#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rq9 h ASN 2 N 0.00 0.77 -2.60 7.83 7.08 -2.08 -3.44 115.58 123.14 2rq9 h ASN 2 Ca 0.00 -0.93 -0.31 0.00 -3.08 0.00 0.00 56.30 51.98 2rq9 h ASN 2 Cb 0.00 -0.25 -0.36 0.00 -2.08 0.00 0.00 38.32 35.63 2rq9 h ASN 2 CO 0.00 1.66 -0.62 -0.47 -2.08 0.00 0.00 177.43 175.92 2rq9 s TYR 3 N -2.57 -0.27 -0.40 4.14 5.04 -1.26 -5.09 117.35 116.94 2rq9 s TYR 3 Ca -0.10 0.29 0.02 0.00 -2.44 0.00 0.00 57.07 54.84 2rq9 s TYR 3 Cb 0.03 -0.34 0.12 0.00 0.35 0.00 0.00 41.96 42.12 2rq9 s TYR 3 CO 0.92 -0.56 0.16 0.21 -1.34 0.00 0.00 175.55 174.95 2rq9 s LYS 4 N 2.33 1.37 0.07 4.97 2.20 -1.26 -5.09 119.74 124.32 2rq9 s LYS 4 Ca 0.06 -1.90 0.04 0.00 -0.36 0.00 0.00 55.97 53.80 2rq9 s LYS 4 Cb -0.15 -2.71 -0.03 0.00 -1.51 0.00 0.00 37.83 33.43 2rq9 s LYS 4 CO -0.11 -1.05 -0.11 -1.59 -0.36 0.00 0.00 175.35 172.13 2rq9 s LYS 5 N 0.63 0.73 0.68 4.03 -2.85 -1.26 -5.15 119.74 116.56 2rq9 s LYS 5 Ca 0.14 -0.97 -0.11 0.00 -1.00 0.00 0.00 55.97 54.03 2rq9 s LYS 5 Cb -0.22 -0.54 0.00 0.00 -2.06 0.00 0.00 37.83 35.01 2rq9 s LYS 5 CO -0.08 0.10 1.06 -1.25 0.10 0.00 0.00 175.35 175.28 2rq9 s PRO 6 N -2.08 2.98 0.04 1.78 0.04 -1.26 -4.52 135.00 131.98 2rq9 s PRO 6 Ca -0.02 0.98 -0.04 0.00 0.04 0.00 0.00 61.00 61.96 2rq9 s PRO 6 Cb -0.07 -2.00 -0.02 0.00 0.04 0.00 0.00 34.50 32.45 2rq9 s PRO 6 CO 0.01 -1.06 0.05 0.15 0.04 0.00 0.00 177.00 176.19 2rq9 s LYS 7 N -4.95 0.55 -0.10 4.56 1.02 0.34 -2.85 119.74 118.30 2rq9 s LYS 7 Ca 0.58 -0.82 -0.04 0.00 0.02 0.00 0.00 55.97 55.72 2rq9 s LYS 7 Cb -0.14 0.21 -0.04 0.00 -0.52 0.00 0.00 37.83 37.34 2rq9 s LYS 7 CO 0.53 -0.13 0.07 -0.51 -0.92 0.00 0.00 175.35 174.40 2rq9 s LEU 8 N -2.16 3.97 -0.35 3.17 1.43 0.99 -3.26 118.68 122.47 2rq9 s LEU 8 Ca -0.05 0.30 -0.20 0.00 -1.03 0.00 0.00 54.13 53.16 2rq9 s LEU 8 Cb -0.01 -1.94 -0.00 0.00 0.03 0.00 0.00 46.19 44.27 2rq9 s LEU 8 CO -0.05 0.39 0.60 -0.76 0.23 0.00 0.00 176.35 176.76 2rq9 s LEU 9 N -0.94 4.27 0.19 1.79 2.01 -1.26 0.76 118.68 125.49 2rq9 s LEU 9 Ca 0.14 0.12 -0.24 0.00 0.01 0.00 0.00 54.13 54.17 2rq9 s LEU 9 Cb -0.12 -2.73 -0.08 0.00 0.01 0.00 0.00 46.19 43.27 2rq9 s LEU 9 CO 0.03 -0.55 0.77 -0.47 1.01 0.00 0.00 176.35 177.14 2rq9 s TYR 10 N 2.60 3.82 -0.72 0.29 5.04 -0.03 -2.90 117.35 125.46 2rq9 s TYR 10 Ca 0.23 1.57 0.04 0.00 -2.44 0.00 0.00 57.07 56.47 2rq9 s TYR 10 Cb -0.15 -2.73 0.25 0.00 0.35 0.00 0.00 41.96 39.68 2rq9 s TYR 10 CO 0.14 0.45 0.86 0.00 -1.34 0.00 0.00 175.55 175.66 2rq9 n SER 12 N 1.02 0.16 -0.32 0.00 3.41 -1.25 0.20 113.62 116.84 2rq9 n SER 12 Ca 0.29 1.09 0.07 0.00 -0.26 0.00 0.00 58.87 60.05 2rq9 n SER 12 Cb 0.39 -0.53 0.17 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 -0.66 0.00 4.04 -1.24 -0.83 -3.31 115.58 113.58 2rq9 h ASN 13 Ca 0.71 0.26 0.00 0.00 0.71 0.00 0.00 56.30 57.98 2rq9 h ASN 13 Cb 2.33 0.50 0.00 0.00 0.73 0.00 0.00 38.32 41.88 2rq9 h ASN 13 CO -0.35 -0.29 -0.75 0.61 -1.29 0.00 0.00 177.43 175.36 2rq9 n GLY 14 N -1.53 0.00 0.00 1.57 0.00 0.43 -4.92 105.19 100.75 2rq9 n GLY 14 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 2rq9 n GLY 14 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2rq9 n GLY 15 N 2.91 0.80 3.26 -0.02 0.00 0.55 -5.03 105.19 107.65 2rq9 n GLY 15 Ca 0.00 -0.74 -0.14 0.00 0.00 0.00 0.00 46.02 45.14 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 -1.59 1.31 -0.03 1.61 3.76 -1.25 -4.65 115.29 114.44 2rq9 s HIS 16 Ca 0.00 -1.13 0.02 0.00 -0.15 0.00 0.00 55.06 53.80 2rq9 s HIS 16 Cb 0.00 -0.74 -0.03 0.00 1.11 0.00 0.00 32.58 32.91 2rq9 s HIS 16 CO 0.00 -0.32 -0.06 -0.06 -0.85 0.00 0.00 174.74 173.45 2rq9 s PHE 17 N -3.76 2.93 -0.35 1.40 0.08 0.46 -1.61 117.98 117.12 2rq9 s PHE 17 Ca 0.31 0.00 -0.29 0.00 0.12 0.00 0.00 56.93 57.07 2rq9 s PHE 17 Cb 0.07 -1.67 0.01 0.00 -0.57 0.00 0.00 43.02 40.87 2rq9 s PHE 17 CO 0.08 0.36 1.17 -1.17 -0.10 0.00 0.00 175.22 175.57 2rq9 s LEU 18 N -1.11 3.83 0.19 -0.37 2.96 -1.14 -0.74 118.68 122.30 2rq9 s LEU 18 Ca 0.15 0.95 0.10 0.00 -0.22 0.00 0.00 54.13 55.12 2rq9 s LEU 18 Cb -0.11 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 42.99 2rq9 s LEU 18 CO 0.04 -1.05 -0.18 0.00 -1.32 0.00 0.00 176.35 173.85 2rq9 s ARG 19 N 4.05 1.76 -0.18 1.98 1.70 -0.89 -4.71 118.95 122.67 2rq9 s ARG 19 Ca 0.50 -1.42 0.01 0.00 -0.47 0.00 0.00 55.73 54.35 2rq9 s ARG 19 Cb -0.12 -1.98 0.03 0.00 -0.57 0.00 0.00 34.95 32.31 2rq9 s ARG 19 CO 0.22 0.41 -0.12 0.42 -1.08 0.00 0.00 175.30 175.16 2rq9 s ILE 20 N -1.71 1.60 0.53 4.99 1.01 -1.26 -2.91 121.20 123.45 2rq9 s ILE 20 Ca 0.23 -0.83 -0.11 0.00 0.00 0.00 0.00 60.65 59.93 2rq9 s ILE 20 Cb -0.08 -1.60 -0.05 0.00 0.01 0.00 0.00 42.46 40.74 2rq9 s ILE 20 CO 0.12 0.30 0.93 -0.76 0.00 0.00 0.00 174.94 175.54 2rq9 s LEU 21 N 1.44 3.50 0.00 2.97 1.43 0.11 -4.80 118.68 123.34 2rq9 s LEU 21 Ca 0.02 1.33 0.24 0.00 -1.03 0.00 0.00 54.13 54.69 2rq9 s LEU 21 Cb -0.15 -4.31 1.36 0.00 0.03 0.00 0.00 46.19 43.12 2rq9 s LEU 21 CO -0.09 -0.67 1.78 -0.81 0.23 0.00 0.00 176.35 176.79 2rq9 n PRO 22 N -2.11 0.64 -0.23 1.29 -0.04 -1.26 -2.01 135.00 131.28 2rq9 n PRO 22 Ca 0.05 0.02 0.11 0.00 -0.04 0.00 0.00 63.50 63.64 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 -1.07 3.30 -1.12 3.54 8.00 -1.26 -4.92 116.55 123.02 2rq9 n ASP 23 Ca 0.16 -1.97 -0.04 0.00 0.71 0.00 0.00 54.79 53.65 2rq9 n ASP 23 Cb 0.11 -0.30 0.02 0.00 -0.02 0.00 0.00 41.12 40.92 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 1.49 0.64 3.31 0.44 0.00 -0.85 -5.06 105.19 105.16 2rq9 n GLY 24 Ca 0.20 -0.49 -0.27 0.00 0.00 0.00 0.00 46.02 45.46 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 1.93 -0.11 2.61 2.01 -1.23 -4.35 115.64 113.44 2rq9 s THR 25 Ca 0.10 -1.43 -0.00 0.00 0.31 0.00 0.00 61.69 60.67 2rq9 s THR 25 Cb -0.04 -1.69 0.02 0.00 0.01 0.00 0.00 72.50 70.80 2rq9 s THR 25 CO 0.14 0.18 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.49 2rq9 s VAL 26 N -0.91 1.01 0.10 3.82 1.01 -1.26 0.10 120.40 124.26 2rq9 s VAL 26 Ca 0.10 -0.29 -0.06 0.00 0.00 0.00 0.00 61.98 61.73 2rq9 s VAL 26 Cb -0.10 -1.02 -0.02 0.00 0.00 0.00 0.00 36.38 35.25 2rq9 s VAL 26 CO 0.03 0.36 0.15 -1.81 0.00 0.00 0.00 175.10 173.83 2rq9 s ASP 27 N 1.61 0.20 0.02 3.32 1.01 -1.14 -4.47 116.67 117.21 2rq9 s ASP 27 Ca 0.03 -0.85 -0.18 0.00 0.71 0.00 0.00 52.55 52.26 2rq9 s ASP 27 Cb -0.13 0.33 -0.06 0.00 1.01 0.00 0.00 42.92 44.07 2rq9 s ASP 27 CO -0.07 -0.74 0.52 -0.83 0.21 0.00 0.00 175.17 174.26 2rq9 s GLY 28 N -2.92 2.58 0.01 0.21 0.00 -1.14 -2.09 107.32 103.97 2rq9 s GLY 28 Ca 0.11 -0.06 -0.01 0.00 0.00 0.00 0.00 44.72 44.76 2rq9 s GLY 28 CO -0.07 0.43 0.00 -1.08 0.00 0.00 0.00 173.10 172.39 2rq9 s THR 29 N -0.83 0.06 -0.30 0.90 -1.32 0.08 -4.79 115.64 109.44 2rq9 s THR 29 Ca 0.27 -0.47 0.08 0.00 -1.21 0.00 0.00 61.69 60.36 2rq9 s THR 29 Cb -0.18 -0.16 0.45 0.00 -1.51 0.00 0.00 72.50 71.10 2rq9 s THR 29 CO 0.16 -0.26 1.28 -2.11 -2.21 0.00 0.00 174.62 171.49 2rq9 n ARG 30 N 2.29 2.87 -3.90 7.08 1.85 -1.26 0.17 116.66 125.76 2rq9 n ARG 30 Ca -0.18 -3.80 -0.29 0.00 -1.00 0.00 0.00 57.85 52.57 2rq9 n ARG 30 Cb 0.57 -2.07 -0.13 0.00 -1.05 0.00 0.00 32.46 29.78 2rq9 n ARG 30 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 2rq9 s ASP 31 N -3.29 4.32 0.48 2.89 -1.08 -1.26 -4.94 116.67 113.78 2rq9 s ASP 31 Ca 0.48 -3.19 0.37 0.00 -0.52 0.00 0.00 52.55 49.69 2rq9 s ASP 31 Cb 0.41 -1.55 1.56 0.00 -1.46 0.00 0.00 42.92 41.87 2rq9 s ASP 31 CO 0.00 -0.20 1.59 0.03 0.52 0.00 0.00 175.17 177.12 2rq9 h ARG 32 N 6.23 0.02 -0.95 4.34 -0.00 -2.04 0.43 114.38 122.41 2rq9 h ARG 32 Ca -0.01 -0.00 0.20 0.00 -0.50 0.00 0.00 59.98 59.67 2rq9 h ARG 32 Cb 0.86 -0.00 -0.18 0.00 0.00 0.00 0.00 29.97 30.65 2rq9 h ARG 32 CO 0.67 0.01 -0.21 1.03 0.00 0.00 0.00 179.97 181.47 2rq9 h SER 33 N 0.02 -0.85 -2.00 7.04 0.87 -2.01 -3.39 113.55 113.22 2rq9 h SER 33 Ca 0.88 0.28 -0.64 0.00 -1.23 0.00 0.00 61.79 61.09 2rq9 h SER 33 Cb 3.05 0.58 0.09 0.00 -0.44 0.00 0.00 62.40 65.68 2rq9 h SER 33 CO -0.32 -0.32 0.16 -0.67 -0.53 0.00 0.00 176.83 175.15 2rq9 n ASP 34 N -5.59 1.10 -0.01 6.23 2.03 0.15 -4.87 116.55 115.59 2rq9 n ASP 34 Ca 0.16 1.15 0.10 0.00 0.52 0.00 0.00 54.79 56.72 2rq9 n ASP 34 Cb 0.50 -1.21 -0.15 0.00 -0.72 0.00 0.00 41.12 39.54 2rq9 n ASP 34 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2rq9 n GLN 35 N 1.40 0.60 0.06 -0.67 1.13 -1.26 -4.28 117.38 114.36 2rq9 n GLN 35 Ca 0.14 -0.17 -0.02 0.00 -1.94 0.00 0.00 57.00 55.01 2rq9 n GLN 35 Cb 0.26 -1.46 0.25 0.00 0.11 0.00 0.00 30.24 29.40 2rq9 n GLN 35 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 2rq9 h HIS 36 N 0.00 0.40 -0.54 1.08 3.86 -1.91 -2.19 115.15 115.85 2rq9 h HIS 36 Ca 0.00 -0.08 0.09 0.00 -1.16 0.00 0.00 60.37 59.22 2rq9 h HIS 36 Cb 0.87 -0.10 -0.03 0.00 1.06 0.00 0.00 27.41 29.20 2rq9 h HIS 36 CO 0.00 0.60 0.37 -0.84 0.86 0.00 0.00 177.93 178.92 2rq9 h ILE 37 N 0.32 0.89 -0.58 2.45 3.07 -1.85 -3.38 117.51 118.43 2rq9 h ILE 37 Ca 0.05 -0.12 -0.26 0.00 1.55 0.00 0.00 64.86 66.08 2rq9 h ILE 37 Cb 0.64 0.52 -0.03 0.00 -0.27 0.00 0.00 36.82 37.68 2rq9 h ILE 37 CO 0.05 0.06 1.07 0.00 -1.05 0.00 0.00 178.15 178.28 2rq9 n GLN 38 N -4.46 0.51 -4.01 0.16 6.02 -0.82 -4.75 117.38 110.03 2rq9 n GLN 38 Ca 0.09 -0.35 -0.33 0.00 -0.01 0.00 0.00 57.00 56.40 2rq9 n GLN 38 Cb 0.37 -2.84 -0.06 0.00 1.02 0.00 0.00 30.24 28.73 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 10.62 4.11 -0.32 1.08 1.43 -1.20 -3.57 118.68 130.83 2rq9 s LEU 39 Ca 1.07 0.22 -0.09 0.00 -1.03 0.00 0.00 54.13 54.31 2rq9 s LEU 39 Cb -0.42 -2.47 0.01 0.00 0.03 0.00 0.00 46.19 43.33 2rq9 s LEU 39 CO 0.28 0.25 0.13 -1.10 0.23 0.00 0.00 176.35 176.14 2rq9 s GLN 40 N -1.92 3.15 -0.01 1.70 -1.52 -0.38 0.13 119.66 120.80 2rq9 s GLN 40 Ca 0.26 -0.84 -0.18 0.00 -1.95 0.00 0.00 55.36 52.65 2rq9 s GLN 40 Cb -0.12 -3.52 -0.06 0.00 -0.22 0.00 0.00 33.01 29.09 2rq9 s GLN 40 CO 0.17 -0.48 0.50 -0.51 -0.25 0.00 0.00 175.29 174.73 2rq9 s LEU 41 N 1.56 4.43 0.11 2.90 1.02 -1.26 -3.14 118.68 124.31 2rq9 s LEU 41 Ca 0.03 1.05 0.03 0.00 0.02 0.00 0.00 54.13 55.26 2rq9 s LEU 41 Cb -0.17 -2.76 -0.04 0.00 0.02 0.00 0.00 46.19 43.23 2rq9 s LEU 41 CO 0.05 0.19 -0.08 -0.44 0.02 0.00 0.00 176.35 176.09 2rq9 s SER 42 N -0.50 1.35 -0.08 2.29 0.01 -0.75 -4.91 113.70 111.10 2rq9 s SER 42 Ca 0.27 -1.01 0.03 0.00 1.31 0.00 0.00 55.95 56.56 2rq9 s SER 42 Cb -0.17 0.06 0.00 0.00 0.21 0.00 0.00 66.02 66.12 2rq9 s SER 42 CO 0.15 -0.42 -0.19 0.00 0.41 0.00 0.00 173.24 173.18 2rq9 s ALA 43 N -3.53 1.80 -0.03 1.44 0.00 -1.26 -0.47 121.76 119.70 2rq9 s ALA 43 Ca 0.13 -0.75 -0.02 0.00 0.00 0.00 0.00 51.96 51.33 2rq9 s ALA 43 Cb 0.04 -0.70 -0.01 0.00 0.00 0.00 0.00 23.12 22.45 2rq9 s ALA 43 CO -0.03 0.23 -0.04 0.39 0.00 0.00 0.00 175.76 176.30 2rq9 n GLU 44 N 3.61 0.07 -4.35 0.00 1.02 -1.25 -5.03 120.64 114.71 2rq9 n GLU 44 Ca -0.20 0.03 -0.19 0.00 -0.02 0.00 0.00 57.16 56.78 2rq9 n GLU 44 Cb 0.52 -0.64 -0.10 0.00 -0.02 0.00 0.00 31.44 31.20 2rq9 n GLU 44 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 2rq9 s SER 45 N -5.23 2.56 0.14 1.62 0.01 -1.26 -5.06 113.70 106.48 2rq9 s SER 45 Ca -0.04 -1.03 -0.33 0.00 1.31 0.00 0.00 55.95 55.86 2rq9 s SER 45 Cb 0.02 -0.13 -0.12 0.00 0.21 0.00 0.00 66.02 65.99 2rq9 s SER 45 CO 0.06 -0.19 1.73 0.52 0.41 0.00 0.00 173.24 175.77 2rq9 n VAL 46 N -0.39 0.17 -2.44 3.43 0.31 -1.26 -0.95 118.33 117.21 2rq9 n VAL 46 Ca -0.08 -0.03 -0.12 0.00 -0.01 0.00 0.00 64.34 64.10 2rq9 n VAL 46 Cb 0.61 -1.89 0.01 0.00 -0.91 0.00 0.00 33.84 31.66 2rq9 n VAL 46 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2rq9 n GLY 47 N 3.93 -0.05 2.86 2.92 0.00 -1.26 -5.02 105.19 108.58 2rq9 n GLY 47 Ca 0.18 -0.34 -0.13 0.00 0.00 0.00 0.00 46.02 45.72 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 -4.86 0.01 0.02 1.61 2.02 -0.12 -3.46 118.70 113.92 2rq9 s GLU 48 Ca 0.08 0.08 -0.04 0.00 0.02 0.00 0.00 54.97 55.12 2rq9 s GLU 48 Cb -0.04 -0.06 -0.01 0.00 0.10 0.00 0.00 34.13 34.12 2rq9 s GLU 48 CO 0.10 -0.05 0.05 0.14 0.02 0.00 0.00 175.26 175.52 2rq9 s VAL 49 N 0.33 0.11 -0.10 2.63 -7.23 0.27 -3.80 120.40 112.61 2rq9 s VAL 49 Ca -0.03 -0.94 0.02 0.00 -1.81 0.00 0.00 61.98 59.22 2rq9 s VAL 49 Cb -0.04 -0.54 -0.01 0.00 0.56 0.00 0.00 36.38 36.35 2rq9 s VAL 49 CO -0.01 -0.52 -0.18 -0.31 -0.31 0.00 0.00 175.10 173.77 2rq9 s TYR 50 N -1.87 2.67 -0.31 2.82 2.02 0.38 -0.49 117.35 122.57 2rq9 s TYR 50 Ca -0.12 -0.66 -0.00 0.00 -0.37 0.00 0.00 57.07 55.92 2rq9 s TYR 50 Cb -0.06 -1.74 0.07 0.00 -0.40 0.00 0.00 41.96 39.83 2rq9 s TYR 50 CO -0.02 -0.19 0.02 0.42 -1.57 0.00 0.00 175.55 174.21 2rq9 s ILE 51 N 0.07 2.82 0.03 2.71 1.01 -1.25 -1.82 121.20 124.77 2rq9 s ILE 51 Ca -0.08 -1.64 0.04 0.00 0.00 0.00 0.00 60.65 58.97 2rq9 s ILE 51 Cb -0.15 -2.72 -0.02 0.00 0.01 0.00 0.00 42.46 39.58 2rq9 s ILE 51 CO 0.05 -0.24 -0.11 -0.75 0.00 0.00 0.00 174.94 173.89 2rq9 s LYS 52 N 1.17 0.79 0.13 2.79 2.36 -1.19 0.49 119.74 126.29 2rq9 s LYS 52 Ca -0.02 -0.64 -0.27 0.00 -2.55 0.00 0.00 55.97 52.49 2rq9 s LYS 52 Cb -0.20 -0.75 -0.07 0.00 -1.05 0.00 0.00 37.83 35.76 2rq9 s LYS 52 CO -0.03 0.19 0.84 0.45 1.55 0.00 0.00 175.35 178.34 2rq9 s SER 53 N -0.97 7.40 0.00 1.43 0.15 0.93 -1.25 113.70 121.39 2rq9 s SER 53 Ca -0.00 1.66 0.24 0.00 0.70 0.00 0.00 55.95 58.55 2rq9 s SER 53 Cb -0.07 -2.53 0.29 0.00 -1.71 0.00 0.00 66.02 62.00 2rq9 s SER 53 CO 0.01 0.09 1.27 0.35 1.20 0.00 0.00 173.24 176.16 2rq9 n THR 54 N 2.20 0.00 -0.03 6.45 -2.24 -1.23 -3.34 114.28 116.09 2rq9 n THR 54 Ca -0.02 -0.21 -0.01 0.00 -2.27 0.00 0.00 64.05 61.54 2rq9 n THR 54 Cb 0.49 0.92 -0.00 0.00 -2.10 0.00 0.00 70.33 69.64 2rq9 n THR 54 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 2rq9 h GLU 55 N 1.94 0.00 0.05 -0.78 4.57 -1.85 -3.44 114.58 115.07 2rq9 h GLU 55 Ca 0.00 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2rq9 h GLU 55 Cb 0.66 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.25 2rq9 h GLU 55 CO 0.00 0.00 -0.02 1.79 -1.18 0.00 0.00 179.01 179.60 2rq9 h THR 56 N -0.44 0.00 0.00 0.32 1.35 -1.87 -3.50 112.91 108.77 2rq9 h THR 56 Ca 0.00 -0.47 0.00 0.00 -0.55 0.00 0.00 66.41 65.39 2rq9 h THR 56 Cb 0.12 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.54 2rq9 h THR 56 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 2rq9 n GLY 57 N 1.58 0.63 3.33 5.82 0.00 -1.21 -5.09 105.19 110.24 2rq9 n GLY 57 Ca -0.01 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.84 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 0.00 1.28 -0.07 1.61 -0.21 -1.25 -4.97 119.66 116.06 2rq9 s GLN 58 Ca 0.00 -1.60 0.01 0.00 0.02 0.00 0.00 55.36 53.79 2rq9 s GLN 58 Cb 0.00 -0.85 -0.03 0.00 1.00 0.00 0.00 33.01 33.13 2rq9 s GLN 58 CO 0.00 0.06 -0.09 0.71 -2.12 0.00 0.00 175.29 173.85 2rq9 s TYR 59 N -3.19 2.87 -0.24 0.91 2.02 -1.16 -0.05 117.35 118.50 2rq9 s TYR 59 Ca 0.23 -0.08 -0.29 0.00 -0.37 0.00 0.00 57.07 56.56 2rq9 s TYR 59 Cb 0.03 -1.71 0.00 0.00 -0.40 0.00 0.00 41.96 39.88 2rq9 s TYR 59 CO 0.06 0.24 1.19 -1.17 -1.57 0.00 0.00 175.55 174.30 2rq9 s LEU 60 N -0.66 4.05 0.04 -1.29 2.96 0.18 -0.54 118.68 123.42 2rq9 s LEU 60 Ca 0.10 1.40 0.02 0.00 -0.22 0.00 0.00 54.13 55.43 2rq9 s LEU 60 Cb -0.11 -3.54 -0.02 0.00 0.50 0.00 0.00 46.19 43.02 2rq9 s LEU 60 CO 0.01 -0.83 -0.07 0.00 -1.32 0.00 0.00 176.35 174.15 2rq9 s ALA 61 N 3.65 0.50 -0.29 5.97 0.00 0.10 -4.28 121.76 127.41 2rq9 s ALA 61 Ca 0.51 -0.70 -0.09 0.00 0.00 0.00 0.00 51.96 51.68 2rq9 s ALA 61 Cb -0.17 0.05 -0.02 0.00 0.00 0.00 0.00 23.12 22.97 2rq9 s ALA 61 CO 0.14 -0.03 0.14 1.41 0.00 0.00 0.00 175.76 177.42 2rq9 s MET 62 N -1.45 3.53 0.00 0.00 1.75 -1.23 -0.41 119.30 121.49 2rq9 s MET 62 Ca -0.10 -0.58 0.00 0.00 -1.25 0.00 0.00 55.69 53.76 2rq9 s MET 62 Cb -0.09 -3.51 0.00 0.00 2.84 0.00 0.00 34.83 34.06 2rq9 s MET 62 CO 0.00 -0.31 0.00 -3.47 -0.65 0.00 0.00 175.02 170.59 2rq9 n ASP 63 N 4.98 -0.10 0.12 1.11 -0.08 -1.04 -4.88 116.55 116.65 2rq9 n ASP 63 Ca -0.15 -0.25 0.12 0.00 -1.51 0.00 0.00 54.79 53.00 2rq9 n ASP 63 Cb 0.50 0.00 0.10 0.00 2.34 0.00 0.00 41.12 44.06 2rq9 n ASP 63 CO 0.00 0.00 0.00 0.71 0.12 0.00 0.00 177.20 178.03 2rq9 h THR 64 N -0.47 0.00 0.00 5.18 1.35 -1.98 -3.26 112.91 113.73 2rq9 h THR 64 Ca 0.00 -0.84 -0.02 0.00 -0.55 0.00 0.00 66.41 65.00 2rq9 h THR 64 Cb 0.00 1.48 -0.00 0.00 -1.73 0.00 0.00 68.15 67.90 2rq9 h THR 64 CO 0.00 0.00 -0.09 0.44 -0.25 0.00 0.00 175.52 175.62 2rq9 h ASP 65 N 0.00 0.00 0.00 5.36 5.19 -2.03 -3.46 116.42 121.48 2rq9 h ASP 65 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2rq9 h ASP 65 Cb 0.92 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.43 2rq9 h ASP 65 CO 0.00 0.09 0.00 0.61 -3.12 0.00 0.00 179.24 176.82 2rq9 n GLY 66 N -0.41 0.13 3.97 2.75 0.00 -1.23 -4.71 105.19 105.69 2rq9 n GLY 66 Ca -0.01 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.79 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 3.19 -0.02 0.99 2.01 -1.26 -0.81 118.68 122.78 2rq9 s LEU 67 Ca 0.00 0.06 -0.01 0.00 0.01 0.00 0.00 54.13 54.19 2rq9 s LEU 67 Cb 0.00 -2.90 -0.04 0.00 0.01 0.00 0.00 46.19 43.26 2rq9 s LEU 67 CO 0.00 -1.23 0.09 -0.76 1.01 0.00 0.00 176.35 175.46 2rq9 s LEU 68 N -4.85 3.96 0.15 1.79 1.43 -1.26 -2.50 118.68 117.41 2rq9 s LEU 68 Ca 0.58 0.19 -0.10 0.00 -1.03 0.00 0.00 54.13 53.77 2rq9 s LEU 68 Cb -0.10 -2.26 -0.00 0.00 0.03 0.00 0.00 46.19 43.86 2rq9 s LEU 68 CO 0.39 0.29 0.30 -0.72 0.23 0.00 0.00 176.35 176.84 2rq9 s TYR 69 N -1.17 0.26 -0.18 0.29 -0.85 0.45 -4.28 117.35 111.87 2rq9 s TYR 69 Ca 0.22 -0.64 -0.18 0.00 -0.52 0.00 0.00 57.07 55.95 2rq9 s TYR 69 Cb -0.12 0.01 -0.03 0.00 0.38 0.00 0.00 41.96 42.19 2rq9 s TYR 69 CO 0.13 -0.71 0.51 0.20 -1.52 0.00 0.00 175.55 174.16 2rq9 s GLY 70 N -2.93 2.15 0.02 5.49 0.00 -1.26 -0.72 107.32 110.08 2rq9 s GLY 70 Ca 0.13 -0.34 -0.16 0.00 0.00 0.00 0.00 44.72 44.35 2rq9 s GLY 70 CO -0.03 1.01 0.45 -0.45 0.00 0.00 0.00 173.10 174.07 2rq9 s SER 71 N 1.02 6.87 0.18 1.64 0.15 0.30 -4.83 113.70 119.03 2rq9 s SER 71 Ca 0.25 1.03 0.04 0.00 0.70 0.00 0.00 55.95 57.97 2rq9 s SER 71 Cb -0.15 -2.28 0.05 0.00 -1.71 0.00 0.00 66.02 61.93 2rq9 s SER 71 CO 0.10 0.31 1.42 -0.61 1.20 0.00 0.00 173.24 175.66 2rq9 h GLN 72 N 4.66 0.15 -6.34 5.44 4.15 -1.93 -3.08 115.11 118.16 2rq9 h GLN 72 Ca -0.51 -0.15 -0.62 0.00 0.77 0.00 0.00 58.65 58.14 2rq9 h GLN 72 Cb 1.22 0.04 -0.17 0.00 0.21 0.00 0.00 27.48 28.78 2rq9 h GLN 72 CO 0.62 0.89 -0.79 0.95 -1.93 0.00 0.00 178.83 178.57 2rq9 s THR 73 N -3.26 2.32 -0.44 2.39 -4.23 -1.26 -4.98 115.64 106.18 2rq9 s THR 73 Ca -0.02 -2.18 -0.29 0.00 -1.18 0.00 0.00 61.69 58.03 2rq9 s THR 73 Cb 0.11 -2.16 0.01 0.00 1.34 0.00 0.00 72.50 71.79 2rq9 s THR 73 CO 0.81 -0.27 1.43 -2.16 -0.54 0.00 0.00 174.62 173.89 2rq9 s PRO 74 N -3.05 3.50 0.14 3.99 0.04 -1.26 -4.94 135.00 133.42 2rq9 s PRO 74 Ca 0.24 0.85 0.07 0.00 0.04 0.00 0.00 61.00 62.20 2rq9 s PRO 74 Cb -0.06 -4.05 -0.04 0.00 0.04 0.00 0.00 34.50 30.38 2rq9 s PRO 74 CO 0.11 -1.66 -0.16 -0.80 0.04 0.00 0.00 177.00 174.53 2rq9 s ASN 75 N 4.15 2.36 0.57 6.66 0.01 -1.26 -5.00 114.94 122.43 2rq9 s ASN 75 Ca 0.60 -0.83 0.34 0.00 -0.71 0.00 0.00 52.86 52.26 2rq9 s ASN 75 Cb -0.13 -0.12 1.46 0.00 0.41 0.00 0.00 41.25 42.87 2rq9 s ASN 75 CO 0.31 -0.08 1.73 -0.33 -1.51 0.00 0.00 177.10 177.22 2rq9 h GLU 76 N 3.39 0.00 0.00 -0.60 3.07 -1.94 1.53 114.58 120.04 2rq9 h GLU 76 Ca -0.41 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.45 2rq9 h GLU 76 Cb 1.20 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.11 2rq9 h GLU 76 CO 0.51 0.00 -0.00 0.93 -1.40 0.00 0.00 179.01 179.04 2rq9 h GLU 77 N 0.00 0.00 0.00 2.33 5.08 -1.94 0.41 114.58 120.46 2rq9 h GLU 77 Ca 0.50 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.83 2rq9 h GLU 77 Cb 2.23 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 31.47 2rq9 h GLU 77 CO -0.01 0.00 -0.36 0.00 -1.00 0.00 0.00 179.01 177.65 2rq9 s LEU 79 N -6.07 4.27 0.28 0.00 2.96 0.14 -3.89 118.68 116.37 2rq9 s LEU 79 Ca 0.04 1.14 0.08 0.00 -0.22 0.00 0.00 54.13 55.17 2rq9 s LEU 79 Cb 0.07 -3.09 -0.06 0.00 0.50 0.00 0.00 46.19 43.61 2rq9 s LEU 79 CO 0.71 -0.19 -0.09 -0.36 -1.32 0.00 0.00 176.35 175.11 2rq9 s PHE 80 N 1.20 2.03 -0.22 5.38 0.40 0.35 -1.93 117.98 125.19 2rq9 s PHE 80 Ca 0.36 -0.61 -0.08 0.00 -0.60 0.00 0.00 56.93 56.00 2rq9 s PHE 80 Cb -0.17 -1.11 -0.04 0.00 0.51 0.00 0.00 43.02 42.21 2rq9 s PHE 80 CO 0.16 0.38 0.08 -0.51 0.70 0.00 0.00 175.22 176.03 2rq9 s LEU 81 N -3.46 3.72 0.07 -0.37 2.01 0.27 0.94 118.68 121.86 2rq9 s LEU 81 Ca 0.29 -0.02 0.04 0.00 0.01 0.00 0.00 54.13 54.45 2rq9 s LEU 81 Cb 0.02 -1.97 -0.04 0.00 0.01 0.00 0.00 46.19 44.21 2rq9 s LEU 81 CO 0.12 0.08 0.00 -0.70 1.01 0.00 0.00 176.35 176.86 2rq9 s GLU 82 N 0.95 2.60 0.18 1.70 -6.30 -1.23 -1.20 118.70 115.41 2rq9 s GLU 82 Ca 0.04 -0.79 -0.10 0.00 -2.50 0.00 0.00 54.97 51.63 2rq9 s GLU 82 Cb -0.14 -2.57 -0.01 0.00 0.00 0.00 0.00 34.13 31.42 2rq9 s GLU 82 CO 0.03 0.56 0.32 0.50 0.02 0.00 0.00 175.26 176.69 2rq9 s ARG 83 N -2.14 1.24 -0.18 4.30 3.52 -1.17 -4.70 118.95 119.82 2rq9 s ARG 83 Ca 0.24 -1.19 -0.05 0.00 -0.13 0.00 0.00 55.73 54.60 2rq9 s ARG 83 Cb -0.12 0.40 -0.03 0.00 -1.56 0.00 0.00 34.95 33.64 2rq9 s ARG 83 CO 0.17 -0.47 0.00 -1.17 -0.81 0.00 0.00 175.30 173.02 2rq9 s LEU 84 N -2.98 3.39 0.33 -0.88 1.98 -1.26 -2.59 118.68 116.66 2rq9 s LEU 84 Ca 0.19 -0.11 0.07 0.00 -2.89 0.00 0.00 54.13 51.39 2rq9 s LEU 84 Cb 0.03 -1.84 -0.02 0.00 0.66 0.00 0.00 46.19 45.01 2rq9 s LEU 84 CO 0.02 0.13 0.37 -1.61 -1.89 0.00 0.00 176.35 173.37 2rq9 s GLU 85 N 0.61 2.93 -0.26 1.98 0.41 -0.57 -5.00 118.70 118.80 2rq9 s GLU 85 Ca -0.00 -1.14 -0.05 0.00 -0.41 0.00 0.00 54.97 53.37 2rq9 s GLU 85 Cb -0.14 -2.65 -0.08 0.00 -1.78 0.00 0.00 34.13 29.49 2rq9 s GLU 85 CO 0.02 0.10 3.12 0.39 -0.49 0.00 0.00 175.26 178.40 2rq9 n GLU 86 N -1.48 2.21 -0.92 1.61 1.02 -1.26 -3.50 120.64 118.32 2rq9 n GLU 86 Ca -0.02 -1.75 -0.02 0.00 -0.02 0.00 0.00 57.16 55.35 2rq9 n GLU 86 Cb 0.59 -2.07 -0.02 0.00 -0.02 0.00 0.00 31.44 29.92 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 1.55 -0.17 -3.01 1.62 4.13 -1.26 -4.97 115.26 113.15 2rq9 n ASN 87 Ca 0.46 -1.76 -0.20 0.00 1.68 0.00 0.00 54.58 54.76 2rq9 n ASN 87 Cb 0.71 0.02 0.01 0.00 -1.54 0.00 0.00 39.78 38.98 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 0.11 -1.71 -4.15 3.10 -0.00 -1.23 -4.94 115.22 106.40 2rq9 n HIS 88 Ca -0.10 0.35 -0.14 0.00 0.46 0.00 0.00 57.72 58.29 2rq9 n HIS 88 Cb 0.75 -3.33 -0.11 0.00 -0.12 0.00 0.00 29.99 27.18 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 -2.92 0.98 0.22 1.57 2.02 -1.26 -4.91 117.35 113.06 2rq9 s TYR 89 Ca 0.26 -0.61 0.10 0.00 -0.37 0.00 0.00 57.07 56.44 2rq9 s TYR 89 Cb -0.13 -0.55 -0.04 0.00 -0.40 0.00 0.00 41.96 40.84 2rq9 s TYR 89 CO 0.32 -0.02 -0.08 -0.80 -1.57 0.00 0.00 175.55 173.39 2rq9 s ASN 90 N -2.20 4.23 0.32 2.29 -0.87 0.52 -1.52 114.94 117.71 2rq9 s ASN 90 Ca 0.01 -0.66 0.06 0.00 -1.57 0.00 0.00 52.86 50.70 2rq9 s ASN 90 Cb -0.05 -0.69 -0.06 0.00 -0.02 0.00 0.00 41.25 40.43 2rq9 s ASN 90 CO 0.00 0.06 -0.02 0.42 -2.57 0.00 0.00 177.10 174.99 2rq9 s THR 91 N -1.99 1.66 -0.11 1.60 -4.23 -1.07 0.19 115.64 111.70 2rq9 s THR 91 Ca 0.27 -2.08 -0.07 0.00 -1.18 0.00 0.00 61.69 58.63 2rq9 s THR 91 Cb -0.08 -2.64 0.04 0.00 1.34 0.00 0.00 72.50 71.16 2rq9 s THR 91 CO 0.16 -0.17 0.26 -0.31 -0.54 0.00 0.00 174.62 174.03 2rq9 s TYR 92 N -2.98 -0.34 0.05 3.99 2.02 -1.25 -3.03 117.35 115.81 2rq9 s TYR 92 Ca 0.32 0.80 0.05 0.00 -0.37 0.00 0.00 57.07 57.87 2rq9 s TYR 92 Cb 0.06 0.08 -0.02 0.00 -0.40 0.00 0.00 41.96 41.67 2rq9 s TYR 92 CO 0.14 -0.22 -0.13 0.42 -1.57 0.00 0.00 175.55 174.19 2rq9 s ILE 93 N 0.97 1.05 0.22 2.71 1.01 -0.34 -2.78 121.20 124.04 2rq9 s ILE 93 Ca -0.07 -1.13 -0.30 0.00 0.00 0.00 0.00 60.65 59.15 2rq9 s ILE 93 Cb -0.08 -0.99 -0.08 0.00 0.01 0.00 0.00 42.46 41.31 2rq9 s ILE 93 CO -0.06 -0.13 1.05 -0.55 0.00 0.00 0.00 174.94 175.25 2rq9 s SER 94 N -1.44 7.37 0.00 3.58 0.15 -1.25 0.96 113.70 123.07 2rq9 s SER 94 Ca -0.01 2.10 0.00 0.00 0.70 0.00 0.00 55.95 58.74 2rq9 s SER 94 Cb -0.09 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.61 2rq9 s SER 94 CO 0.02 -0.10 0.68 1.17 1.20 0.00 0.00 173.24 176.21 2rq9 n LYS 95 N 1.81 0.00 -0.37 5.44 0.00 -0.81 0.19 118.16 124.41 2rq9 n LYS 95 Ca 0.00 0.29 0.38 0.00 0.00 0.00 0.00 58.31 58.98 2rq9 n LYS 95 Cb 0.46 -1.22 0.71 0.00 0.00 0.00 0.00 35.03 34.98 2rq9 n LYS 95 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.40 177.18 2rq9 h LYS 96 N 0.00 0.00 -1.62 1.64 3.64 -1.83 0.76 116.57 119.15 2rq9 h LYS 96 Ca 0.00 0.00 -0.56 0.00 -1.27 0.00 0.00 60.65 58.82 2rq9 h LYS 96 Cb 0.00 0.00 -0.42 0.00 -0.41 0.00 0.00 32.23 31.40 2rq9 h LYS 96 CO 0.00 0.00 -0.77 0.72 -2.27 0.00 0.00 179.45 177.13 2rq9 n HIS 97 N -3.85 3.24 -0.09 1.91 8.25 -1.07 -4.70 115.22 118.92 2rq9 n HIS 97 Ca 0.29 -3.27 -0.11 0.00 -0.26 0.00 0.00 57.72 54.37 2rq9 n HIS 97 Cb 1.48 -0.19 -0.15 0.00 1.12 0.00 0.00 29.99 32.24 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 -0.38 1.48 0.21 -1.41 0.00 0.50 -3.88 120.51 117.03 2rq9 n ALA 98 Ca 0.34 -1.19 0.09 0.00 0.00 0.00 0.00 53.44 52.68 2rq9 n ALA 98 Cb 0.63 -0.31 0.38 0.00 0.00 0.00 0.00 19.45 20.14 2rq9 n ALA 98 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 2rq9 h GLU 99 N 0.00 0.00 0.00 0.00 4.11 -1.81 -2.18 114.58 114.70 2rq9 h GLU 99 Ca -0.50 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.93 2rq9 h GLU 99 Cb 2.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.42 2rq9 h GLU 99 CO 0.03 0.26 0.00 1.63 0.07 0.00 0.00 179.01 181.00 2rq9 n LYS 100 N -3.37 0.99 -3.73 1.06 5.02 -1.26 -4.91 118.16 111.97 2rq9 n LYS 100 Ca 0.00 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.01 2rq9 n LYS 100 Cb 0.48 -1.44 0.02 0.00 -0.02 0.00 0.00 35.03 34.07 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 -0.94 -5.23 -4.45 4.39 3.02 -0.82 -4.81 115.26 106.43 2rq9 n ASN 101 Ca 0.21 -0.94 -0.33 0.00 -0.03 0.00 0.00 54.58 53.48 2rq9 n ASN 101 Cb 0.10 -2.65 -0.13 0.00 -0.61 0.00 0.00 39.78 36.49 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 2.87 0.08 3.10 0.51 -1.25 -4.72 118.94 116.28 2rq9 s TRP 102 Ca 0.26 -0.38 0.06 0.00 -2.12 0.00 0.00 56.10 53.92 2rq9 s TRP 102 Cb -0.11 -1.82 -0.04 0.00 -0.81 0.00 0.00 33.47 30.69 2rq9 s TRP 102 CO 0.88 -0.02 -0.10 -0.06 -0.51 0.00 0.00 176.95 177.15 2rq9 s PHE 103 N -0.00 2.75 0.00 -1.98 0.40 -1.22 -3.87 117.98 114.07 2rq9 s PHE 103 Ca -0.02 -0.14 0.00 0.00 -0.60 0.00 0.00 56.93 56.17 2rq9 s PHE 103 Cb -0.14 -1.46 0.00 0.00 0.51 0.00 0.00 43.02 41.93 2rq9 s PHE 103 CO 0.04 0.41 0.00 0.28 0.70 0.00 0.00 175.22 176.64 2rq9 n VAL 104 N 0.89 0.00 -1.16 -0.44 0.31 -1.12 -4.43 118.33 112.39 2rq9 n VAL 104 Ca -0.14 0.19 0.13 0.00 -0.01 0.00 0.00 64.34 64.51 2rq9 n VAL 104 Cb 0.52 -1.02 -0.05 0.00 -0.91 0.00 0.00 33.84 32.39 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 0.62 -1.81 2.86 2.92 0.00 -1.24 -3.93 105.19 104.61 2rq9 n GLY 105 Ca 0.00 -0.73 -0.17 0.00 0.00 0.00 0.00 46.02 45.12 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 -5.91 1.45 1.05 0.99 1.43 -1.26 -2.17 118.68 114.26 2rq9 s LEU 106 Ca 0.00 -0.05 -0.14 0.00 -1.03 0.00 0.00 54.13 52.91 2rq9 s LEU 106 Cb 0.00 -0.24 0.20 0.00 0.03 0.00 0.00 46.19 46.18 2rq9 s LEU 106 CO 0.00 -0.05 0.44 0.29 0.23 0.00 0.00 176.35 177.26 2rq9 n LYS 107 N 3.77 -2.62 0.00 1.70 5.02 0.57 -4.61 118.16 121.99 2rq9 n LYS 107 Ca -0.23 -0.78 0.14 0.00 -2.02 0.00 0.00 58.31 55.42 2rq9 n LYS 107 Cb 0.53 -1.51 0.52 0.00 -0.02 0.00 0.00 35.03 34.55 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 -2.24 0.53 -0.15 1.97 0.00 -1.26 -3.16 118.16 113.85 2rq9 n LYS 108 Ca 0.07 -0.21 0.06 0.00 0.00 0.00 0.00 58.31 58.23 2rq9 n LYS 108 Cb 0.35 -1.50 0.19 0.00 0.00 0.00 0.00 35.03 34.07 2rq9 n LYS 108 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 2rq9 n ASN 109 N -1.05 1.71 -1.69 3.14 2.85 -1.26 -4.88 115.26 114.08 2rq9 n ASN 109 Ca 0.12 -1.94 -0.10 0.00 -0.11 0.00 0.00 54.58 52.55 2rq9 n ASN 109 Cb 0.30 -0.20 0.03 0.00 1.24 0.00 0.00 39.78 41.16 2rq9 n ASN 109 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2rq9 n GLY 110 N 1.03 0.27 3.24 8.20 0.00 -1.19 -5.04 105.19 111.71 2rq9 n GLY 110 Ca 0.12 -0.32 -0.13 0.00 0.00 0.00 0.00 46.02 45.69 2rq9 n GLY 110 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2rq9 s SER 111 N -3.05 0.92 0.23 1.61 1.04 -1.26 -2.86 113.70 110.32 2rq9 s SER 111 Ca 0.21 -1.26 -0.30 0.00 0.48 0.00 0.00 55.95 55.08 2rq9 s SER 111 Cb -0.09 0.19 -0.09 0.00 0.10 0.00 0.00 66.02 66.13 2rq9 s SER 111 CO 0.26 -0.67 1.38 0.00 0.98 0.00 0.00 173.24 175.18 2rq9 s LYS 113 N -0.28 4.28 0.59 0.00 2.20 -0.92 -4.45 119.74 121.17 2rq9 s LYS 113 Ca 0.58 0.50 -0.16 0.00 -0.36 0.00 0.00 55.97 56.54 2rq9 s LYS 113 Cb -0.39 -3.50 -0.13 0.00 -1.51 0.00 0.00 37.83 32.29 2rq9 s LYS 113 CO 0.41 -0.02 -0.32 0.54 -0.36 0.00 0.00 175.35 175.60 2rq9 n ARG 114 N 4.29 0.00 -0.05 4.03 3.00 -1.26 -4.77 116.66 121.90 2rq9 n ARG 114 Ca -0.05 0.00 -0.15 0.00 -0.01 0.00 0.00 57.85 57.65 2rq9 n ARG 114 Cb 0.51 -0.88 -0.13 0.00 0.00 0.00 0.00 32.46 31.96 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 -0.30 0.04 0.51 -0.13 0.00 -1.18 -3.25 103.07 98.75 2rq9 h GLY 115 Ca -0.37 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 46.85 2rq9 h GLY 115 CO 0.31 0.09 0.00 -1.55 0.00 0.00 0.00 176.54 175.39 2rq9 n PRO 116 N -4.57 0.75 -1.92 4.80 -0.04 -1.26 -2.98 135.00 129.78 2rq9 n PRO 116 Ca -0.10 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.09 2rq9 n PRO 116 Cb 0.51 -1.25 0.03 0.00 -0.04 0.00 0.00 33.50 32.74 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 -0.75 3.42 -4.44 0.54 5.12 -1.23 -5.02 116.66 114.30 2rq9 n ARG 117 Ca 0.09 -4.02 -0.21 0.00 -1.93 0.00 0.00 57.85 51.78 2rq9 n ARG 117 Cb 0.04 -2.28 -0.10 0.00 -1.16 0.00 0.00 32.46 28.96 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 -4.71 1.45 0.27 0.55 -4.23 -1.16 -4.76 115.64 103.06 2rq9 s THR 118 Ca 0.53 -2.06 -0.16 0.00 -1.18 0.00 0.00 61.69 58.82 2rq9 s THR 118 Cb 0.43 -2.61 0.06 0.00 1.34 0.00 0.00 72.50 71.72 2rq9 s THR 118 CO 0.01 -0.17 0.83 1.57 -0.54 0.00 0.00 174.62 176.31 2rq9 n HIS 119 N -0.63 -1.82 -3.54 3.99 -0.00 -1.26 -4.94 115.22 107.02 2rq9 n HIS 119 Ca -0.04 -1.46 -0.38 0.00 -0.00 0.00 0.00 57.72 55.84 2rq9 n HIS 119 Cb 0.65 0.72 -0.06 0.00 -0.00 0.00 0.00 29.99 31.30 2rq9 n HIS 119 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.34 177.05 2rq9 s TYR 120 N -2.60 3.66 0.00 1.57 2.02 -1.26 -4.04 117.35 116.71 2rq9 s TYR 120 Ca 0.17 0.88 0.00 0.00 -0.37 0.00 0.00 57.07 57.75 2rq9 s TYR 120 Cb -0.04 -2.27 0.00 0.00 -0.40 0.00 0.00 41.96 39.25 2rq9 s TYR 120 CO 0.08 0.57 0.00 0.41 -1.57 0.00 0.00 175.55 175.04 2rq9 n GLY 121 N 2.16 0.32 3.87 0.71 0.00 -1.26 -5.08 105.19 105.92 2rq9 n GLY 121 Ca -0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.86 3.40 0.00 1.61 -0.21 -1.26 -4.96 119.66 117.39 2rq9 s GLN 122 Ca 0.00 0.66 0.19 0.00 0.02 0.00 0.00 55.36 56.23 2rq9 s GLN 122 Cb 0.00 -2.07 0.52 0.00 1.00 0.00 0.00 33.01 32.46 2rq9 s GLN 122 CO 0.00 -0.68 1.43 1.17 -2.12 0.00 0.00 175.29 175.09 2rq9 n LYS 123 N -2.80 2.29 -0.11 2.91 3.00 -1.26 -3.91 118.16 118.27 2rq9 n LYS 123 Ca 0.06 -1.99 -0.22 0.00 -0.00 0.00 0.00 58.31 56.16 2rq9 n LYS 123 Cb 0.55 -1.45 -0.11 0.00 0.00 0.00 0.00 35.03 34.02 2rq9 n LYS 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2rq9 n ALA 124 N 1.13 0.83 0.26 3.14 0.00 -1.26 -0.19 120.51 124.42 2rq9 n ALA 124 Ca 0.19 -0.58 0.12 0.00 0.00 0.00 0.00 53.44 53.17 2rq9 n ALA 124 Cb 0.49 -0.44 0.70 0.00 0.00 0.00 0.00 19.45 20.19 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 0.62 -2.88 0.00 3.07 -1.86 -3.29 117.51 112.17 2rq9 h ILE 125 Ca -0.39 -0.55 -0.55 0.00 1.55 0.00 0.00 64.86 64.92 2rq9 h ILE 125 Cb 1.32 1.35 -0.05 0.00 -0.27 0.00 0.00 36.82 39.17 2rq9 h ILE 125 CO -0.24 0.13 1.14 -0.76 -1.05 0.00 0.00 178.15 177.37 2rq9 s LEU 126 N -7.39 3.46 0.06 0.16 1.43 -1.25 -4.04 118.68 111.12 2rq9 s LEU 126 Ca -0.03 0.60 0.08 0.00 -1.03 0.00 0.00 54.13 53.75 2rq9 s LEU 126 Cb 0.13 -3.22 -0.03 0.00 0.03 0.00 0.00 46.19 43.10 2rq9 s LEU 126 CO 0.60 -1.68 -0.23 -0.36 0.23 0.00 0.00 176.35 174.90 2rq9 s PHE 127 N 6.25 2.00 -0.15 0.29 0.40 0.52 -3.84 117.98 123.45 2rq9 s PHE 127 Ca 0.60 -0.39 -0.00 0.00 -0.60 0.00 0.00 56.93 56.54 2rq9 s PHE 127 Cb -0.13 -1.17 0.03 0.00 0.51 0.00 0.00 43.02 42.26 2rq9 s PHE 127 CO 0.28 0.14 -0.09 -1.17 0.70 0.00 0.00 175.22 175.08 2rq9 s LEU 128 N -1.36 1.57 -0.20 -0.37 0.20 -1.12 0.20 118.68 117.59 2rq9 s LEU 128 Ca 0.09 -0.54 -0.29 0.00 0.69 0.00 0.00 54.13 54.08 2rq9 s LEU 128 Cb -0.09 -0.99 -0.01 0.00 -0.43 0.00 0.00 46.19 44.67 2rq9 s LEU 128 CO 0.03 -0.13 1.29 -2.16 -0.29 0.00 0.00 176.35 175.09 2rq9 s PRO 129 N 1.60 4.14 0.05 0.98 0.04 -1.25 -0.85 135.00 139.71 2rq9 s PRO 129 Ca 0.03 1.58 -0.00 0.00 0.04 0.00 0.00 61.00 62.64 2rq9 s PRO 129 Cb -0.14 -3.81 -0.04 0.00 0.04 0.00 0.00 34.50 30.55 2rq9 s PRO 129 CO -0.09 -0.83 0.20 -0.51 0.04 0.00 0.00 177.00 175.82 2rq9 s LEU 130 N 3.78 4.34 0.30 -3.56 2.01 0.23 -4.84 118.68 120.94 2rq9 s LEU 130 Ca 0.56 0.28 -0.28 0.00 0.01 0.00 0.00 54.13 54.69 2rq9 s LEU 130 Cb -0.21 -2.86 -0.09 0.00 0.01 0.00 0.00 46.19 43.03 2rq9 s LEU 130 CO 0.17 0.19 1.07 -2.16 1.01 0.00 0.00 176.35 176.64 2rq9 s PRO 131 N -2.38 4.56 0.15 1.29 0.04 -1.26 -0.00 135.00 137.40 2rq9 s PRO 131 Ca 0.33 1.72 -0.11 0.00 0.04 0.00 0.00 61.00 62.97 2rq9 s PRO 131 Cb -0.13 -3.06 0.01 0.00 0.04 0.00 0.00 34.50 31.35 2rq9 s PRO 131 CO 0.26 0.17 0.32 0.54 0.04 0.00 0.00 177.00 178.32 2rq9 s VAL 132 N -1.27 0.08 -0.41 -0.36 0.11 -1.13 -4.81 120.40 112.61 2rq9 s VAL 132 Ca 0.47 -1.13 -0.32 0.00 -2.93 0.00 0.00 61.98 58.08 2rq9 s VAL 132 Cb -0.29 -1.59 0.05 0.00 -1.53 0.00 0.00 36.38 33.01 2rq9 s VAL 132 CO 0.37 -0.35 0.59 -0.24 -3.33 0.00 0.00 175.10 172.15 2rq9 n SER 133 N -0.20 -6.08 -3.24 3.54 2.88 -1.26 -4.23 113.62 105.03 2rq9 n SER 133 Ca -0.11 0.04 -0.03 0.00 -1.33 0.00 0.00 58.87 57.45 2rq9 n SER 133 Cb 0.63 -2.40 -0.04 0.00 -0.75 0.00 0.00 64.21 61.65 2rq9 n SER 133 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2rq9 s SER 134 N -1.64 -0.58 -0.19 -3.46 0.01 -1.26 -4.64 113.70 101.93 2rq9 s SER 134 Ca 0.33 0.42 -0.19 0.00 1.31 0.00 0.00 55.95 57.81 2rq9 s SER 134 Cb -0.04 1.63 0.05 0.00 0.21 0.00 0.00 66.02 67.87 2rq9 s SER 134 CO 0.79 -0.29 0.54 -0.62 0.41 0.00 0.00 173.24 174.07 2rq9 s ASP 135 N 2.70 -0.56 0.76 2.44 -1.08 -1.26 -5.16 116.67 114.51 2rq9 s ASP 135 Ca 0.15 1.05 -0.01 0.00 -0.52 0.00 0.00 52.55 53.22 2rq9 s ASP 135 Cb -0.14 1.07 0.02 0.00 -1.46 0.00 0.00 42.92 42.41 2rq9 s ASP 135 CO -0.21 -0.21 0.05 0.18 0.52 0.00 0.00 175.17 175.51 2rq9 n LEU 136 N 2.69 0.00 -1.49 -1.34 7.99 -1.26 -4.84 117.00 118.75 2rq9 n LEU 136 Ca -0.14 -0.05 0.10 0.00 -0.01 0.00 0.00 56.01 55.90 2rq9 n LEU 136 Cb 0.56 -0.07 -0.05 0.00 -0.11 0.00 0.00 43.42 43.75 2rq9 n LEU 136 CO 0.10 -1.47 -0.56 1.21 -1.51 0.00 0.00 177.39 175.16 2rq9 n GLU 137 N -1.61 -3.54 -2.77 3.23 2.13 -1.26 -4.95 120.64 111.87 2rq9 n GLU 137 Ca 0.01 2.83 -0.02 0.00 0.66 0.00 0.00 57.16 60.64 2rq9 n GLU 137 Cb 0.04 -3.84 -0.01 0.00 0.27 0.00 0.00 31.44 27.89 2rq9 n GLU 137 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 2rq9 n HIS 138 N -3.60 -3.41 -3.01 4.31 8.25 -1.26 -5.05 115.22 111.46 2rq9 n HIS 138 Ca -0.05 1.70 0.04 0.00 -0.26 0.00 0.00 57.72 59.14 2rq9 n HIS 138 Cb 0.58 -3.43 0.00 0.00 1.12 0.00 0.00 29.99 28.26 2rq9 n HIS 138 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2rq9 s HIS 139 N -1.16 -0.60 0.38 4.41 5.04 -1.26 -5.07 115.29 117.03 2rq9 s HIS 139 Ca -0.09 0.23 0.00 0.00 -1.54 0.00 0.00 55.06 53.67 2rq9 s HIS 139 Cb 0.01 0.11 0.00 0.00 0.04 0.00 0.00 32.58 32.73 2rq9 s HIS 139 CO 0.64 -0.37 0.00 0.72 -2.34 0.00 0.00 174.74 173.39 2rq9 n HIS 140 N 4.53 -2.48 -2.97 3.88 8.25 -1.26 -4.88 115.22 120.29 2rq9 n HIS 140 Ca 0.08 1.36 -0.36 0.00 -0.26 0.00 0.00 57.72 58.54 2rq9 n HIS 140 Cb 0.60 -2.26 -0.06 0.00 1.12 0.00 0.00 29.99 29.38 2rq9 n HIS 140 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2rq9 s HIS 141 N -4.19 3.61 -0.18 4.41 2.46 -1.26 -5.04 115.29 115.10 2rq9 s HIS 141 Ca 0.00 1.53 -0.18 0.00 0.47 0.00 0.00 55.06 56.88 2rq9 s HIS 141 Cb 0.00 -2.74 -0.03 0.00 -0.13 0.00 0.00 32.58 29.68 2rq9 s HIS 141 CO 0.00 0.23 0.51 -1.58 -2.47 0.00 0.00 174.74 171.42 2rq9 s HIS 142 N -1.66 3.41 -2.14 3.88 5.04 -1.26 -5.26 115.29 117.30 2rq9 s HIS 142 Ca 0.48 0.80 0.31 0.00 -1.54 0.00 0.00 55.06 55.11 2rq9 s HIS 142 Cb -0.16 -2.64 1.68 0.00 0.04 0.00 0.00 32.58 31.50 2rq9 s HIS 142 CO 0.21 -0.03 2.10 -2.39 -2.34 0.00 0.00 174.74 172.29