#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rq9 s ASN 2 N 0.00 0.85 -0.11 6.12 4.22 -1.26 -4.91 114.94 119.85 2rq9 s ASN 2 Ca 0.00 -0.92 0.03 0.00 -2.14 0.00 0.00 52.86 49.82 2rq9 s ASN 2 Cb 0.00 0.12 0.01 0.00 1.28 0.00 0.00 41.25 42.66 2rq9 s ASN 2 CO 0.00 -0.47 -0.18 -0.47 -2.04 0.00 0.00 177.10 173.94 2rq9 s TYR 3 N -3.35 2.18 0.15 1.54 5.04 -1.26 -5.07 117.35 116.59 2rq9 s TYR 3 Ca 0.06 -0.98 -0.31 0.00 -2.44 0.00 0.00 57.07 53.41 2rq9 s TYR 3 Cb 0.04 -1.52 -0.08 0.00 0.35 0.00 0.00 41.96 40.74 2rq9 s TYR 3 CO -0.06 -0.46 1.36 0.15 -1.34 0.00 0.00 175.55 175.21 2rq9 s LYS 4 N 0.73 4.34 0.18 4.97 -0.14 -1.26 -5.00 119.74 123.57 2rq9 s LYS 4 Ca -0.11 2.08 -0.20 0.00 -1.36 0.00 0.00 55.97 56.38 2rq9 s LYS 4 Cb -0.16 -3.22 0.04 0.00 -1.68 0.00 0.00 37.83 32.81 2rq9 s LYS 4 CO 0.02 -0.36 0.56 0.15 -0.76 0.00 0.00 175.35 174.96 2rq9 s LYS 5 N 0.56 1.35 0.59 1.68 1.02 -1.26 -5.16 119.74 118.52 2rq9 s LYS 5 Ca 0.61 -0.71 -0.16 0.00 0.02 0.00 0.00 55.97 55.74 2rq9 s LYS 5 Cb -0.37 0.55 -0.04 0.00 -0.52 0.00 0.00 37.83 37.45 2rq9 s LYS 5 CO 0.34 -0.58 1.05 -1.25 -0.92 0.00 0.00 175.35 173.98 2rq9 s PRO 6 N -3.82 3.38 0.06 -1.68 0.04 -1.26 -4.33 135.00 127.40 2rq9 s PRO 6 Ca 0.05 1.16 -0.05 0.00 0.04 0.00 0.00 61.00 62.21 2rq9 s PRO 6 Cb -0.01 -2.04 -0.02 0.00 0.04 0.00 0.00 34.50 32.46 2rq9 s PRO 6 CO -0.07 -0.75 0.08 0.15 0.04 0.00 0.00 177.00 176.45 2rq9 s LYS 7 N -4.11 0.69 -0.05 4.56 3.01 0.89 -4.15 119.74 120.57 2rq9 s LYS 7 Ca 0.63 -1.02 -0.00 0.00 -1.01 0.00 0.00 55.97 54.56 2rq9 s LYS 7 Cb -0.15 0.26 -0.03 0.00 -1.01 0.00 0.00 37.83 36.90 2rq9 s LYS 7 CO 0.37 -0.17 -0.02 -0.51 0.51 0.00 0.00 175.35 175.53 2rq9 s LEU 8 N -2.72 3.46 -0.38 3.17 1.43 -0.83 -3.60 118.68 119.20 2rq9 s LEU 8 Ca 0.04 0.06 -0.20 0.00 -1.03 0.00 0.00 54.13 52.99 2rq9 s LEU 8 Cb 0.05 -1.85 0.01 0.00 0.03 0.00 0.00 46.19 44.43 2rq9 s LEU 8 CO -0.09 0.34 0.60 -0.76 0.23 0.00 0.00 176.35 176.67 2rq9 s LEU 9 N -1.08 4.36 -0.33 1.79 2.01 -1.26 -1.02 118.68 123.13 2rq9 s LEU 9 Ca 0.15 -0.05 -0.14 0.00 0.01 0.00 0.00 54.13 54.11 2rq9 s LEU 9 Cb -0.11 -2.71 -0.02 0.00 0.01 0.00 0.00 46.19 43.36 2rq9 s LEU 9 CO 0.05 -0.62 0.29 -0.47 1.01 0.00 0.00 176.35 176.60 2rq9 s TYR 10 N 2.65 3.22 -0.98 0.29 5.04 -0.84 -2.97 117.35 123.77 2rq9 s TYR 10 Ca 0.22 -0.10 -0.18 0.00 -2.44 0.00 0.00 57.07 54.57 2rq9 s TYR 10 Cb -0.15 -2.54 0.13 0.00 0.35 0.00 0.00 41.96 39.75 2rq9 s TYR 10 CO 0.16 -0.37 1.19 0.00 -1.34 0.00 0.00 175.55 175.19 2rq9 n SER 12 N 6.57 0.05 -0.25 0.00 3.41 -1.26 0.20 113.62 122.34 2rq9 n SER 12 Ca 0.27 0.98 -0.06 0.00 -0.26 0.00 0.00 58.87 59.80 2rq9 n SER 12 Cb 0.48 -0.49 -0.01 0.00 -0.26 0.00 0.00 64.21 63.94 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 -1.41 0.00 4.04 -1.24 -1.44 -3.32 115.58 112.21 2rq9 h ASN 13 Ca 0.82 0.26 0.00 0.00 0.71 0.00 0.00 56.30 58.09 2rq9 h ASN 13 Cb 3.14 0.68 0.00 0.00 0.73 0.00 0.00 38.32 42.87 2rq9 h ASN 13 CO -0.12 -0.31 -0.99 0.61 -1.29 0.00 0.00 177.43 175.33 2rq9 n GLY 14 N -1.42 0.00 0.42 1.57 0.00 0.22 -4.94 105.19 101.04 2rq9 n GLY 14 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 3.16 0.79 3.47 -0.02 0.00 0.54 -5.02 105.19 108.11 2rq9 n GLY 15 Ca 0.00 -0.52 -0.23 0.00 0.00 0.00 0.00 46.02 45.27 2rq9 n GLY 15 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2rq9 s HIS 16 N -2.11 2.11 -0.04 1.61 3.76 -1.26 -4.54 115.29 114.81 2rq9 s HIS 16 Ca 0.00 -0.63 0.00 0.00 -0.15 0.00 0.00 55.06 54.28 2rq9 s HIS 16 Cb 0.00 -1.21 -0.03 0.00 1.11 0.00 0.00 32.58 32.45 2rq9 s HIS 16 CO 0.00 0.38 -0.01 -0.06 -0.85 0.00 0.00 174.74 174.21 2rq9 s PHE 17 N -2.88 3.09 -0.40 1.40 0.08 0.36 -2.41 117.98 117.23 2rq9 s PHE 17 Ca 0.31 0.12 -0.29 0.00 0.12 0.00 0.00 56.93 57.19 2rq9 s PHE 17 Cb 0.03 -1.72 0.02 0.00 -0.57 0.00 0.00 43.02 40.78 2rq9 s PHE 17 CO 0.13 0.45 1.20 -1.17 -0.10 0.00 0.00 175.22 175.73 2rq9 s LEU 18 N -1.19 3.73 0.11 -0.37 2.96 -1.16 -1.16 118.68 121.60 2rq9 s LEU 18 Ca 0.16 0.78 0.09 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 0.06 -1.18 -0.17 0.00 -1.32 0.00 0.00 176.35 173.74 2rq9 s ARG 19 N 4.32 1.84 -0.17 1.98 1.70 -0.92 -4.74 118.95 122.96 2rq9 s ARG 19 Ca 0.51 -1.15 0.00 0.00 -0.47 0.00 0.00 55.73 54.62 2rq9 s ARG 19 Cb -0.11 -2.14 0.03 0.00 -0.57 0.00 0.00 34.95 32.16 2rq9 s ARG 19 CO 0.27 0.49 -0.11 0.42 -1.08 0.00 0.00 175.30 175.28 2rq9 s ILE 20 N -1.14 1.52 0.48 4.99 1.01 -1.26 -2.94 121.20 123.87 2rq9 s ILE 20 Ca 0.18 -0.75 -0.12 0.00 0.00 0.00 0.00 60.65 59.96 2rq9 s ILE 20 Cb -0.11 -1.52 -0.06 0.00 0.01 0.00 0.00 42.46 40.78 2rq9 s ILE 20 CO 0.10 0.31 0.88 -0.76 0.00 0.00 0.00 174.94 175.48 2rq9 s LEU 21 N 1.48 3.65 0.00 2.97 1.43 0.34 -4.80 118.68 123.74 2rq9 s LEU 21 Ca 0.02 1.30 0.24 0.00 -1.03 0.00 0.00 54.13 54.65 2rq9 s LEU 21 Cb -0.14 -4.23 1.32 0.00 0.03 0.00 0.00 46.19 43.17 2rq9 s LEU 21 CO -0.09 -0.55 1.78 -0.81 0.23 0.00 0.00 176.35 176.90 2rq9 n PRO 22 N -1.72 0.58 -0.08 1.29 -0.04 -1.26 -1.98 135.00 131.78 2rq9 n PRO 22 Ca 0.04 0.03 0.12 0.00 -0.04 0.00 0.00 63.50 63.65 2rq9 n PRO 22 Cb 0.54 -1.50 0.28 0.00 -0.04 0.00 0.00 33.50 32.78 2rq9 n PRO 22 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2rq9 n ASP 23 N -1.12 2.56 -0.74 3.54 2.03 -1.26 -4.93 116.55 116.63 2rq9 n ASP 23 Ca 0.15 -1.84 0.00 0.00 0.52 0.00 0.00 54.79 53.62 2rq9 n ASP 23 Cb 0.12 -0.11 0.00 0.00 -0.72 0.00 0.00 41.12 40.41 2rq9 n ASP 23 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2rq9 n GLY 24 N 1.32 0.69 3.27 0.27 0.00 -0.84 -5.06 105.19 104.85 2rq9 n GLY 24 Ca 0.17 -0.57 -0.25 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.97 1.71 -0.10 2.61 2.01 -1.23 -4.50 115.64 113.17 2rq9 s THR 25 Ca 0.00 -1.40 -0.01 0.00 0.31 0.00 0.00 61.69 60.59 2rq9 s THR 25 Cb 0.00 -1.53 0.03 0.00 0.01 0.00 0.00 72.50 71.01 2rq9 s THR 25 CO 0.00 0.06 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.27 2rq9 s VAL 26 N -1.00 0.72 0.10 3.82 1.01 -1.26 -0.51 120.40 123.28 2rq9 s VAL 26 Ca 0.07 -0.11 -0.07 0.00 0.00 0.00 0.00 61.98 61.87 2rq9 s VAL 26 Cb -0.09 -0.81 -0.01 0.00 0.00 0.00 0.00 36.38 35.46 2rq9 s VAL 26 CO 0.03 0.31 0.17 -1.81 0.00 0.00 0.00 175.10 173.80 2rq9 s ASP 27 N 1.83 0.17 -0.08 3.32 1.01 -1.15 -4.15 116.67 117.61 2rq9 s ASP 27 Ca 0.05 -0.76 -0.13 0.00 0.71 0.00 0.00 52.55 52.42 2rq9 s ASP 27 Cb -0.13 0.33 -0.05 0.00 1.01 0.00 0.00 42.92 44.09 2rq9 s ASP 27 CO -0.07 -0.74 0.31 -0.83 0.21 0.00 0.00 175.17 174.06 2rq9 s GLY 28 N -2.89 2.32 -0.00 0.21 0.00 0.27 -2.18 107.32 105.05 2rq9 s GLY 28 Ca 0.08 -0.39 0.00 0.00 0.00 0.00 0.00 44.72 44.41 2rq9 s GLY 28 CO -0.09 0.13 -0.01 -1.08 0.00 0.00 0.00 173.10 172.05 2rq9 s THR 29 N -0.54 0.06 -0.59 0.90 -1.32 -0.31 -4.48 115.64 109.35 2rq9 s THR 29 Ca 0.20 -0.03 0.02 0.00 -1.21 0.00 0.00 61.69 60.67 2rq9 s THR 29 Cb -0.14 -0.06 0.40 0.00 -1.51 0.00 0.00 72.50 71.19 2rq9 s THR 29 CO 0.08 0.02 1.54 -1.14 -2.21 0.00 0.00 174.62 172.91 2rq9 n ARG 30 N 3.07 3.13 -3.62 7.08 0.63 -1.26 0.14 116.66 125.83 2rq9 n ARG 30 Ca -0.12 -3.99 -0.29 0.00 -0.92 0.00 0.00 57.85 52.52 2rq9 n ARG 30 Cb 0.60 -2.26 -0.15 0.00 0.45 0.00 0.00 32.46 31.09 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 -2.49 3.72 0.55 6.15 2.15 -1.26 -4.98 116.67 120.52 2rq9 s ASP 31 Ca 0.51 -1.50 0.30 0.00 0.43 0.00 0.00 52.55 52.29 2rq9 s ASP 31 Cb 0.43 -0.58 1.46 0.00 -0.30 0.00 0.00 42.92 43.93 2rq9 s ASP 31 CO -0.23 -0.42 1.91 0.03 -0.17 0.00 0.00 175.17 176.29 2rq9 h ARG 32 N 8.19 0.00 -0.94 4.34 3.08 -2.03 -1.24 114.38 125.78 2rq9 h ARG 32 Ca -0.16 0.00 0.21 0.00 0.07 0.00 0.00 59.98 60.10 2rq9 h ARG 32 Cb 1.01 0.00 -0.18 0.00 0.08 0.00 0.00 29.97 30.88 2rq9 h ARG 32 CO 0.45 0.00 -0.14 1.03 -1.07 0.00 0.00 179.97 180.24 2rq9 h SER 33 N 0.00 -0.72 -3.88 7.04 0.87 -2.01 -3.39 113.55 111.46 2rq9 h SER 33 Ca 0.32 0.28 -0.56 0.00 -1.23 0.00 0.00 61.79 60.60 2rq9 h SER 33 Cb 1.41 0.54 0.14 0.00 -0.44 0.00 0.00 62.40 64.05 2rq9 h SER 33 CO -0.00 -0.31 0.56 -0.67 -0.53 0.00 0.00 176.83 175.87 2rq9 n ASP 34 N -5.55 2.60 -0.09 6.23 -0.08 -0.47 -4.94 116.55 114.25 2rq9 n ASP 34 Ca 0.17 1.01 -0.13 0.00 -1.51 0.00 0.00 54.79 54.33 2rq9 n ASP 34 Cb 0.56 -1.55 -0.08 0.00 2.34 0.00 0.00 41.12 42.38 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 -0.69 0.45 -0.33 -0.67 1.13 -1.26 -4.42 117.38 111.59 2rq9 n GLN 35 Ca 0.09 0.11 0.36 0.00 -1.94 0.00 0.00 57.00 55.62 2rq9 n GLN 35 Cb 0.43 -1.36 0.72 0.00 0.11 0.00 0.00 30.24 30.15 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 -0.01 0.00 -0.96 1.08 3.86 -1.92 1.33 115.15 118.54 2rq9 h HIS 36 Ca -0.40 0.00 0.05 0.00 -1.16 0.00 0.00 60.37 58.86 2rq9 h HIS 36 Cb 1.62 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 30.03 2rq9 h HIS 36 CO 0.02 0.00 0.61 -0.84 0.86 0.00 0.00 177.93 178.58 2rq9 h ILE 37 N 0.00 1.10 -0.52 2.45 3.07 -1.85 -3.35 117.51 118.41 2rq9 h ILE 37 Ca 0.58 -0.39 -0.51 0.00 1.55 0.00 0.00 64.86 66.08 2rq9 h ILE 37 Cb 2.48 -0.14 -0.05 0.00 -0.27 0.00 0.00 36.82 38.84 2rq9 h ILE 37 CO -0.01 0.21 1.68 0.00 -1.05 0.00 0.00 178.15 178.98 2rq9 n GLN 38 N -4.52 0.36 -4.15 0.16 6.02 0.46 -4.64 117.38 111.07 2rq9 n GLN 38 Ca 0.14 0.02 -0.32 0.00 -0.01 0.00 0.00 57.00 56.83 2rq9 n GLN 38 Cb 0.15 -2.11 -0.08 0.00 1.02 0.00 0.00 30.24 29.23 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 9.64 3.66 -0.31 1.08 1.43 -1.24 -3.08 118.68 129.86 2rq9 s LEU 39 Ca 1.23 -0.02 -0.09 0.00 -1.03 0.00 0.00 54.13 54.22 2rq9 s LEU 39 Cb -0.94 -2.23 -0.00 0.00 0.03 0.00 0.00 46.19 43.04 2rq9 s LEU 39 CO 0.44 0.23 0.14 -1.58 0.23 0.00 0.00 176.35 175.80 2rq9 s GLN 40 N -1.98 3.25 -0.15 1.70 0.74 0.21 -0.08 119.66 123.35 2rq9 s GLN 40 Ca 0.24 -0.77 -0.08 0.00 0.05 0.00 0.00 55.36 54.80 2rq9 s GLN 40 Cb -0.12 -3.54 -0.04 0.00 1.10 0.00 0.00 33.01 30.41 2rq9 s GLN 40 CO 0.16 -0.44 0.13 -0.51 -0.55 0.00 0.00 175.29 174.08 2rq9 s LEU 41 N 1.59 4.26 0.10 3.68 1.02 -1.26 -1.32 118.68 126.75 2rq9 s LEU 41 Ca 0.04 0.36 -0.02 0.00 0.02 0.00 0.00 54.13 54.52 2rq9 s LEU 41 Cb -0.17 -2.06 -0.03 0.00 0.02 0.00 0.00 46.19 43.95 2rq9 s LEU 41 CO 0.05 0.32 0.06 -0.55 0.02 0.00 0.00 176.35 176.26 2rq9 s SER 42 N -0.51 0.33 -0.14 2.29 0.15 0.45 -4.74 113.70 111.54 2rq9 s SER 42 Ca 0.12 -1.05 0.02 0.00 0.70 0.00 0.00 55.95 55.74 2rq9 s SER 42 Cb -0.12 0.28 0.01 0.00 -1.71 0.00 0.00 66.02 64.48 2rq9 s SER 42 CO 0.02 -0.70 -0.20 0.00 1.20 0.00 0.00 173.24 173.56 2rq9 s ALA 43 N -3.98 2.31 -0.12 5.45 0.00 -1.26 0.20 121.76 124.35 2rq9 s ALA 43 Ca 0.16 -1.06 0.00 0.00 0.00 0.00 0.00 51.96 51.06 2rq9 s ALA 43 Cb 0.07 -1.03 -0.08 0.00 0.00 0.00 0.00 23.12 22.08 2rq9 s ALA 43 CO -0.04 0.02 -0.11 -1.91 0.00 0.00 0.00 175.76 173.72 2rq9 n GLU 44 N 3.97 0.31 -4.41 0.00 2.13 -1.18 -4.98 120.64 116.48 2rq9 n GLU 44 Ca -0.20 0.08 -0.20 0.00 0.66 0.00 0.00 57.16 57.50 2rq9 n GLU 44 Cb 0.52 -1.23 -0.10 0.00 0.27 0.00 0.00 31.44 30.90 2rq9 n GLU 44 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 2rq9 s SER 45 N -5.28 2.45 -0.04 4.31 0.01 -1.24 -5.04 113.70 108.86 2rq9 s SER 45 Ca -0.17 -1.25 -0.30 0.00 1.31 0.00 0.00 55.95 55.54 2rq9 s SER 45 Cb 0.05 -0.11 -0.07 0.00 0.21 0.00 0.00 66.02 66.10 2rq9 s SER 45 CO 0.28 -0.46 1.81 -0.69 0.41 0.00 0.00 173.24 174.59 2rq9 s VAL 46 N -3.18 3.33 0.00 3.43 1.01 -1.26 -0.63 120.40 123.10 2rq9 s VAL 46 Ca 0.31 0.40 0.00 0.00 0.00 0.00 0.00 61.98 62.69 2rq9 s VAL 46 Cb 0.06 -3.28 0.00 0.00 0.00 0.00 0.00 36.38 33.16 2rq9 s VAL 46 CO 0.12 -0.06 0.00 0.61 0.00 0.00 0.00 175.10 175.78 2rq9 n GLY 47 N 4.45 0.56 3.40 4.51 0.00 -1.26 -5.01 105.19 111.84 2rq9 n GLY 47 Ca 0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.20 2.84 0.08 1.61 2.02 0.20 0.05 118.70 125.30 2rq9 s GLU 48 Ca 0.00 -0.73 0.04 0.00 0.02 0.00 0.00 54.97 54.29 2rq9 s GLU 48 Cb 0.00 -2.43 -0.03 0.00 0.10 0.00 0.00 34.13 31.77 2rq9 s GLU 48 CO 0.00 0.42 -0.10 0.14 0.02 0.00 0.00 175.26 175.74 2rq9 s VAL 49 N -0.22 0.89 -0.09 2.63 -7.23 -0.26 -3.12 120.40 113.00 2rq9 s VAL 49 Ca 0.00 -1.45 0.04 0.00 -1.81 0.00 0.00 61.98 58.76 2rq9 s VAL 49 Cb -0.13 -1.14 -0.01 0.00 0.56 0.00 0.00 36.38 35.66 2rq9 s VAL 49 CO 0.03 -0.45 -0.22 -0.31 -0.31 0.00 0.00 175.10 173.84 2rq9 s TYR 50 N -1.97 2.57 -0.20 2.82 2.02 0.52 -2.07 117.35 121.03 2rq9 s TYR 50 Ca 0.01 -0.84 -0.03 0.00 -0.37 0.00 0.00 57.07 55.84 2rq9 s TYR 50 Cb -0.06 -1.69 -0.01 0.00 -0.40 0.00 0.00 41.96 39.80 2rq9 s TYR 50 CO 0.01 -0.29 -0.08 0.42 -1.57 0.00 0.00 175.55 174.03 2rq9 s ILE 51 N 0.13 3.16 0.02 2.71 1.01 -1.26 -0.41 121.20 126.56 2rq9 s ILE 51 Ca -0.11 -0.58 0.01 0.00 0.00 0.00 0.00 60.65 59.97 2rq9 s ILE 51 Cb -0.16 -2.41 -0.01 0.00 0.01 0.00 0.00 42.46 39.89 2rq9 s ILE 51 CO 0.06 0.46 -0.03 -0.75 0.00 0.00 0.00 174.94 174.68 2rq9 s LYS 52 N 1.22 0.27 0.16 2.79 2.20 -0.43 -1.03 119.74 124.92 2rq9 s LYS 52 Ca 0.02 -0.41 -0.30 0.00 -0.36 0.00 0.00 55.97 54.93 2rq9 s LYS 52 Cb -0.14 -0.06 -0.07 0.00 -1.51 0.00 0.00 37.83 36.05 2rq9 s LYS 52 CO -0.03 0.00 1.00 0.45 -0.36 0.00 0.00 175.35 176.41 2rq9 s SER 53 N -0.90 7.47 0.00 1.43 0.15 0.16 0.64 113.70 122.65 2rq9 s SER 53 Ca -0.08 1.92 0.25 0.00 0.70 0.00 0.00 55.95 58.74 2rq9 s SER 53 Cb -0.06 -2.60 0.50 0.00 -1.71 0.00 0.00 66.02 62.15 2rq9 s SER 53 CO -0.00 -0.06 1.41 0.35 1.20 0.00 0.00 173.24 176.13 2rq9 n THR 54 N 2.36 0.00 0.00 6.45 -2.24 -1.18 -3.39 114.28 116.28 2rq9 n THR 54 Ca 0.01 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 2rq9 n THR 54 Cb 0.48 0.42 0.00 0.00 -2.10 0.00 0.00 70.33 69.13 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 -1.13 0.00 0.38 -0.78 4.07 -1.26 -4.79 120.64 117.12 2rq9 n GLU 55 Ca 0.08 0.03 -0.15 0.00 -0.06 0.00 0.00 57.16 57.06 2rq9 n GLU 55 Cb 0.35 -0.26 -0.07 0.00 -0.06 0.00 0.00 31.44 31.39 2rq9 n GLU 55 CO 0.00 0.00 0.00 1.79 -0.06 0.00 0.00 177.13 178.86 2rq9 h THR 56 N 0.00 0.00 0.00 6.31 1.35 -1.87 -3.48 112.91 115.22 2rq9 h THR 56 Ca 0.00 -0.11 0.00 0.00 -0.55 0.00 0.00 66.41 65.75 2rq9 h THR 56 Cb 0.00 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.42 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 -1.09 0.99 3.51 5.82 0.00 -1.22 -5.08 105.19 108.12 2rq9 n GLY 57 Ca -0.12 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.65 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 0.02 1.75 -0.09 1.61 -0.21 -1.26 -4.89 119.66 116.60 2rq9 s GLN 58 Ca 0.00 -1.86 -0.01 0.00 0.02 0.00 0.00 55.36 53.51 2rq9 s GLN 58 Cb 0.00 -1.71 -0.03 0.00 1.00 0.00 0.00 33.01 32.27 2rq9 s GLN 58 CO 0.00 0.22 -0.03 0.71 -2.12 0.00 0.00 175.29 174.07 2rq9 s TYR 59 N -2.58 3.07 -0.30 0.91 2.02 -1.07 0.37 117.35 119.77 2rq9 s TYR 59 Ca 0.31 0.09 -0.29 0.00 -0.37 0.00 0.00 57.07 56.82 2rq9 s TYR 59 Cb -0.01 -1.78 0.01 0.00 -0.40 0.00 0.00 41.96 39.78 2rq9 s TYR 59 CO 0.16 0.38 1.21 -1.17 -1.57 0.00 0.00 175.55 174.56 2rq9 s LEU 60 N -0.74 3.92 0.07 -1.29 2.96 -0.20 -0.55 118.68 122.85 2rq9 s LEU 60 Ca 0.11 1.18 0.02 0.00 -0.22 0.00 0.00 54.13 55.23 2rq9 s LEU 60 Cb -0.11 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 43.00 2rq9 s LEU 60 CO 0.02 -0.98 -0.07 0.00 -1.32 0.00 0.00 176.35 174.00 2rq9 s ALA 61 N 4.03 0.77 -0.13 5.97 0.00 -0.16 -4.29 121.76 127.95 2rq9 s ALA 61 Ca 0.52 -1.05 -0.06 0.00 0.00 0.00 0.00 51.96 51.38 2rq9 s ALA 61 Cb -0.15 0.10 -0.04 0.00 0.00 0.00 0.00 23.12 23.03 2rq9 s ALA 61 CO 0.20 -0.12 0.07 1.41 0.00 0.00 0.00 175.76 177.31 2rq9 s MET 62 N -2.67 3.49 0.62 0.00 1.75 -1.25 -0.23 119.30 121.01 2rq9 s MET 62 Ca 0.01 -0.30 0.00 0.00 -1.25 0.00 0.00 55.69 54.15 2rq9 s MET 62 Cb -0.03 -3.07 0.07 0.00 2.84 0.00 0.00 34.83 34.64 2rq9 s MET 62 CO -0.02 0.57 0.87 0.16 -0.65 0.00 0.00 175.02 175.95 2rq9 s ASP 63 N -0.47 4.89 0.57 1.11 1.47 0.47 -4.96 116.67 119.75 2rq9 s ASP 63 Ca 0.10 -0.15 0.34 0.00 1.18 0.00 0.00 52.55 54.02 2rq9 s ASP 63 Cb -0.12 -0.51 1.69 0.00 -0.34 0.00 0.00 42.92 43.64 2rq9 s ASP 63 CO 0.02 -1.45 2.13 0.71 0.68 0.00 0.00 175.17 177.26 2rq9 h THR 64 N -0.19 0.26 0.00 2.11 1.35 -1.99 0.33 112.91 114.78 2rq9 h THR 64 Ca -0.40 -0.39 0.00 0.00 -0.55 0.00 0.00 66.41 65.08 2rq9 h THR 64 Cb 1.29 1.30 0.00 0.00 -1.73 0.00 0.00 68.15 69.01 2rq9 h THR 64 CO 0.48 0.05 0.00 -0.67 -0.25 0.00 0.00 175.52 175.13 2rq9 n ASP 65 N -3.34 0.00 0.00 5.36 2.03 -1.26 -4.83 116.55 114.51 2rq9 n ASP 65 Ca -0.01 -0.26 0.00 0.00 0.52 0.00 0.00 54.79 55.03 2rq9 n ASP 65 Cb 0.21 -0.19 0.00 0.00 -0.72 0.00 0.00 41.12 40.42 2rq9 n ASP 65 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2rq9 n GLY 66 N 0.56 0.71 3.96 0.27 0.00 0.10 -4.66 105.19 106.14 2rq9 n GLY 66 Ca 0.13 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 3.31 -0.09 0.99 1.02 -1.25 0.37 118.68 123.02 2rq9 s LEU 67 Ca 0.00 0.18 -0.01 0.00 0.02 0.00 0.00 54.13 54.32 2rq9 s LEU 67 Cb 0.00 -3.03 -0.03 0.00 0.02 0.00 0.00 46.19 43.15 2rq9 s LEU 67 CO 0.00 -1.07 -0.02 -0.76 0.02 0.00 0.00 176.35 174.52 2rq9 s LEU 68 N -4.79 3.44 0.11 1.79 1.43 -1.26 -0.39 118.68 119.01 2rq9 s LEU 68 Ca 0.55 0.07 -0.10 0.00 -1.03 0.00 0.00 54.13 53.62 2rq9 s LEU 68 Cb -0.10 -1.78 0.00 0.00 0.03 0.00 0.00 46.19 44.34 2rq9 s LEU 68 CO 0.40 0.35 0.25 -0.72 0.23 0.00 0.00 176.35 176.85 2rq9 s TYR 69 N -0.69 0.13 -0.17 0.29 -0.85 0.68 -4.23 117.35 112.50 2rq9 s TYR 69 Ca 0.11 -0.53 -0.19 0.00 -0.52 0.00 0.00 57.07 55.94 2rq9 s TYR 69 Cb -0.12 0.00 -0.03 0.00 0.38 0.00 0.00 41.96 42.19 2rq9 s TYR 69 CO 0.02 -0.61 0.54 0.20 -1.52 0.00 0.00 175.55 174.18 2rq9 s GLY 70 N -2.87 2.17 0.02 5.49 0.00 -1.26 -0.99 107.32 109.88 2rq9 s GLY 70 Ca 0.07 -0.30 -0.17 0.00 0.00 0.00 0.00 44.72 44.32 2rq9 s GLY 70 CO -0.09 1.06 0.47 -0.45 0.00 0.00 0.00 173.10 174.08 2rq9 s SER 71 N 1.02 6.90 0.29 1.64 0.15 0.29 -4.82 113.70 119.17 2rq9 s SER 71 Ca 0.26 1.07 -0.01 0.00 0.70 0.00 0.00 55.95 57.97 2rq9 s SER 71 Cb -0.16 -2.29 0.42 0.00 -1.71 0.00 0.00 66.02 62.28 2rq9 s SER 71 CO 0.10 0.30 1.87 -0.61 1.20 0.00 0.00 173.24 176.10 2rq9 h GLN 72 N 4.71 0.89 -5.75 5.44 4.15 -1.93 -2.83 115.11 119.79 2rq9 h GLN 72 Ca -0.51 -0.14 -0.50 0.00 0.77 0.00 0.00 58.65 58.27 2rq9 h GLN 72 Cb 1.22 -0.15 -0.14 0.00 0.21 0.00 0.00 27.48 28.61 2rq9 h GLN 72 CO 0.63 0.73 -0.74 0.95 -1.93 0.00 0.00 178.83 178.47 2rq9 s THR 73 N -5.40 1.95 -0.54 2.39 -4.23 -1.26 -4.89 115.64 103.66 2rq9 s THR 73 Ca -0.10 -2.26 -0.28 0.00 -1.18 0.00 0.00 61.69 57.87 2rq9 s THR 73 Cb 0.16 -2.15 0.01 0.00 1.34 0.00 0.00 72.50 71.86 2rq9 s THR 73 CO 0.80 -0.52 1.48 -2.16 -0.54 0.00 0.00 174.62 173.68 2rq9 s PRO 74 N -3.61 3.25 0.23 3.99 0.04 -1.26 -4.82 135.00 132.81 2rq9 s PRO 74 Ca 0.25 0.56 0.10 0.00 0.04 0.00 0.00 61.00 61.95 2rq9 s PRO 74 Cb -0.02 -4.15 -0.04 0.00 0.04 0.00 0.00 34.50 30.33 2rq9 s PRO 74 CO 0.10 -1.99 -0.09 1.21 0.04 0.00 0.00 177.00 176.26 2rq9 s ASN 75 N 4.88 4.19 0.50 6.66 2.47 -1.26 -5.00 114.94 127.38 2rq9 s ASN 75 Ca 0.56 -0.69 0.32 0.00 0.42 0.00 0.00 52.86 53.47 2rq9 s ASN 75 Cb -0.12 -0.67 1.44 0.00 -1.45 0.00 0.00 41.25 40.45 2rq9 s ASN 75 CO 0.25 0.06 1.77 -0.33 -3.72 0.00 0.00 177.10 175.14 2rq9 h GLU 76 N 2.48 0.11 -0.04 0.43 3.07 -1.93 1.50 114.58 120.19 2rq9 h GLU 76 Ca -0.45 -0.01 0.01 0.00 -0.50 0.00 0.00 59.36 58.42 2rq9 h GLU 76 Cb 1.23 -0.02 -0.00 0.00 -0.84 0.00 0.00 28.75 29.11 2rq9 h GLU 76 CO 0.57 0.07 0.04 0.93 -1.40 0.00 0.00 179.01 179.22 2rq9 h GLU 77 N 0.11 0.00 0.00 2.33 5.08 -1.95 0.65 114.58 120.80 2rq9 h GLU 77 Ca 0.61 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.97 2rq9 h GLU 77 Cb 2.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.41 2rq9 h GLU 77 CO -0.11 0.00 -0.02 0.00 -1.00 0.00 0.00 179.01 177.88 2rq9 s LEU 79 N -5.04 4.10 0.35 0.00 2.96 0.23 -4.16 118.68 117.11 2rq9 s LEU 79 Ca 0.09 1.03 0.09 0.00 -0.22 0.00 0.00 54.13 55.13 2rq9 s LEU 79 Cb 0.10 -3.16 -0.06 0.00 0.50 0.00 0.00 46.19 43.57 2rq9 s LEU 79 CO 0.62 -0.47 -0.05 -0.36 -1.32 0.00 0.00 176.35 174.77 2rq9 s PHE 80 N 2.65 2.47 -0.26 5.38 0.40 -0.88 -2.40 117.98 125.33 2rq9 s PHE 80 Ca 0.35 -0.49 -0.09 0.00 -0.60 0.00 0.00 56.93 56.10 2rq9 s PHE 80 Cb -0.16 -1.45 -0.04 0.00 0.51 0.00 0.00 43.02 41.89 2rq9 s PHE 80 CO 0.08 0.53 0.12 -0.51 0.70 0.00 0.00 175.22 176.14 2rq9 s LEU 81 N -3.66 3.68 0.03 -0.37 1.43 0.42 -1.10 118.68 119.11 2rq9 s LEU 81 Ca 0.34 -0.11 0.03 0.00 -1.03 0.00 0.00 54.13 53.35 2rq9 s LEU 81 Cb 0.02 -2.00 -0.04 0.00 0.03 0.00 0.00 46.19 44.20 2rq9 s LEU 81 CO 0.18 -0.03 -0.03 -0.70 0.23 0.00 0.00 176.35 176.00 2rq9 s GLU 82 N 1.60 2.62 0.08 1.70 -6.30 0.11 -1.62 118.70 116.89 2rq9 s GLU 82 Ca 0.06 -0.72 -0.22 0.00 -2.50 0.00 0.00 54.97 51.59 2rq9 s GLU 82 Cb -0.15 -2.57 0.06 0.00 0.00 0.00 0.00 34.13 31.46 2rq9 s GLU 82 CO 0.06 0.59 0.53 1.03 0.02 0.00 0.00 175.26 177.50 2rq9 s ARG 83 N -1.71 1.10 -0.26 4.30 1.81 -1.16 -4.62 118.95 118.41 2rq9 s ARG 83 Ca 0.20 -0.32 -0.18 0.00 -1.72 0.00 0.00 55.73 53.72 2rq9 s ARG 83 Cb -0.11 0.50 -0.03 0.00 -0.45 0.00 0.00 34.95 34.86 2rq9 s ARG 83 CO 0.11 -0.42 0.50 -1.17 -0.68 0.00 0.00 175.30 173.64 2rq9 s LEU 84 N -2.21 4.05 0.18 2.53 0.20 -1.26 -2.54 118.68 119.64 2rq9 s LEU 84 Ca -0.03 0.50 0.06 0.00 0.69 0.00 0.00 54.13 55.35 2rq9 s LEU 84 Cb -0.00 -2.64 -0.04 0.00 -0.43 0.00 0.00 46.19 43.08 2rq9 s LEU 84 CO -0.05 -0.27 0.14 -1.83 -0.29 0.00 0.00 176.35 174.05 2rq9 s GLU 85 N 2.27 2.86 -0.64 1.98 4.04 -0.93 -5.02 118.70 123.27 2rq9 s GLU 85 Ca 0.21 -0.93 -0.26 0.00 0.04 0.00 0.00 54.97 54.02 2rq9 s GLU 85 Cb -0.16 -2.60 -0.05 0.00 0.02 0.00 0.00 34.13 31.34 2rq9 s GLU 85 CO 0.09 0.46 2.11 -1.21 -1.84 0.00 0.00 175.26 174.87 2rq9 s GLU 86 N -3.26 2.33 0.00 -4.83 2.02 -1.26 -3.76 118.70 109.94 2rq9 s GLU 86 Ca 0.31 0.72 0.00 0.00 0.02 0.00 0.00 54.97 56.02 2rq9 s GLU 86 Cb -0.09 -4.59 0.00 0.00 0.10 0.00 0.00 34.13 29.54 2rq9 s GLU 86 CO 0.23 -3.20 0.00 0.09 0.02 0.00 0.00 175.26 172.41 2rq9 n ASN 87 N 14.61 0.00 -3.36 -0.19 4.13 -1.26 -4.91 115.26 124.28 2rq9 n ASN 87 Ca 0.31 0.00 -0.18 0.00 1.68 0.00 0.00 54.58 56.39 2rq9 n ASN 87 Cb 0.51 0.00 -0.05 0.00 -1.54 0.00 0.00 39.78 38.70 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 -0.65 -3.98 3.10 -0.00 -1.25 -4.82 115.22 107.62 2rq9 n HIS 88 Ca 0.00 0.34 -0.09 0.00 0.46 0.00 0.00 57.72 58.43 2rq9 n HIS 88 Cb 0.00 -1.33 -0.08 0.00 -0.12 0.00 0.00 29.99 28.46 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 -3.26 0.44 0.23 1.57 2.02 -1.25 -4.90 117.35 112.19 2rq9 s TYR 89 Ca 0.14 -0.84 0.10 0.00 -0.37 0.00 0.00 57.07 56.10 2rq9 s TYR 89 Cb -0.08 -0.17 -0.05 0.00 -0.40 0.00 0.00 41.96 41.26 2rq9 s TYR 89 CO 0.53 -0.60 -0.18 -0.80 -1.57 0.00 0.00 175.55 172.93 2rq9 s ASN 90 N -2.95 3.04 0.14 2.29 -0.87 0.22 -2.18 114.94 114.64 2rq9 s ASN 90 Ca 0.14 -1.00 0.05 0.00 -1.57 0.00 0.00 52.86 50.49 2rq9 s ASN 90 Cb 0.05 -0.21 -0.04 0.00 -0.02 0.00 0.00 41.25 41.03 2rq9 s ASN 90 CO -0.03 -0.06 -0.12 0.42 -2.57 0.00 0.00 177.10 174.74 2rq9 s THR 91 N -2.63 1.27 -0.02 1.60 -4.23 -1.05 0.24 115.64 110.83 2rq9 s THR 91 Ca 0.25 -1.96 0.01 0.00 -1.18 0.00 0.00 61.69 58.81 2rq9 s THR 91 Cb -0.03 -1.75 0.01 0.00 1.34 0.00 0.00 72.50 72.07 2rq9 s THR 91 CO 0.10 -0.62 -0.02 -0.31 -0.54 0.00 0.00 174.62 173.23 2rq9 s TYR 92 N -2.89 0.40 0.06 3.99 2.02 -1.26 -2.98 117.35 116.69 2rq9 s TYR 92 Ca 0.14 -0.06 0.02 0.00 -0.37 0.00 0.00 57.07 56.81 2rq9 s TYR 92 Cb -0.00 -0.38 -0.03 0.00 -0.40 0.00 0.00 41.96 41.15 2rq9 s TYR 92 CO 0.02 -0.09 -0.08 0.42 -1.57 0.00 0.00 175.55 174.25 2rq9 s ILE 93 N 0.56 0.59 0.27 2.71 1.01 -0.64 -3.04 121.20 122.66 2rq9 s ILE 93 Ca -0.06 -1.29 -0.29 0.00 0.00 0.00 0.00 60.65 59.01 2rq9 s ILE 93 Cb -0.09 -0.88 -0.09 0.00 0.01 0.00 0.00 42.46 41.41 2rq9 s ILE 93 CO -0.01 -0.49 1.15 -0.55 0.00 0.00 0.00 174.94 175.03 2rq9 s SER 94 N -1.93 7.17 -0.02 3.58 0.15 -1.25 0.16 113.70 121.55 2rq9 s SER 94 Ca -0.05 2.32 -0.20 0.00 0.70 0.00 0.00 55.95 58.72 2rq9 s SER 94 Cb -0.06 -2.63 -0.12 0.00 -1.71 0.00 0.00 66.02 61.50 2rq9 s SER 94 CO -0.01 -0.24 0.85 0.50 1.20 0.00 0.00 173.24 175.54 2rq9 h LYS 95 N 4.04 -0.53 -0.20 5.44 3.64 -1.73 0.33 116.57 127.56 2rq9 h LYS 95 Ca -0.47 0.04 0.06 0.00 -1.27 0.00 0.00 60.65 59.01 2rq9 h LYS 95 Cb 1.21 0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 33.15 2rq9 h LYS 95 CO 0.68 -0.26 0.22 0.87 -2.27 0.00 0.00 179.45 178.69 2rq9 h LYS 96 N -1.06 0.00 -1.50 1.90 1.57 -1.82 -1.18 116.57 114.48 2rq9 h LYS 96 Ca -0.06 0.00 -0.55 0.00 -1.87 0.00 0.00 60.65 58.17 2rq9 h LYS 96 Cb 0.51 0.00 -0.42 0.00 0.08 0.00 0.00 32.23 32.41 2rq9 h LYS 96 CO 0.09 0.00 -0.81 0.72 -0.57 0.00 0.00 179.45 178.88 2rq9 n HIS 97 N -3.77 3.03 0.09 -1.35 8.25 -1.14 -4.77 115.22 115.55 2rq9 n HIS 97 Ca 0.02 -3.14 -0.21 0.00 -0.26 0.00 0.00 57.72 54.13 2rq9 n HIS 97 Cb 0.35 -0.17 -0.15 0.00 1.12 0.00 0.00 29.99 31.14 2rq9 n HIS 97 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2rq9 h ALA 98 N 2.69 0.12 0.00 -1.41 0.00 0.96 -3.27 119.26 118.36 2rq9 h ALA 98 Ca 0.22 -1.06 0.00 0.00 0.00 0.00 0.00 54.91 54.07 2rq9 h ALA 98 Cb 0.93 0.32 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2rq9 h ALA 98 CO 0.78 0.99 0.00 0.93 0.00 0.00 0.00 179.25 181.95 2rq9 h GLU 99 N 0.10 0.00 0.00 0.00 5.08 -1.84 -2.36 114.58 115.57 2rq9 h GLU 99 Ca -0.28 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.08 2rq9 h GLU 99 Cb 2.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.33 2rq9 h GLU 99 CO 0.20 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 179.84 2rq9 n LYS 100 N -2.63 0.28 -3.64 2.33 5.02 -1.23 -4.92 118.16 113.37 2rq9 n LYS 100 Ca 0.03 0.03 -0.26 0.00 -2.02 0.00 0.00 58.31 56.09 2rq9 n LYS 100 Cb 0.36 -1.50 0.02 0.00 -0.02 0.00 0.00 35.03 33.89 2rq9 n LYS 100 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2rq9 n ASN 101 N -1.35 -5.55 -4.43 4.39 3.02 -0.89 -4.84 115.26 105.61 2rq9 n ASN 101 Ca 0.11 -0.87 -0.33 0.00 -0.03 0.00 0.00 54.58 53.46 2rq9 n ASN 101 Cb 0.25 -3.16 -0.13 0.00 -0.61 0.00 0.00 39.78 36.13 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 -3.28 2.87 0.09 3.10 0.51 -1.25 -4.73 118.94 116.25 2rq9 s TRP 102 Ca 0.29 -0.45 0.07 0.00 -2.12 0.00 0.00 56.10 53.90 2rq9 s TRP 102 Cb -0.11 -1.84 -0.04 0.00 -0.81 0.00 0.00 33.47 30.67 2rq9 s TRP 102 CO 0.86 -0.08 -0.14 -0.06 -0.51 0.00 0.00 176.95 177.02 2rq9 s PHE 103 N 0.15 2.65 0.00 -1.98 0.08 -1.22 -3.89 117.98 113.76 2rq9 s PHE 103 Ca -0.05 -0.20 0.00 0.00 0.12 0.00 0.00 56.93 56.80 2rq9 s PHE 103 Cb -0.15 -1.42 0.00 0.00 -0.57 0.00 0.00 43.02 40.89 2rq9 s PHE 103 CO 0.04 0.38 0.36 0.28 -0.10 0.00 0.00 175.22 176.18 2rq9 n VAL 104 N 0.94 0.00 -1.15 -0.44 0.31 -1.17 -4.20 118.33 112.61 2rq9 n VAL 104 Ca -0.15 0.70 0.12 0.00 -0.01 0.00 0.00 64.34 65.00 2rq9 n VAL 104 Cb 0.52 -1.38 -0.05 0.00 -0.91 0.00 0.00 33.84 32.02 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 0.48 -1.96 2.84 2.92 0.00 -1.26 -3.53 105.19 104.67 2rq9 n GLY 105 Ca 0.00 -0.71 -0.14 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 -6.12 1.56 0.55 0.99 1.43 -1.26 -2.87 118.68 112.96 2rq9 s LEU 106 Ca 0.00 0.00 -0.20 0.00 -1.03 0.00 0.00 54.13 52.90 2rq9 s LEU 106 Cb 0.00 -0.08 -0.05 0.00 0.03 0.00 0.00 46.19 46.09 2rq9 s LEU 106 CO 0.00 -0.05 1.18 -0.75 0.23 0.00 0.00 176.35 176.95 2rq9 s LYS 107 N 0.51 3.27 0.00 1.70 2.20 1.00 -4.69 119.74 123.73 2rq9 s LYS 107 Ca -0.04 1.75 0.08 0.00 -0.36 0.00 0.00 55.97 57.39 2rq9 s LYS 107 Cb -0.07 -2.05 0.35 0.00 -1.51 0.00 0.00 37.83 34.55 2rq9 s LYS 107 CO -0.01 -0.95 1.25 1.17 -0.36 0.00 0.00 175.35 176.45 2rq9 n LYS 108 N -1.26 0.01 0.00 4.03 4.81 -1.26 -0.33 118.16 124.15 2rq9 n LYS 108 Ca 0.12 0.35 0.14 0.00 -0.87 0.00 0.00 58.31 58.05 2rq9 n LYS 108 Cb 0.50 -1.50 0.65 0.00 0.02 0.00 0.00 35.03 34.69 2rq9 n LYS 108 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 2rq9 n ASN 109 N -1.49 0.59 -0.32 3.14 5.15 -1.26 -4.89 115.26 116.18 2rq9 n ASN 109 Ca 0.02 -0.83 0.00 0.00 -0.60 0.00 0.00 54.58 53.17 2rq9 n ASN 109 Cb 0.09 -0.04 0.00 0.00 -0.53 0.00 0.00 39.78 39.30 2rq9 n ASN 109 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2rq9 n GLY 110 N 1.21 0.96 3.26 8.20 0.00 0.55 -4.96 105.19 114.42 2rq9 n GLY 110 Ca 0.17 -0.50 -0.14 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.71 0.93 0.09 1.61 0.01 -1.16 -0.57 113.70 111.91 2rq9 s SER 111 Ca 0.00 -1.31 -0.27 0.00 1.31 0.00 0.00 55.95 55.68 2rq9 s SER 111 Cb 0.00 0.20 -0.06 0.00 0.21 0.00 0.00 66.02 66.37 2rq9 s SER 111 CO 0.00 -0.71 0.83 0.00 0.41 0.00 0.00 173.24 173.78 2rq9 s LYS 113 N -0.26 4.24 0.64 0.00 2.20 -1.14 -4.67 119.74 120.74 2rq9 s LYS 113 Ca 0.41 0.59 -0.18 0.00 -0.36 0.00 0.00 55.97 56.43 2rq9 s LYS 113 Cb -0.22 -3.55 -0.15 0.00 -1.51 0.00 0.00 37.83 32.40 2rq9 s LYS 113 CO 0.26 -0.17 -0.28 0.54 -0.36 0.00 0.00 175.35 175.34 2rq9 n ARG 114 N 4.79 0.01 0.09 4.03 3.00 -1.25 -4.70 116.66 122.63 2rq9 n ARG 114 Ca -0.02 0.01 -0.10 0.00 -0.01 0.00 0.00 57.85 57.72 2rq9 n ARG 114 Cb 0.50 -1.03 -0.07 0.00 0.00 0.00 0.00 32.46 31.86 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 -0.28 -0.31 -2.81 -0.13 0.00 -0.26 -3.23 103.07 96.06 2rq9 h GLY 115 Ca -0.42 0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.03 2rq9 h GLY 115 CO 0.37 -0.11 0.00 -1.55 0.00 0.00 0.00 176.54 175.25 2rq9 n PRO 116 N -4.98 0.75 -0.40 4.80 -0.04 -1.26 -2.34 135.00 131.53 2rq9 n PRO 116 Ca -0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.38 2rq9 n PRO 116 Cb 0.25 -1.12 0.00 0.00 -0.04 0.00 0.00 33.50 32.59 2rq9 n PRO 116 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2rq9 n ARG 117 N 1.27 0.00 -4.48 0.54 5.12 -1.22 -5.10 116.66 112.79 2rq9 n ARG 117 Ca 0.00 -0.78 -0.26 0.00 -1.93 0.00 0.00 57.85 54.87 2rq9 n ARG 117 Cb 0.38 -0.43 -0.10 0.00 -1.16 0.00 0.00 32.46 31.14 2rq9 n ARG 117 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 2rq9 s THR 118 N 0.00 2.26 0.05 0.55 -4.23 -0.99 -4.90 115.64 108.38 2rq9 s THR 118 Ca 0.00 -2.04 -0.28 0.00 -1.18 0.00 0.00 61.69 58.19 2rq9 s THR 118 Cb 0.00 -2.82 0.09 0.00 1.34 0.00 0.00 72.50 71.11 2rq9 s THR 118 CO 0.00 -0.12 1.04 -1.00 -0.54 0.00 0.00 174.62 174.00 2rq9 s HIS 119 N -2.62 -0.16 0.15 3.99 3.76 -1.26 -4.89 115.29 114.26 2rq9 s HIS 119 Ca 0.35 -0.04 -0.30 0.00 -0.15 0.00 0.00 55.06 54.92 2rq9 s HIS 119 Cb 0.04 0.58 -0.07 0.00 1.11 0.00 0.00 32.58 34.24 2rq9 s HIS 119 CO 0.18 -0.58 1.20 -0.47 -0.85 0.00 0.00 174.74 174.22 2rq9 s TYR 120 N -2.98 3.43 0.00 1.40 5.04 -1.26 -3.32 117.35 119.67 2rq9 s TYR 120 Ca 0.11 1.38 0.00 0.00 -2.44 0.00 0.00 57.07 56.12 2rq9 s TYR 120 Cb 0.00 -3.43 0.00 0.00 0.35 0.00 0.00 41.96 38.88 2rq9 s TYR 120 CO -0.02 -1.24 0.00 0.41 -1.34 0.00 0.00 175.55 173.36 2rq9 n GLY 121 N 2.49 1.30 3.80 8.97 0.00 -1.26 -5.10 105.19 115.40 2rq9 n GLY 121 Ca 0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.03 3.98 -0.24 1.61 -0.21 -1.21 -4.93 119.66 118.62 2rq9 s GLN 122 Ca 0.00 1.33 0.05 0.00 0.02 0.00 0.00 55.36 56.75 2rq9 s GLN 122 Cb 0.00 -2.20 0.47 0.00 1.00 0.00 0.00 33.01 32.28 2rq9 s GLN 122 CO 0.00 -0.27 1.50 1.17 -2.12 0.00 0.00 175.29 175.57 2rq9 n LYS 123 N -0.71 2.43 -0.13 2.91 4.81 -1.26 -3.99 118.16 122.22 2rq9 n LYS 123 Ca 0.08 -2.00 -0.26 0.00 -0.87 0.00 0.00 58.31 55.26 2rq9 n LYS 123 Cb 0.52 -1.85 -0.10 0.00 0.02 0.00 0.00 35.03 33.62 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 -0.23 1.32 -0.20 3.14 0.00 -1.26 -1.18 120.51 122.10 2rq9 n ALA 124 Ca 0.32 -1.06 0.04 0.00 0.00 0.00 0.00 53.44 52.73 2rq9 n ALA 124 Cb 1.13 0.10 0.30 0.00 0.00 0.00 0.00 19.45 20.98 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 -0.73 1.10 -2.20 0.00 3.07 -1.90 -3.37 117.51 113.48 2rq9 h ILE 125 Ca -0.65 -0.30 -0.59 0.00 1.55 0.00 0.00 64.86 64.86 2rq9 h ILE 125 Cb 1.66 0.14 0.05 0.00 -0.27 0.00 0.00 36.82 38.40 2rq9 h ILE 125 CO -0.34 0.16 0.87 0.18 -1.05 0.00 0.00 178.15 177.97 2rq9 n LEU 126 N -4.46 3.15 -3.97 0.16 4.77 -1.26 -4.45 117.00 110.94 2rq9 n LEU 126 Ca 0.09 1.06 -0.12 0.00 -0.03 0.00 0.00 56.01 57.01 2rq9 n LEU 126 Cb 0.13 -1.41 -0.12 0.00 -2.33 0.00 0.00 43.42 39.69 2rq9 n LEU 126 CO 0.35 -0.25 -0.38 -0.36 -1.33 0.00 0.00 177.39 175.42 2rq9 s PHE 127 N 1.70 0.34 -0.15 -1.77 0.08 0.14 -3.99 117.98 114.34 2rq9 s PHE 127 Ca 0.82 -0.34 -0.02 0.00 0.12 0.00 0.00 56.93 57.52 2rq9 s PHE 127 Cb -0.69 -0.22 0.04 0.00 -0.57 0.00 0.00 43.02 41.58 2rq9 s PHE 127 CO 0.42 -0.09 -0.00 -1.17 -0.10 0.00 0.00 175.22 174.27 2rq9 s LEU 128 N -0.97 1.14 -0.43 -0.37 2.96 -1.00 0.73 118.68 120.74 2rq9 s LEU 128 Ca -0.08 -0.54 -0.29 0.00 -0.22 0.00 0.00 54.13 53.00 2rq9 s LEU 128 Cb -0.07 -0.65 0.01 0.00 0.50 0.00 0.00 46.19 45.98 2rq9 s LEU 128 CO -0.00 -0.23 1.42 -2.16 -1.32 0.00 0.00 176.35 174.06 2rq9 s PRO 129 N 1.82 3.53 -0.07 0.98 0.04 -1.25 -1.98 135.00 138.07 2rq9 s PRO 129 Ca 0.01 0.89 -0.18 0.00 0.04 0.00 0.00 61.00 61.76 2rq9 s PRO 129 Cb -0.15 -4.04 -0.05 0.00 0.04 0.00 0.00 34.50 30.30 2rq9 s PRO 129 CO -0.07 -1.62 0.49 -0.51 0.04 0.00 0.00 177.00 175.33 2rq9 s LEU 130 N 5.55 4.34 -0.56 -3.56 2.01 -0.19 -4.83 118.68 121.44 2rq9 s LEU 130 Ca 0.61 0.92 -0.28 0.00 0.01 0.00 0.00 54.13 55.39 2rq9 s LEU 130 Cb -0.13 -2.73 0.01 0.00 0.01 0.00 0.00 46.19 43.34 2rq9 s LEU 130 CO 0.32 0.08 1.50 -2.16 1.01 0.00 0.00 176.35 177.09 2rq9 s PRO 131 N 0.15 3.20 0.00 1.29 0.04 -1.26 -1.97 135.00 136.46 2rq9 s PRO 131 Ca 0.27 0.51 0.29 0.00 0.04 0.00 0.00 61.00 62.10 2rq9 s PRO 131 Cb -0.16 -4.17 1.28 0.00 0.04 0.00 0.00 34.50 31.49 2rq9 s PRO 131 CO 0.12 -2.05 1.91 1.55 0.04 0.00 0.00 177.00 178.57 2rq9 n VAL 132 N 6.92 0.00 -3.53 -0.36 3.14 -1.26 -4.83 118.33 118.41 2rq9 n VAL 132 Ca 0.14 -0.01 -0.18 0.00 -2.96 0.00 0.00 64.34 61.33 2rq9 n VAL 132 Cb 0.49 -0.33 -0.06 0.00 -1.06 0.00 0.00 33.84 32.88 2rq9 n VAL 132 CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 2rq9 s SER 133 N -2.71 -0.65 0.61 6.55 0.15 -1.26 -5.13 113.70 111.27 2rq9 s SER 133 Ca 0.23 0.73 0.00 0.00 0.70 0.00 0.00 55.95 57.61 2rq9 s SER 133 Cb 0.20 0.56 0.00 0.00 -1.71 0.00 0.00 66.02 65.06 2rq9 s SER 133 CO 0.51 -0.59 0.00 -1.54 1.20 0.00 0.00 173.24 172.82 2rq9 n SER 134 N 0.96 -7.49 0.00 5.45 3.41 -1.26 -4.91 113.62 109.78 2rq9 n SER 134 Ca -0.18 0.90 0.00 0.00 -0.26 0.00 0.00 58.87 59.32 2rq9 n SER 134 Cb 0.57 -2.53 0.00 0.00 -0.26 0.00 0.00 64.21 61.99 2rq9 n SER 134 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2rq9 n ASP 135 N -3.75 0.00 -1.97 4.04 9.92 -1.26 -4.93 116.55 118.61 2rq9 n ASP 135 Ca 0.01 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.27 2rq9 n ASP 135 Cb 0.38 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.86 2rq9 n ASP 135 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2rq9 n LEU 136 N 0.00 0.00 -3.91 0.64 -0.00 -1.26 -5.10 117.00 107.37 2rq9 n LEU 136 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 56.01 55.90 2rq9 n LEU 136 Cb 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 43.42 43.29 2rq9 n LEU 136 CO 0.00 -0.47 -0.36 -1.61 -0.00 0.00 0.00 177.39 174.94 2rq9 s GLU 137 N -2.23 0.13 -0.19 1.47 2.02 -1.26 -4.80 118.70 113.83 2rq9 s GLU 137 Ca 0.00 -0.21 -0.04 0.00 0.02 0.00 0.00 54.97 54.74 2rq9 s GLU 137 Cb 0.00 -0.00 -0.02 0.00 0.10 0.00 0.00 34.13 34.21 2rq9 s GLU 137 CO 0.00 -0.01 -0.02 -1.58 0.02 0.00 0.00 175.26 173.68 2rq9 s HIS 138 N -0.46 3.01 -0.16 1.61 2.46 -1.26 -5.09 115.29 115.40 2rq9 s HIS 138 Ca -0.05 -0.52 -0.17 0.00 0.47 0.00 0.00 55.06 54.79 2rq9 s HIS 138 Cb -0.03 -2.06 -0.04 0.00 -0.13 0.00 0.00 32.58 30.32 2rq9 s HIS 138 CO -0.00 -0.26 0.42 -1.58 -2.47 0.00 0.00 174.74 170.85 2rq9 s HIS 139 N 0.97 3.44 0.11 3.88 2.46 -1.26 -5.03 115.29 119.85 2rq9 s HIS 139 Ca 0.01 0.74 0.05 0.00 0.47 0.00 0.00 55.06 56.32 2rq9 s HIS 139 Cb -0.14 -2.52 -0.04 0.00 -0.13 0.00 0.00 32.58 29.75 2rq9 s HIS 139 CO 0.01 0.09 -0.12 -1.58 -2.47 0.00 0.00 174.74 170.68 2rq9 s HIS 140 N 0.94 1.19 0.06 3.88 5.04 -1.26 -5.16 115.29 119.99 2rq9 s HIS 140 Ca 0.22 -0.61 -0.23 0.00 -1.54 0.00 0.00 55.06 52.90 2rq9 s HIS 140 Cb -0.15 -0.64 0.06 0.00 0.04 0.00 0.00 32.58 31.89 2rq9 s HIS 140 CO 0.08 0.06 0.54 -3.38 -2.34 0.00 0.00 174.74 169.70 2rq9 s HIS 141 N -2.29 -0.45 0.31 3.88 -3.43 -1.26 -5.18 115.29 106.87 2rq9 s HIS 141 Ca 0.06 0.47 0.10 0.00 -0.80 0.00 0.00 55.06 54.90 2rq9 s HIS 141 Cb -0.04 0.38 -0.05 0.00 -1.43 0.00 0.00 32.58 31.44 2rq9 s HIS 141 CO 0.01 -0.68 -0.09 -1.58 -2.00 0.00 0.00 174.74 170.40 2rq9 s HIS 142 N -2.62 2.45 0.00 0.38 5.04 -1.26 -5.36 115.29 113.91 2rq9 s HIS 142 Ca -0.04 -0.37 0.00 0.00 -1.54 0.00 0.00 55.06 53.10 2rq9 s HIS 142 Cb -0.00 -1.23 0.00 0.00 0.04 0.00 0.00 32.58 31.39 2rq9 s HIS 142 CO -0.03 0.62 0.00 1.58 -2.34 0.00 0.00 174.74 174.57