s ASP 135 N -2.08 1.60 -0.08 6.43 1.47 -1.26 -4.98 116.67 117.76 2rq9 s ASP 135 Ca 0.37 -0.13 0.06 0.00 1.18 0.00 0.00 52.55 54.03 2rq9 s ASP 135 Cb -0.06 -0.51 -0.09 0.00 -0.34 0.00 0.00 42.92 41.91 2rq9 s ASP 135 CO 0.32 -0.16 0.01 -0.11 0.68 0.00 0.00 175.17 175.91 2rq9 n LEU 136 N 4.96 0.48 -4.57 2.11 7.94 -1.26 -4.94 117.00 121.71 2rq9 n LEU 136 Ca -0.10 -0.01 -0.40 0.00 -1.11 0.00 0.00 56.01 54.39 2rq9 n LEU 136 Cb 0.50 0.10 -0.03 0.00 0.53 0.00 0.00 43.42 44.52 2rq9 n LEU 136 CO 0.13 0.27 1.94 -0.62 -1.11 0.00 0.00 177.39 178.00 2rq9 n GLU 137 N -2.37 1.51 -3.81 1.96 1.02 -1.26 -4.84 120.64 112.85 2rq9 n GLU 137 Ca -0.14 0.27 -0.04 0.00 -0.02 0.00 0.00 57.16 57.24 2rq9 n GLU 137 Cb 0.74 -3.33 0.00 0.00 -0.02 0.00 0.00 31.44 28.83 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 10.22 -0.04 0.00 -0.32 -3.43 -1.26 -5.00 115.29 115.46 2rq9 s HIS 138 Ca 1.00 -0.34 0.00 0.00 -0.80 0.00 0.00 55.06 54.92 2rq9 s HIS 138 Cb -0.26 0.68 0.00 0.00 -1.43 0.00 0.00 32.58 31.57 2rq9 s HIS 138 CO 0.31 -0.93 0.00 1.58 -2.00 0.00 0.00 174.74 173.69 2rq9 n HIS 139 N -0.55 0.00 -1.91 0.38 -0.00 -1.26 -4.74 115.22 107.13 2rq9 n HIS 139 Ca -0.05 0.00 -0.29 0.00 0.46 0.00 0.00 57.72 57.84 2rq9 n HIS 139 Cb 0.60 0.00 -0.07 0.00 -0.12 0.00 0.00 29.99 30.41 2rq9 n HIS 139 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2rq9 n HIS 140 N 0.00 2.47 -2.65 1.57 -0.00 -1.26 -4.21 115.22 111.14 2rq9 n HIS 140 Ca 0.00 -1.39 -0.03 0.00 -0.00 0.00 0.00 57.72 56.29 2rq9 n HIS 140 Cb 0.00 -2.50 0.10 0.00 -0.00 0.00 0.00 29.99 27.59 2rq9 n HIS 140 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2rq9 n HIS 141 N 14.00 -0.08 -3.90 1.57 -0.00 -1.26 -5.15 115.22 120.40 2rq9 n HIS 141 Ca 0.45 -0.53 -0.23 0.00 -0.00 0.00 0.00 57.72 57.41 2rq9 n HIS 141 Cb 0.46 1.06 -0.06 0.00 -0.00 0.00 0.00 29.99 31.45 2rq9 n HIS 141 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2rq9 s HIS 142 N 0.01 2.65 -2.32 1.57 3.76 -1.26 -5.17 115.29 114.53 2rq9 s HIS 142 Ca 0.23 -0.55 0.19 0.00 -0.15 0.00 0.00 55.06 54.77 2rq9 s HIS 142 Cb 0.25 -2.05 0.15 0.00 1.11 0.00 0.00 32.58 32.04 2rq9 s HIS 142 CO -0.14 0.06 1.09 1.58 -0.85 0.00 0.00 174.74 176.49