#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 -0.66 -0.38 7.83 4.22 -1.26 -5.13 114.94 119.56 2rq9 s ASN 2 Ca 0.00 0.85 0.02 0.00 -2.14 0.00 0.00 52.86 51.59 2rq9 s ASN 2 Cb 0.00 0.72 0.18 0.00 1.28 0.00 0.00 41.25 43.43 2rq9 s ASN 2 CO 0.00 -0.53 0.77 -0.47 -2.04 0.00 0.00 177.10 174.83 2rq9 s TYR 3 N -0.87 -1.27 0.15 1.54 6.14 -1.26 -5.16 117.35 116.62 2rq9 s TYR 3 Ca -0.09 0.18 -0.25 0.00 0.64 0.00 0.00 57.07 57.56 2rq9 s TYR 3 Cb -0.01 0.23 0.07 0.00 0.42 0.00 0.00 41.96 42.67 2rq9 s TYR 3 CO 0.08 -0.86 0.99 0.21 0.64 0.00 0.00 175.55 176.61 2rq9 s LYS 4 N 1.88 1.17 -0.41 4.97 2.47 -1.26 -5.11 119.74 123.45 2rq9 s LYS 4 Ca 0.16 -0.67 0.05 0.00 -1.56 0.00 0.00 55.97 53.95 2rq9 s LYS 4 Cb -0.01 0.38 0.19 0.00 -1.46 0.00 0.00 37.83 36.93 2rq9 s LYS 4 CO -0.10 -0.54 0.38 1.17 0.16 0.00 0.00 175.35 176.42 2rq9 n LYS 5 N -0.51 0.30 -1.53 4.03 4.81 -1.26 -4.83 118.16 119.18 2rq9 n LYS 5 Ca -0.06 -3.19 -0.29 0.00 -0.87 0.00 0.00 58.31 53.90 2rq9 n LYS 5 Cb 0.61 -1.59 0.17 0.00 0.02 0.00 0.00 35.03 34.25 2rq9 n LYS 5 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 2rq9 s PRO 6 N -0.20 0.41 0.05 1.64 0.04 -1.26 -4.83 135.00 130.86 2rq9 s PRO 6 Ca 0.33 0.01 -0.08 0.00 0.04 0.00 0.00 61.00 61.31 2rq9 s PRO 6 Cb 0.07 -1.78 -0.00 0.00 0.04 0.00 0.00 34.50 32.82 2rq9 s PRO 6 CO -0.18 -2.64 0.16 0.15 0.04 0.00 0.00 177.00 174.53 2rq9 s LYS 7 N -5.48 0.69 -0.10 4.56 3.01 -1.01 -3.23 119.74 118.19 2rq9 s LYS 7 Ca 0.68 -0.74 -0.04 0.00 -1.01 0.00 0.00 55.97 54.86 2rq9 s LYS 7 Cb -0.11 0.28 -0.04 0.00 -1.01 0.00 0.00 37.83 36.96 2rq9 s LYS 7 CO 0.54 -0.20 0.07 -0.51 0.51 0.00 0.00 175.35 175.77 2rq9 s LEU 8 N -2.27 4.00 -0.54 3.17 2.01 -0.89 -4.02 118.68 120.13 2rq9 s LEU 8 Ca -0.03 0.31 -0.21 0.00 0.01 0.00 0.00 54.13 54.21 2rq9 s LEU 8 Cb 0.00 -1.96 0.06 0.00 0.01 0.00 0.00 46.19 44.30 2rq9 s LEU 8 CO -0.06 0.39 0.75 -0.76 1.01 0.00 0.00 176.35 177.68 2rq9 s LEU 9 N -1.00 4.72 -0.24 1.79 2.01 -1.26 -0.68 118.68 124.03 2rq9 s LEU 9 Ca 0.15 -0.82 -0.26 0.00 0.01 0.00 0.00 54.13 53.21 2rq9 s LEU 9 Cb -0.12 -2.53 -0.00 0.00 0.01 0.00 0.00 46.19 43.55 2rq9 s LEU 9 CO 0.04 -1.06 0.89 -0.47 1.01 0.00 0.00 176.35 176.76 2rq9 s TYR 10 N 3.13 3.32 -0.99 0.29 5.04 -0.12 -3.74 117.35 124.27 2rq9 s TYR 10 Ca 0.19 1.23 -0.04 0.00 -2.44 0.00 0.00 57.07 56.01 2rq9 s TYR 10 Cb -0.18 -3.11 0.25 0.00 0.35 0.00 0.00 41.96 39.27 2rq9 s TYR 10 CO 0.13 -0.42 0.97 0.00 -1.34 0.00 0.00 175.55 174.89 2rq9 n SER 12 N 2.29 0.26 -0.59 0.00 2.88 -1.25 0.20 113.62 117.40 2rq9 n SER 12 Ca 0.23 1.41 0.47 0.00 -1.33 0.00 0.00 58.87 59.65 2rq9 n SER 12 Cb 0.37 -0.69 0.75 0.00 -0.75 0.00 0.00 64.21 63.90 2rq9 n SER 12 CO 0.00 0.00 0.00 -1.13 -1.23 0.00 0.00 175.04 172.68 2rq9 h ASN 13 N 0.00 0.10 0.00 -3.46 -1.24 -1.86 -3.28 115.58 105.85 2rq9 h ASN 13 Ca 0.80 0.08 0.00 0.00 0.71 0.00 0.00 56.30 57.89 2rq9 h ASN 13 Cb 2.36 0.08 0.00 0.00 0.73 0.00 0.00 38.32 41.49 2rq9 h ASN 13 CO -0.57 -0.13 0.00 0.61 -1.29 0.00 0.00 177.43 176.05 2rq9 n GLY 14 N -1.72 -0.00 0.00 1.57 0.00 0.51 -4.90 105.19 100.65 2rq9 n GLY 14 Ca 0.42 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.44 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 1.45 0.80 3.12 -0.02 0.00 0.53 -5.02 105.19 106.06 2rq9 n GLY 15 Ca 0.00 -0.79 -0.09 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 -1.64 0.23 -0.04 1.61 3.76 -1.26 -4.61 115.29 113.35 2rq9 s HIS 16 Ca 0.00 -0.57 -0.02 0.00 -0.15 0.00 0.00 55.06 54.32 2rq9 s HIS 16 Cb 0.00 -0.16 -0.04 0.00 1.11 0.00 0.00 32.58 33.49 2rq9 s HIS 16 CO 0.00 -0.39 0.08 -0.06 -0.85 0.00 0.00 174.74 173.52 2rq9 s PHE 17 N -2.90 3.33 -0.07 1.40 0.08 0.50 -2.73 117.98 117.59 2rq9 s PHE 17 Ca -0.02 0.27 -0.30 0.00 0.12 0.00 0.00 56.93 57.00 2rq9 s PHE 17 Cb 0.01 -1.79 -0.02 0.00 -0.57 0.00 0.00 43.02 40.64 2rq9 s PHE 17 CO -0.06 0.57 1.12 -1.17 -0.10 0.00 0.00 175.22 175.58 2rq9 s LEU 18 N -1.46 4.27 0.13 -0.37 2.96 -1.25 0.22 118.68 123.18 2rq9 s LEU 18 Ca 0.20 1.70 0.06 0.00 -0.22 0.00 0.00 54.13 55.87 2rq9 s LEU 18 Cb -0.12 -3.56 -0.04 0.00 0.50 0.00 0.00 46.19 42.97 2rq9 s LEU 18 CO 0.10 -0.52 -0.14 0.00 -1.32 0.00 0.00 176.35 174.47 2rq9 s ARG 19 N 2.10 1.05 -0.20 1.98 1.70 -0.83 -4.52 118.95 120.23 2rq9 s ARG 19 Ca 0.53 -1.28 0.01 0.00 -0.47 0.00 0.00 55.73 54.52 2rq9 s ARG 19 Cb -0.22 -0.92 0.05 0.00 -0.57 0.00 0.00 34.95 33.29 2rq9 s ARG 19 CO 0.20 0.17 -0.10 0.42 -1.08 0.00 0.00 175.30 174.92 2rq9 s ILE 20 N -2.25 1.63 0.67 4.99 1.01 -1.23 -2.75 121.20 123.26 2rq9 s ILE 20 Ca 0.10 -1.04 -0.13 0.00 0.00 0.00 0.00 60.65 59.58 2rq9 s ILE 20 Cb -0.04 -1.73 -0.00 0.00 0.01 0.00 0.00 42.46 40.70 2rq9 s ILE 20 CO 0.03 0.13 1.08 -0.76 0.00 0.00 0.00 174.94 175.42 2rq9 s LEU 21 N 1.39 3.31 0.00 2.97 1.43 0.16 -4.79 118.68 123.15 2rq9 s LEU 21 Ca -0.02 1.82 0.23 0.00 -1.03 0.00 0.00 54.13 55.13 2rq9 s LEU 21 Cb -0.17 -4.53 1.17 0.00 0.03 0.00 0.00 46.19 42.70 2rq9 s LEU 21 CO -0.08 -1.51 1.74 -0.81 0.23 0.00 0.00 176.35 175.93 2rq9 n PRO 22 N -2.64 0.37 0.04 1.29 -0.04 -1.26 -2.04 135.00 130.72 2rq9 n PRO 22 Ca 0.09 0.06 0.11 0.00 -0.04 0.00 0.00 63.50 63.73 2rq9 n PRO 22 Cb 0.53 -1.50 0.04 0.00 -0.04 0.00 0.00 33.50 32.53 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 -1.25 0.63 0.00 3.54 2.03 -1.26 -4.95 116.55 115.29 2rq9 n ASP 23 Ca 0.12 -0.05 0.00 0.00 0.52 0.00 0.00 54.79 55.38 2rq9 n ASP 23 Cb 0.17 0.66 0.00 0.00 -0.72 0.00 0.00 41.12 41.23 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 1.33 0.82 3.27 0.27 0.00 -0.86 -4.99 105.19 105.02 2rq9 n GLY 24 Ca 0.02 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.55 1.71 -0.13 2.61 2.01 -1.24 -3.65 115.64 115.40 2rq9 s THR 25 Ca 0.00 -1.41 -0.00 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 0.05 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.22 2rq9 s VAL 26 N -1.01 1.06 0.11 3.82 1.01 -1.26 0.36 120.40 124.49 2rq9 s VAL 26 Ca 0.07 -0.38 -0.10 0.00 0.00 0.00 0.00 61.98 61.57 2rq9 s VAL 26 Cb -0.10 -1.12 0.00 0.00 0.00 0.00 0.00 36.38 35.17 2rq9 s VAL 26 CO 0.03 0.31 0.24 -1.81 0.00 0.00 0.00 175.10 173.87 2rq9 s ASP 27 N 1.68 0.06 0.30 3.32 1.01 -1.11 -4.28 116.67 117.65 2rq9 s ASP 27 Ca 0.04 -0.67 -0.19 0.00 0.71 0.00 0.00 52.55 52.45 2rq9 s ASP 27 Cb -0.13 0.38 -0.09 0.00 1.01 0.00 0.00 42.92 44.09 2rq9 s ASP 27 CO -0.08 -0.79 0.78 -0.83 0.21 0.00 0.00 175.17 174.46 2rq9 s GLY 28 N -2.88 2.49 -0.13 0.21 0.00 0.79 -1.97 107.32 105.83 2rq9 s GLY 28 Ca 0.08 0.18 -0.15 0.00 0.00 0.00 0.00 44.72 44.82 2rq9 s GLY 28 CO -0.08 0.47 0.41 -1.08 0.00 0.00 0.00 173.10 172.82 2rq9 s THR 29 N -1.80 0.01 -0.19 0.90 -1.32 0.13 -4.72 115.64 108.66 2rq9 s THR 29 Ca 0.50 -0.06 0.16 0.00 -1.21 0.00 0.00 61.69 61.08 2rq9 s THR 29 Cb -0.13 -0.60 0.45 0.00 -1.51 0.00 0.00 72.50 70.70 2rq9 s THR 29 CO 0.19 -0.03 1.18 -2.11 -2.21 0.00 0.00 174.62 171.64 2rq9 n ARG 30 N 2.58 1.71 0.03 7.08 1.85 -1.26 0.19 116.66 128.83 2rq9 n ARG 30 Ca -0.14 -3.23 0.11 0.00 -1.00 0.00 0.00 57.85 53.59 2rq9 n ARG 30 Cb 0.57 -1.38 0.05 0.00 -1.05 0.00 0.00 32.46 30.65 2rq9 n ARG 30 CO 0.00 0.00 0.00 -3.47 -0.01 0.00 0.00 177.63 174.15 2rq9 n ASP 31 N -0.55 0.63 0.00 2.89 -0.08 -1.26 -4.94 116.55 113.23 2rq9 n ASP 31 Ca 0.20 -0.17 0.00 0.00 -1.51 0.00 0.00 54.79 53.31 2rq9 n ASP 31 Cb 0.88 0.67 0.00 0.00 2.34 0.00 0.00 41.12 45.01 2rq9 n ASP 31 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 2rq9 n ARG 32 N -1.96 0.00 -0.28 -0.67 1.74 -1.26 -4.35 116.66 109.87 2rq9 n ARG 32 Ca 0.02 0.00 0.26 0.00 -0.77 0.00 0.00 57.85 57.36 2rq9 n ARG 32 Cb 0.43 0.00 0.45 0.00 -1.02 0.00 0.00 32.46 32.33 2rq9 n ARG 32 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2rq9 n SER 33 N 1.18 0.22 -4.44 0.55 2.88 -1.26 -4.42 113.62 108.32 2rq9 n SER 33 Ca 0.00 1.13 -0.43 0.00 -1.33 0.00 0.00 58.87 58.24 2rq9 n SER 33 Cb 0.00 -0.55 -0.00 0.00 -0.75 0.00 0.00 64.21 62.90 2rq9 n SER 33 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2rq9 n ASP 34 N -4.45 -0.89 -0.06 -3.46 8.00 -1.26 -4.90 116.55 109.52 2rq9 n ASP 34 Ca 0.28 0.98 -0.06 0.00 0.71 0.00 0.00 54.79 56.70 2rq9 n ASP 34 Cb 1.02 -1.08 -0.10 0.00 -0.02 0.00 0.00 41.12 40.94 2rq9 n ASP 34 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2rq9 n GLN 35 N 0.79 1.79 0.29 -1.24 6.02 -1.26 -4.37 117.38 119.40 2rq9 n GLN 35 Ca 0.12 -0.01 0.16 0.00 -0.01 0.00 0.00 57.00 57.26 2rq9 n GLN 35 Cb 0.36 -1.34 0.86 0.00 1.02 0.00 0.00 30.24 31.13 2rq9 n GLN 35 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2rq9 h HIS 36 N 0.00 0.00 0.00 1.08 3.86 -1.90 -0.39 115.15 117.80 2rq9 h HIS 36 Ca -0.35 0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 58.79 2rq9 h HIS 36 Cb 1.78 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 30.24 2rq9 h HIS 36 CO 0.00 0.06 -0.33 -0.84 0.86 0.00 0.00 177.93 177.68 2rq9 h ILE 37 N 0.00 1.19 -0.45 2.45 3.07 -1.79 -3.27 117.51 118.71 2rq9 h ILE 37 Ca -0.00 -1.15 -0.25 0.00 1.55 0.00 0.00 64.86 65.01 2rq9 h ILE 37 Cb 0.24 1.63 -0.03 0.00 -0.27 0.00 0.00 36.82 38.39 2rq9 h ILE 37 CO 0.01 0.32 0.75 -1.10 -1.05 0.00 0.00 178.15 177.08 2rq9 s GLN 38 N -4.23 2.21 0.07 0.16 -0.21 -0.16 -4.73 119.66 112.77 2rq9 s GLN 38 Ca -0.03 -0.74 -0.06 0.00 0.02 0.00 0.00 55.36 54.55 2rq9 s GLN 38 Cb 0.14 -5.13 -0.05 0.00 1.00 0.00 0.00 33.01 28.97 2rq9 s GLN 38 CO 0.71 -4.16 0.32 -0.51 -2.12 0.00 0.00 175.29 169.52 2rq9 s LEU 39 N 12.16 4.33 -0.32 2.90 1.43 -1.26 -2.88 118.68 135.05 2rq9 s LEU 39 Ca 0.73 0.58 -0.09 0.00 -1.03 0.00 0.00 54.13 54.31 2rq9 s LEU 39 Cb -0.04 -2.95 0.00 0.00 0.03 0.00 0.00 46.19 43.23 2rq9 s LEU 39 CO 0.11 0.17 0.14 0.00 0.23 0.00 0.00 176.35 177.00 2rq9 s GLN 40 N -2.14 3.20 -0.03 1.70 -2.07 0.20 -2.41 119.66 118.11 2rq9 s GLN 40 Ca 0.33 -0.80 -0.17 0.00 -1.82 0.00 0.00 55.36 52.90 2rq9 s GLN 40 Cb -0.13 -3.55 -0.05 0.00 -1.09 0.00 0.00 33.01 28.19 2rq9 s GLN 40 CO 0.20 -0.47 0.45 -0.51 -1.32 0.00 0.00 175.29 173.65 2rq9 s LEU 41 N 1.58 4.41 0.12 2.60 1.02 -1.26 -2.21 118.68 124.95 2rq9 s LEU 41 Ca 0.04 0.95 0.02 0.00 0.02 0.00 0.00 54.13 55.16 2rq9 s LEU 41 Cb -0.17 -2.67 -0.04 0.00 0.02 0.00 0.00 46.19 43.32 2rq9 s LEU 41 CO 0.05 0.20 -0.05 -0.44 0.02 0.00 0.00 176.35 176.14 2rq9 s SER 42 N -0.48 1.19 -0.14 2.29 0.01 0.56 -4.94 113.70 112.20 2rq9 s SER 42 Ca 0.25 -1.06 0.01 0.00 1.31 0.00 0.00 55.95 56.47 2rq9 s SER 42 Cb -0.17 0.10 -0.00 0.00 0.21 0.00 0.00 66.02 66.16 2rq9 s SER 42 CO 0.13 -0.49 -0.18 0.00 0.41 0.00 0.00 173.24 173.11 2rq9 s ALA 43 N -3.62 2.41 -0.16 1.44 0.00 -1.26 0.20 121.76 120.77 2rq9 s ALA 43 Ca 0.16 -1.02 -0.04 0.00 0.00 0.00 0.00 51.96 51.07 2rq9 s ALA 43 Cb 0.05 -1.11 -0.09 0.00 0.00 0.00 0.00 23.12 21.98 2rq9 s ALA 43 CO -0.02 0.07 -0.18 -1.91 0.00 0.00 0.00 175.76 173.73 2rq9 n GLU 44 N 3.88 0.37 -4.41 0.00 2.13 -1.18 -4.97 120.64 116.46 2rq9 n GLU 44 Ca -0.19 0.12 -0.20 0.00 0.66 0.00 0.00 57.16 57.55 2rq9 n GLU 44 Cb 0.52 -1.20 -0.10 0.00 0.27 0.00 0.00 31.44 30.93 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 -6.03 2.26 0.09 4.31 0.01 -1.25 -5.03 113.70 108.06 2rq9 s SER 45 Ca -0.22 -1.31 -0.31 0.00 1.31 0.00 0.00 55.95 55.42 2rq9 s SER 45 Cb 0.07 -0.07 -0.10 0.00 0.21 0.00 0.00 66.02 66.14 2rq9 s SER 45 CO 0.33 -0.55 1.86 -0.69 0.41 0.00 0.00 173.24 174.60 2rq9 s VAL 46 N -3.30 2.75 0.00 3.43 1.01 -1.26 -0.20 120.40 122.82 2rq9 s VAL 46 Ca 0.34 0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.40 2rq9 s VAL 46 Cb 0.07 -3.05 0.00 0.00 0.00 0.00 0.00 36.38 33.40 2rq9 s VAL 46 CO 0.13 -0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.84 2rq9 n GLY 47 N 4.32 0.34 3.41 4.51 0.00 -1.26 -4.99 105.19 111.52 2rq9 n GLY 47 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.73 2.95 0.03 1.61 2.02 0.72 -2.12 118.70 123.17 2rq9 s GLU 48 Ca 0.00 -0.70 0.01 0.00 0.02 0.00 0.00 54.97 54.30 2rq9 s GLU 48 Cb 0.00 -2.49 -0.02 0.00 0.10 0.00 0.00 34.13 31.72 2rq9 s GLU 48 CO 0.00 0.41 -0.06 0.14 0.02 0.00 0.00 175.26 175.77 2rq9 s VAL 49 N -0.17 0.40 -0.10 2.63 -7.23 0.31 -3.08 120.40 113.16 2rq9 s VAL 49 Ca -0.01 -0.91 0.03 0.00 -1.81 0.00 0.00 61.98 59.28 2rq9 s VAL 49 Cb -0.13 -0.47 -0.01 0.00 0.56 0.00 0.00 36.38 36.33 2rq9 s VAL 49 CO 0.03 -0.35 -0.19 -0.31 -0.31 0.00 0.00 175.10 173.98 2rq9 s TYR 50 N -1.22 2.66 -0.23 2.82 2.02 0.53 -1.71 117.35 122.21 2rq9 s TYR 50 Ca -0.10 -0.76 -0.06 0.00 -0.37 0.00 0.00 57.07 55.78 2rq9 s TYR 50 Cb -0.09 -1.74 -0.02 0.00 -0.40 0.00 0.00 41.96 39.71 2rq9 s TYR 50 CO -0.00 -0.25 0.02 0.42 -1.57 0.00 0.00 175.55 174.17 2rq9 s ILE 51 N 0.18 3.96 0.02 2.71 1.01 -1.26 -0.32 121.20 127.50 2rq9 s ILE 51 Ca -0.11 -0.30 0.02 0.00 0.00 0.00 0.00 60.65 60.26 2rq9 s ILE 51 Cb -0.16 -2.83 -0.02 0.00 0.01 0.00 0.00 42.46 39.47 2rq9 s ILE 51 CO 0.06 0.38 -0.06 -0.75 0.00 0.00 0.00 174.94 174.57 2rq9 s LYS 52 N 1.44 0.45 0.02 2.79 2.20 -0.94 -2.09 119.74 123.61 2rq9 s LYS 52 Ca 0.05 -0.53 -0.26 0.00 -0.36 0.00 0.00 55.97 54.86 2rq9 s LYS 52 Cb -0.15 -0.27 -0.04 0.00 -1.51 0.00 0.00 37.83 35.85 2rq9 s LYS 52 CO 0.01 0.06 0.83 0.45 -0.36 0.00 0.00 175.35 176.34 2rq9 s SER 53 N -1.05 7.23 0.28 1.43 0.15 -0.66 0.60 113.70 121.68 2rq9 s SER 53 Ca -0.06 1.48 0.24 0.00 0.70 0.00 0.00 55.95 58.31 2rq9 s SER 53 Cb -0.07 -2.50 0.39 0.00 -1.71 0.00 0.00 66.02 62.13 2rq9 s SER 53 CO 0.00 -0.10 1.48 0.71 1.20 0.00 0.00 173.24 176.54 2rq9 h THR 54 N 4.43 0.00 0.00 6.45 1.35 -1.84 -2.86 112.91 120.44 2rq9 h THR 54 Ca -0.42 -0.78 0.00 0.00 -0.55 0.00 0.00 66.41 64.66 2rq9 h THR 54 Cb 1.21 1.60 0.00 0.00 -1.73 0.00 0.00 68.15 69.22 2rq9 h THR 54 CO 0.73 0.00 0.00 1.21 -0.25 0.00 0.00 175.52 177.21 2rq9 n GLU 55 N -2.62 0.00 0.20 4.72 4.07 -1.26 -4.71 120.64 121.04 2rq9 n GLU 55 Ca 0.03 0.17 -0.08 0.00 -0.06 0.00 0.00 57.16 57.22 2rq9 n GLU 55 Cb 0.49 -0.64 -0.04 0.00 -0.06 0.00 0.00 31.44 31.19 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 -0.22 0.00 0.00 -0.55 0.00 0.00 66.41 65.64 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 -0.23 1.39 1.61 5.82 0.00 -1.08 -5.06 105.19 107.65 2rq9 n GLY 57 Ca -0.07 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.83 2rq9 n GLY 57 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2rq9 n GLN 58 N 0.00 -2.26 -4.42 1.61 3.00 -1.26 -4.41 117.38 109.65 2rq9 n GLN 58 Ca 0.00 -0.59 -0.21 0.00 -0.01 0.00 0.00 57.00 56.19 2rq9 n GLN 58 Cb 0.00 -0.89 -0.10 0.00 0.00 0.00 0.00 30.24 29.26 2rq9 n GLN 58 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.06 177.77 2rq9 s TYR 59 N -1.45 1.75 -0.33 1.08 2.02 -0.29 -1.66 117.35 118.48 2rq9 s TYR 59 Ca 0.27 -1.18 -0.09 0.00 -0.37 0.00 0.00 57.07 55.70 2rq9 s TYR 59 Cb -0.05 -1.08 0.01 0.00 -0.40 0.00 0.00 41.96 40.44 2rq9 s TYR 59 CO 0.23 -0.25 0.15 -1.17 -1.57 0.00 0.00 175.55 172.93 2rq9 s LEU 60 N -3.46 4.25 0.02 -1.29 2.96 -0.89 -1.89 118.68 118.39 2rq9 s LEU 60 Ca 0.33 -0.73 0.01 0.00 -0.22 0.00 0.00 54.13 53.52 2rq9 s LEU 60 Cb 0.06 -1.98 -0.02 0.00 0.50 0.00 0.00 46.19 44.76 2rq9 s LEU 60 CO 0.15 -0.26 -0.05 0.00 -1.32 0.00 0.00 176.35 174.88 2rq9 s ALA 61 N 1.56 0.34 -0.29 5.97 0.00 -1.18 -4.31 121.76 123.86 2rq9 s ALA 61 Ca 0.03 -0.56 -0.08 0.00 0.00 0.00 0.00 51.96 51.35 2rq9 s ALA 61 Cb -0.18 0.06 -0.01 0.00 0.00 0.00 0.00 23.12 22.99 2rq9 s ALA 61 CO 0.05 -0.05 0.11 1.41 0.00 0.00 0.00 175.76 177.28 2rq9 s MET 62 N -1.19 3.36 0.00 0.00 1.75 -1.26 -1.34 119.30 120.63 2rq9 s MET 62 Ca -0.09 -0.69 0.00 0.00 -1.25 0.00 0.00 55.69 53.66 2rq9 s MET 62 Cb -0.08 -3.44 0.00 0.00 2.84 0.00 0.00 34.83 34.15 2rq9 s MET 62 CO -0.00 -0.36 0.00 -0.25 -0.65 0.00 0.00 175.02 173.76 2rq9 n ASP 63 N 4.93 -0.31 0.20 1.11 8.00 -0.93 -4.89 116.55 124.66 2rq9 n ASP 63 Ca -0.15 -0.39 0.09 0.00 0.71 0.00 0.00 54.79 55.05 2rq9 n ASP 63 Cb 0.49 0.00 0.17 0.00 -0.02 0.00 0.00 41.12 41.77 2rq9 n ASP 63 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 2rq9 h THR 64 N -0.84 0.29 0.00 -3.53 1.35 -1.99 -2.97 112.91 105.23 2rq9 h THR 64 Ca 0.00 -1.35 0.00 0.00 -0.55 0.00 0.00 66.41 64.51 2rq9 h THR 64 Cb 0.00 2.09 0.00 0.00 -1.73 0.00 0.00 68.15 68.51 2rq9 h THR 64 CO 0.00 0.16 0.00 -0.67 -0.25 0.00 0.00 175.52 174.76 2rq9 n ASP 65 N -3.15 0.67 0.00 5.36 2.03 -1.26 -4.83 116.55 115.36 2rq9 n ASP 65 Ca 0.03 0.69 0.00 0.00 0.52 0.00 0.00 54.79 56.03 2rq9 n ASP 65 Cb 0.57 -0.82 0.00 0.00 -0.72 0.00 0.00 41.12 40.15 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 -0.28 2.35 3.91 0.27 0.00 -1.12 -4.61 105.19 105.71 2rq9 n GLY 66 Ca 0.01 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.76 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 3.24 0.02 0.99 1.02 -1.26 -0.64 118.68 122.05 2rq9 s LEU 67 Ca 0.00 0.85 -0.05 0.00 0.02 0.00 0.00 54.13 54.95 2rq9 s LEU 67 Cb 0.00 -3.71 -0.05 0.00 0.02 0.00 0.00 46.19 42.45 2rq9 s LEU 67 CO 0.00 -1.02 0.25 -0.76 0.02 0.00 0.00 176.35 174.85 2rq9 s LEU 68 N -5.02 4.36 0.07 1.79 1.43 -1.26 -2.19 118.68 117.86 2rq9 s LEU 68 Ca 0.54 0.50 -0.01 0.00 -1.03 0.00 0.00 54.13 54.12 2rq9 s LEU 68 Cb -0.11 -2.72 -0.04 0.00 0.03 0.00 0.00 46.19 43.36 2rq9 s LEU 68 CO 0.47 0.24 -0.00 -0.72 0.23 0.00 0.00 176.35 176.56 2rq9 s TYR 69 N -1.34 0.57 -0.42 0.29 -0.85 -0.45 -4.22 117.35 110.93 2rq9 s TYR 69 Ca 0.29 -1.08 -0.29 0.00 -0.52 0.00 0.00 57.07 55.47 2rq9 s TYR 69 Cb -0.13 -0.39 0.03 0.00 0.38 0.00 0.00 41.96 41.84 2rq9 s TYR 69 CO 0.18 -0.42 1.10 0.20 -1.52 0.00 0.00 175.55 175.09 2rq9 s GLY 70 N -2.94 1.39 -0.31 5.49 0.00 -1.24 -3.07 107.32 106.63 2rq9 s GLY 70 Ca 0.10 -0.35 -0.20 0.00 0.00 0.00 0.00 44.72 44.27 2rq9 s GLY 70 CO -0.08 2.35 0.63 -0.56 0.00 0.00 0.00 173.10 175.44 2rq9 s SER 71 N 2.17 6.48 0.11 1.64 0.01 -0.79 -4.82 113.70 118.50 2rq9 s SER 71 Ca 0.46 0.37 -0.31 0.00 1.31 0.00 0.00 55.95 57.78 2rq9 s SER 71 Cb -0.09 -2.33 -0.10 0.00 0.21 0.00 0.00 66.02 63.71 2rq9 s SER 71 CO 0.26 -0.50 1.58 -0.61 0.41 0.00 0.00 173.24 174.38 2rq9 h GLN 72 N 8.24 -0.63 -6.20 12.44 4.15 -1.94 -0.75 115.11 130.42 2rq9 h GLN 72 Ca -0.27 0.04 -0.54 0.00 0.77 0.00 0.00 58.65 58.66 2rq9 h GLN 72 Cb 1.12 0.14 -0.06 0.00 0.21 0.00 0.00 27.48 28.89 2rq9 h GLN 72 CO 0.81 -0.42 -0.55 0.95 -1.93 0.00 0.00 178.83 177.69 2rq9 s THR 73 N -5.89 4.41 -0.15 2.39 -4.23 -1.26 -4.64 115.64 106.28 2rq9 s THR 73 Ca -0.16 -1.28 -0.29 0.00 -1.18 0.00 0.00 61.69 58.78 2rq9 s THR 73 Cb 0.07 -3.32 -0.02 0.00 1.34 0.00 0.00 72.50 70.58 2rq9 s THR 73 CO 0.63 -0.24 1.27 -2.16 -0.54 0.00 0.00 174.62 173.58 2rq9 s PRO 74 N -3.48 4.25 0.19 3.99 0.04 -1.26 -4.86 135.00 133.87 2rq9 s PRO 74 Ca 0.32 1.68 0.07 0.00 0.04 0.00 0.00 61.00 63.11 2rq9 s PRO 74 Cb -0.09 -3.74 -0.05 0.00 0.04 0.00 0.00 34.50 30.66 2rq9 s PRO 74 CO 0.24 -0.68 -0.14 0.54 0.04 0.00 0.00 177.00 177.00 2rq9 s ASN 75 N 1.95 2.44 0.62 6.66 2.20 -1.26 -5.00 114.94 122.55 2rq9 s ASN 75 Ca 0.55 -0.99 0.26 0.00 -0.94 0.00 0.00 52.86 51.74 2rq9 s ASN 75 Cb -0.22 -0.12 1.29 0.00 -2.00 0.00 0.00 41.25 40.20 2rq9 s ASN 75 CO 0.16 -0.18 1.72 -0.33 -2.94 0.00 0.00 177.10 175.53 2rq9 h GLU 76 N 2.71 0.00 0.00 3.55 5.08 -1.95 2.02 114.58 125.99 2rq9 h GLU 76 Ca -0.38 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 57.97 2rq9 h GLU 76 Cb 1.21 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.46 2rq9 h GLU 76 CO 0.61 0.00 -0.05 0.93 -1.00 0.00 0.00 179.01 179.49 2rq9 h GLU 77 N 0.00 0.00 0.00 2.33 5.08 -1.95 -1.73 114.58 118.30 2rq9 h GLU 77 Ca 0.19 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 2rq9 h GLU 77 Cb 1.44 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.69 2rq9 h GLU 77 CO -0.00 0.05 -0.27 0.00 -1.00 0.00 0.00 179.01 177.79 2rq9 s LEU 79 N -4.41 4.28 0.24 0.00 2.96 -0.65 -4.11 118.68 117.00 2rq9 s LEU 79 Ca 0.09 1.36 0.05 0.00 -0.22 0.00 0.00 54.13 55.41 2rq9 s LEU 79 Cb 0.13 -3.32 -0.05 0.00 0.50 0.00 0.00 46.19 43.44 2rq9 s LEU 79 CO 0.65 -0.28 -0.03 -0.36 -1.32 0.00 0.00 176.35 175.01 2rq9 s PHE 80 N 1.39 1.70 -0.22 5.38 0.40 -0.70 -1.52 117.98 124.42 2rq9 s PHE 80 Ca 0.43 -0.82 -0.08 0.00 -0.60 0.00 0.00 56.93 55.86 2rq9 s PHE 80 Cb -0.18 -0.97 -0.04 0.00 0.51 0.00 0.00 43.02 42.33 2rq9 s PHE 80 CO 0.19 0.10 0.09 -0.51 0.70 0.00 0.00 175.22 175.79 2rq9 s LEU 81 N -3.35 3.76 0.02 -0.37 2.01 0.14 -0.53 118.68 120.36 2rq9 s LEU 81 Ca 0.28 -0.00 0.02 0.00 0.01 0.00 0.00 54.13 54.44 2rq9 s LEU 81 Cb 0.05 -1.98 -0.04 0.00 0.01 0.00 0.00 46.19 44.23 2rq9 s LEU 81 CO 0.09 0.08 0.01 -0.70 1.01 0.00 0.00 176.35 176.85 2rq9 s GLU 82 N 0.92 2.77 0.14 1.70 -6.30 -0.90 -1.80 118.70 115.23 2rq9 s GLU 82 Ca 0.05 -0.65 -0.16 0.00 -2.50 0.00 0.00 54.97 51.70 2rq9 s GLU 82 Cb -0.14 -2.66 0.03 0.00 0.00 0.00 0.00 34.13 31.36 2rq9 s GLU 82 CO 0.03 0.60 0.42 0.50 0.02 0.00 0.00 175.26 176.83 2rq9 s ARG 83 N -1.79 1.14 -0.06 4.30 3.00 -0.96 -4.78 118.95 119.80 2rq9 s ARG 83 Ca 0.22 -0.77 -0.17 0.00 -1.00 0.00 0.00 55.73 54.01 2rq9 s ARG 83 Cb -0.12 0.47 -0.05 0.00 0.00 0.00 0.00 34.95 35.26 2rq9 s ARG 83 CO 0.13 -0.45 0.45 -1.17 0.00 0.00 0.00 175.30 174.26 2rq9 s LEU 84 N -2.83 4.37 0.27 -0.88 1.98 -1.26 -2.26 118.68 118.07 2rq9 s LEU 84 Ca 0.05 0.89 0.06 0.00 -2.89 0.00 0.00 54.13 52.23 2rq9 s LEU 84 Cb 0.01 -2.65 -0.06 0.00 0.66 0.00 0.00 46.19 44.15 2rq9 s LEU 84 CO -0.09 0.15 -0.03 -1.61 -1.89 0.00 0.00 176.35 172.87 2rq9 s GLU 85 N -0.15 1.51 1.48 1.98 2.02 0.11 -4.97 118.70 120.69 2rq9 s GLU 85 Ca 0.25 -1.77 -0.25 0.00 0.02 0.00 0.00 54.97 53.22 2rq9 s GLU 85 Cb -0.16 -1.01 0.38 0.00 0.10 0.00 0.00 34.13 33.44 2rq9 s GLU 85 CO 0.12 -0.01 0.90 -1.21 0.02 0.00 0.00 175.26 175.07 2rq9 s GLU 86 N -3.77 -3.37 -1.26 1.61 2.02 -1.26 -2.46 118.70 110.21 2rq9 s GLU 86 Ca 0.30 0.06 0.00 0.00 0.02 0.00 0.00 54.97 55.35 2rq9 s GLU 86 Cb 0.05 -1.33 0.00 0.00 0.10 0.00 0.00 34.13 32.94 2rq9 s GLU 86 CO 0.11 -5.14 0.00 0.09 0.02 0.00 0.00 175.26 170.34 2rq9 n ASN 87 N -5.81 -5.55 -3.54 -0.19 3.02 -1.26 -2.09 115.26 99.83 2rq9 n ASN 87 Ca 0.14 0.29 -0.21 0.00 -0.03 0.00 0.00 54.58 54.78 2rq9 n ASN 87 Cb 0.61 -4.10 0.05 0.00 -0.61 0.00 0.00 39.78 35.73 2rq9 n ASN 87 CO 0.00 0.00 0.00 1.57 -2.62 0.00 0.00 177.26 176.21 2rq9 n HIS 88 N -2.28 -2.09 -4.39 3.10 -0.00 -1.22 -5.00 115.22 103.33 2rq9 n HIS 88 Ca -0.12 0.80 -0.19 0.00 0.46 0.00 0.00 57.72 58.66 2rq9 n HIS 88 Cb 0.58 -4.29 -0.10 0.00 -0.12 0.00 0.00 29.99 26.05 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 -3.51 1.79 0.41 1.57 2.02 -0.89 -4.86 117.35 113.87 2rq9 s TYR 89 Ca 0.19 -1.06 0.07 0.00 -0.37 0.00 0.00 57.07 55.90 2rq9 s TYR 89 Cb -0.04 -1.12 -0.08 0.00 -0.40 0.00 0.00 41.96 40.32 2rq9 s TYR 89 CO 0.79 -0.14 0.01 1.21 -1.57 0.00 0.00 175.55 175.85 2rq9 s ASN 90 N -3.41 3.81 -0.05 2.29 3.84 0.51 -0.71 114.94 121.22 2rq9 s ASN 90 Ca 0.37 -1.37 -0.05 0.00 0.21 0.00 0.00 52.86 52.02 2rq9 s ASN 90 Cb 0.08 -0.38 0.01 0.00 -0.55 0.00 0.00 41.25 40.41 2rq9 s ASN 90 CO 0.15 -0.46 0.14 0.42 -2.79 0.00 0.00 177.10 174.56 2rq9 s THR 91 N -2.74 0.01 -0.04 -5.21 -4.23 -0.96 0.46 115.64 102.94 2rq9 s THR 91 Ca 0.35 -0.11 0.02 0.00 -1.18 0.00 0.00 61.69 60.77 2rq9 s THR 91 Cb 0.10 -0.24 0.01 0.00 1.34 0.00 0.00 72.50 73.71 2rq9 s THR 91 CO 0.18 -0.06 -0.08 -0.31 -0.54 0.00 0.00 174.62 173.81 2rq9 s TYR 92 N -0.15 0.98 0.02 3.99 2.02 -1.25 -2.26 117.35 120.70 2rq9 s TYR 92 Ca -0.02 -0.29 0.04 0.00 -0.37 0.00 0.00 57.07 56.43 2rq9 s TYR 92 Cb -0.02 -0.75 -0.02 0.00 -0.40 0.00 0.00 41.96 40.77 2rq9 s TYR 92 CO 0.00 -0.17 -0.13 0.42 -1.57 0.00 0.00 175.55 174.10 2rq9 s ILE 93 N 0.54 1.05 0.26 2.71 1.01 -0.75 -3.13 121.20 122.90 2rq9 s ILE 93 Ca -0.09 -0.83 -0.29 0.00 0.00 0.00 0.00 60.65 59.43 2rq9 s ILE 93 Cb -0.12 -0.93 -0.09 0.00 0.01 0.00 0.00 42.46 41.32 2rq9 s ILE 93 CO 0.01 0.09 1.25 -0.55 0.00 0.00 0.00 174.94 175.74 2rq9 s SER 94 N -0.85 6.96 0.00 3.58 0.15 -1.25 0.23 113.70 122.53 2rq9 s SER 94 Ca 0.02 2.45 -0.06 0.00 0.70 0.00 0.00 55.95 59.07 2rq9 s SER 94 Cb -0.07 -2.63 -0.03 0.00 -1.71 0.00 0.00 66.02 61.58 2rq9 s SER 94 CO 0.01 -0.42 0.75 0.50 1.20 0.00 0.00 173.24 175.27 2rq9 h LYS 95 N 4.28 -0.19 -0.40 5.44 3.11 -1.51 1.43 116.57 128.73 2rq9 h LYS 95 Ca -0.47 0.01 0.12 0.00 -2.81 0.00 0.00 60.65 57.50 2rq9 h LYS 95 Cb 1.22 0.04 -0.02 0.00 -1.00 0.00 0.00 32.23 32.48 2rq9 h LYS 95 CO 0.70 -0.13 0.47 -0.22 -2.81 0.00 0.00 179.45 177.47 2rq9 h LYS 96 N -0.28 0.00 -1.09 1.90 3.64 -1.80 0.27 116.57 119.22 2rq9 h LYS 96 Ca -0.02 0.00 -0.54 0.00 -1.27 0.00 0.00 60.65 58.82 2rq9 h LYS 96 Cb 0.15 0.00 -0.42 0.00 -0.41 0.00 0.00 32.23 31.55 2rq9 h LYS 96 CO 0.03 0.00 -0.81 0.72 -2.27 0.00 0.00 179.45 177.12 2rq9 n HIS 97 N -3.61 2.89 -0.08 1.91 -0.00 -1.13 -4.73 115.22 110.47 2rq9 n HIS 97 Ca 0.07 -2.65 -0.23 0.00 -0.00 0.00 0.00 57.72 54.92 2rq9 n HIS 97 Cb 0.64 -0.22 -0.12 0.00 -0.00 0.00 0.00 29.99 30.29 2rq9 n HIS 97 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2rq9 n ALA 98 N -0.57 0.88 0.21 -1.41 0.00 0.49 -3.59 120.51 116.52 2rq9 n ALA 98 Ca 0.38 -0.60 0.16 0.00 0.00 0.00 0.00 53.44 53.38 2rq9 n ALA 98 Cb 0.82 -0.50 0.82 0.00 0.00 0.00 0.00 19.45 20.59 2rq9 n ALA 98 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2rq9 h GLU 99 N -0.70 0.00 0.00 0.00 3.07 -1.81 0.92 114.58 116.05 2rq9 h GLU 99 Ca -0.42 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.44 2rq9 h GLU 99 Cb 1.54 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.45 2rq9 h GLU 99 CO -0.16 0.00 0.00 1.63 -1.40 0.00 0.00 179.01 179.08 2rq9 n LYS 100 N -3.91 0.71 -3.61 2.33 5.02 -1.26 -4.91 118.16 112.52 2rq9 n LYS 100 Ca 0.01 0.01 -0.24 0.00 -2.02 0.00 0.00 58.31 56.07 2rq9 n LYS 100 Cb 0.28 -1.50 0.02 0.00 -0.02 0.00 0.00 35.03 33.81 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 -1.12 -5.63 -4.46 4.39 3.02 0.32 -4.82 115.26 106.96 2rq9 n ASN 101 Ca 0.19 -0.82 -0.33 0.00 -0.03 0.00 0.00 54.58 53.59 2rq9 n ASN 101 Cb 0.15 -3.10 -0.13 0.00 -0.61 0.00 0.00 39.78 36.09 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 -3.21 2.92 0.08 3.10 0.51 -1.24 -4.74 118.94 116.36 2rq9 s TRP 102 Ca 0.21 -0.38 0.05 0.00 -2.12 0.00 0.00 56.10 53.87 2rq9 s TRP 102 Cb -0.08 -1.87 -0.04 0.00 -0.81 0.00 0.00 33.47 30.67 2rq9 s TRP 102 CO 0.86 -0.04 -0.05 -0.06 -0.51 0.00 0.00 176.95 177.15 2rq9 s PHE 103 N 0.15 2.87 0.00 -1.98 0.08 -1.23 -3.84 117.98 114.03 2rq9 s PHE 103 Ca -0.04 -0.08 0.00 0.00 0.12 0.00 0.00 56.93 56.93 2rq9 s PHE 103 Cb -0.14 -1.51 0.00 0.00 -0.57 0.00 0.00 43.02 40.80 2rq9 s PHE 103 CO 0.04 0.44 0.00 0.28 -0.10 0.00 0.00 175.22 175.88 2rq9 n VAL 104 N 0.81 0.00 -1.13 -0.44 0.31 -1.18 -4.48 118.33 112.22 2rq9 n VAL 104 Ca -0.13 0.29 0.12 0.00 -0.01 0.00 0.00 64.34 64.62 2rq9 n VAL 104 Cb 0.52 -1.04 -0.05 0.00 -0.91 0.00 0.00 33.84 32.36 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 0.81 -1.74 3.12 2.92 0.00 -1.25 -4.03 105.19 105.02 2rq9 n GLY 105 Ca 0.00 -0.70 -0.09 0.00 0.00 0.00 0.00 46.02 45.23 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 -5.79 2.49 0.00 0.99 1.43 -1.26 -3.51 118.68 113.03 2rq9 s LEU 106 Ca 0.00 -0.99 -0.07 0.00 -1.03 0.00 0.00 54.13 52.04 2rq9 s LEU 106 Cb 0.00 0.07 0.14 0.00 0.03 0.00 0.00 46.19 46.43 2rq9 s LEU 106 CO 0.00 -0.53 0.87 0.29 0.23 0.00 0.00 176.35 177.21 2rq9 n LYS 107 N 0.09 -0.53 0.09 1.70 4.76 0.55 -4.79 118.16 120.03 2rq9 n LYS 107 Ca -0.13 -1.69 0.13 0.00 -2.87 0.00 0.00 58.31 53.74 2rq9 n LYS 107 Cb 0.61 -0.79 0.31 0.00 -1.84 0.00 0.00 35.03 33.31 2rq9 n LYS 107 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2rq9 n LYS 108 N -2.77 0.28 0.00 1.97 4.76 -1.26 -2.90 118.16 118.24 2rq9 n LYS 108 Ca 0.12 0.17 0.14 0.00 -2.87 0.00 0.00 58.31 55.87 2rq9 n LYS 108 Cb 0.42 -1.76 0.54 0.00 -1.84 0.00 0.00 35.03 32.40 2rq9 n LYS 108 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 2rq9 n ASN 109 N -2.21 0.76 -0.55 4.39 5.15 -1.26 -4.91 115.26 116.63 2rq9 n ASN 109 Ca 0.05 -0.82 0.00 0.00 -0.60 0.00 0.00 54.58 53.20 2rq9 n ASN 109 Cb 0.44 0.01 0.00 0.00 -0.53 0.00 0.00 39.78 39.69 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 1.27 0.82 3.06 8.20 0.00 -1.14 -4.91 105.19 112.49 2rq9 n GLY 110 Ca 0.15 -0.54 -0.12 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 -2.82 0.75 0.26 1.61 0.01 -1.26 -0.15 113.70 112.10 2rq9 s SER 111 Ca 0.00 -0.62 -0.30 0.00 1.31 0.00 0.00 55.95 56.34 2rq9 s SER 111 Cb 0.00 0.06 -0.10 0.00 0.21 0.00 0.00 66.02 66.20 2rq9 s SER 111 CO 0.00 -0.28 1.39 0.00 0.41 0.00 0.00 173.24 174.77 2rq9 s LYS 113 N -0.62 4.37 -0.04 0.00 2.20 -1.23 -4.76 119.74 119.65 2rq9 s LYS 113 Ca 0.57 0.64 -0.30 0.00 -0.36 0.00 0.00 55.97 56.52 2rq9 s LYS 113 Cb -0.41 -3.42 -0.15 0.00 -1.51 0.00 0.00 37.83 32.34 2rq9 s LYS 113 CO 0.45 0.16 0.83 0.54 -0.36 0.00 0.00 175.35 176.97 2rq9 n ARG 114 N 3.56 0.00 -0.14 4.03 3.00 -1.26 -4.78 116.66 121.07 2rq9 n ARG 114 Ca -0.05 0.00 -0.07 0.00 -0.01 0.00 0.00 57.85 57.72 2rq9 n ARG 114 Cb 0.51 -1.11 0.01 0.00 0.00 0.00 0.00 32.46 31.88 2rq9 n ARG 114 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.63 178.41 2rq9 h GLY 115 N 2.37 0.61 0.29 -0.13 0.00 -1.10 -0.27 103.07 104.84 2rq9 h GLY 115 Ca -0.37 -0.21 0.00 0.00 0.00 0.00 0.00 47.33 46.75 2rq9 h GLY 115 CO 0.51 0.19 0.00 -1.55 0.00 0.00 0.00 176.54 175.69 2rq9 n PRO 116 N -4.82 0.75 -2.45 4.80 -0.04 -1.26 -3.08 135.00 128.90 2rq9 n PRO 116 Ca 0.02 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.27 2rq9 n PRO 116 Cb 0.05 -1.14 0.01 0.00 -0.04 0.00 0.00 33.50 32.38 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 -0.64 2.88 -4.49 0.54 5.12 -0.11 -5.06 116.66 114.90 2rq9 n ARG 117 Ca 0.05 -4.11 -0.23 0.00 -1.93 0.00 0.00 57.85 51.63 2rq9 n ARG 117 Cb 0.02 -2.00 -0.11 0.00 -1.16 0.00 0.00 32.46 29.21 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 -4.72 1.53 0.08 0.55 -4.23 -1.18 -4.68 115.64 102.99 2rq9 s THR 118 Ca 0.43 -2.04 -0.06 0.00 -1.18 0.00 0.00 61.69 58.84 2rq9 s THR 118 Cb 0.41 -2.76 -0.01 0.00 1.34 0.00 0.00 72.50 71.48 2rq9 s THR 118 CO -0.08 -0.08 0.12 -1.00 -0.54 0.00 0.00 174.62 173.04 2rq9 s HIS 119 N -3.06 0.29 -0.06 3.99 3.76 -1.26 -4.95 115.29 113.99 2rq9 s HIS 119 Ca 0.34 -0.75 -0.19 0.00 -0.15 0.00 0.00 55.06 54.31 2rq9 s HIS 119 Cb 0.08 -0.17 -0.05 0.00 1.11 0.00 0.00 32.58 33.55 2rq9 s HIS 119 CO 0.15 -0.50 0.53 -0.47 -0.85 0.00 0.00 174.74 173.61 2rq9 s TYR 120 N -3.89 3.61 0.00 1.40 5.04 -1.26 -3.87 117.35 118.39 2rq9 s TYR 120 Ca 0.06 1.05 0.00 0.00 -2.44 0.00 0.00 57.07 55.75 2rq9 s TYR 120 Cb 0.06 -2.57 0.00 0.00 0.35 0.00 0.00 41.96 39.80 2rq9 s TYR 120 CO -0.10 0.29 0.00 0.41 -1.34 0.00 0.00 175.55 174.81 2rq9 n GLY 121 N 2.77 0.95 3.88 8.97 0.00 -1.26 -5.08 105.19 115.42 2rq9 n GLY 121 Ca -0.07 -0.01 -0.32 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.82 3.76 0.00 1.61 -0.21 -1.25 -4.96 119.66 117.80 2rq9 s GLN 122 Ca 0.00 0.20 0.21 0.00 0.02 0.00 0.00 55.36 55.79 2rq9 s GLN 122 Cb 0.00 -2.68 0.93 0.00 1.00 0.00 0.00 33.01 32.26 2rq9 s GLN 122 CO 0.00 0.34 1.66 1.17 -2.12 0.00 0.00 175.29 176.34 2rq9 n LYS 123 N -0.13 0.08 0.02 2.91 4.81 -1.26 -2.59 118.16 122.00 2rq9 n LYS 123 Ca -0.00 0.13 -0.02 0.00 -0.87 0.00 0.00 58.31 57.55 2rq9 n LYS 123 Cb 0.52 -1.50 -0.01 0.00 0.02 0.00 0.00 35.03 34.06 2rq9 n LYS 123 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2rq9 h ALA 124 N 2.79 -0.16 -0.99 3.14 0.00 -1.92 -3.02 119.26 119.09 2rq9 h ALA 124 Ca 0.00 -0.03 0.14 0.00 0.00 0.00 0.00 54.91 55.03 2rq9 h ALA 124 Cb 0.31 0.05 -0.09 0.00 0.00 0.00 0.00 17.79 18.06 2rq9 h ALA 124 CO 0.00 -0.15 0.62 -0.84 0.00 0.00 0.00 179.25 178.88 2rq9 h ILE 125 N -0.76 0.85 -2.88 0.00 3.07 -1.85 -3.35 117.51 112.59 2rq9 h ILE 125 Ca -0.01 -0.30 -0.52 0.00 1.55 0.00 0.00 64.86 65.57 2rq9 h ILE 125 Cb 0.10 -0.11 0.05 0.00 -0.27 0.00 0.00 36.82 36.58 2rq9 h ILE 125 CO 0.02 0.16 0.90 -0.76 -1.05 0.00 0.00 178.15 177.42 2rq9 s LEU 126 N -10.17 4.37 0.10 0.16 1.43 -1.07 -4.46 118.68 109.05 2rq9 s LEU 126 Ca -0.11 2.71 0.04 0.00 -1.03 0.00 0.00 54.13 55.73 2rq9 s LEU 126 Cb 0.23 -3.60 -0.04 0.00 0.03 0.00 0.00 46.19 42.81 2rq9 s LEU 126 CO 0.80 -0.86 -0.11 -0.36 0.23 0.00 0.00 176.35 176.06 2rq9 s PHE 127 N 0.95 1.12 -0.16 0.29 0.08 0.17 -4.53 117.98 115.91 2rq9 s PHE 127 Ca 0.70 -0.64 -0.01 0.00 0.12 0.00 0.00 56.93 57.09 2rq9 s PHE 127 Cb -0.45 -0.61 0.05 0.00 -0.57 0.00 0.00 43.02 41.44 2rq9 s PHE 127 CO 0.34 0.03 -0.01 -1.17 -0.10 0.00 0.00 175.22 174.30 2rq9 s LEU 128 N -2.48 1.34 -0.27 -0.37 0.20 -0.91 0.19 118.68 116.38 2rq9 s LEU 128 Ca 0.06 -0.64 -0.29 0.00 0.69 0.00 0.00 54.13 53.95 2rq9 s LEU 128 Cb -0.03 -0.74 -0.00 0.00 -0.43 0.00 0.00 46.19 44.99 2rq9 s LEU 128 CO 0.01 -0.23 1.33 -2.16 -0.29 0.00 0.00 176.35 175.01 2rq9 s PRO 129 N 1.75 3.95 0.03 0.98 0.04 -1.23 -0.95 135.00 139.58 2rq9 s PRO 129 Ca 0.01 1.35 -0.14 0.00 0.04 0.00 0.00 61.00 62.26 2rq9 s PRO 129 Cb -0.16 -3.88 -0.06 0.00 0.04 0.00 0.00 34.50 30.44 2rq9 s PRO 129 CO -0.07 -1.08 0.43 -0.51 0.04 0.00 0.00 177.00 175.80 2rq9 s LEU 130 N 4.35 4.44 -0.42 -3.56 2.01 0.15 -4.80 118.68 120.84 2rq9 s LEU 130 Ca 0.58 0.96 -0.29 0.00 0.01 0.00 0.00 54.13 55.39 2rq9 s LEU 130 Cb -0.18 -2.75 0.01 0.00 0.01 0.00 0.00 46.19 43.28 2rq9 s LEU 130 CO 0.23 0.27 1.42 -2.16 1.01 0.00 0.00 176.35 177.11 2rq9 s PRO 131 N -1.33 3.55 0.00 1.29 0.04 -1.26 -2.09 135.00 135.21 2rq9 s PRO 131 Ca 0.27 0.91 0.07 0.00 0.04 0.00 0.00 61.00 62.29 2rq9 s PRO 131 Cb -0.16 -4.03 -0.03 0.00 0.04 0.00 0.00 34.50 30.32 2rq9 s PRO 131 CO 0.15 -1.60 -0.23 0.54 0.04 0.00 0.00 177.00 175.91 2rq9 s VAL 132 N 5.50 2.39 0.44 -0.36 0.11 -1.20 -5.01 120.40 122.28 2rq9 s VAL 132 Ca 0.61 -1.13 0.00 0.00 -2.93 0.00 0.00 61.98 58.53 2rq9 s VAL 132 Cb -0.13 -1.91 0.00 0.00 -1.53 0.00 0.00 36.38 32.80 2rq9 s VAL 132 CO 0.32 0.48 0.00 -0.24 -3.33 0.00 0.00 175.10 172.33 2rq9 n SER 133 N 2.07 -8.55 -1.19 3.54 2.88 -1.26 -4.05 113.62 107.07 2rq9 n SER 133 Ca -0.16 1.21 0.16 0.00 -1.33 0.00 0.00 58.87 58.75 2rq9 n SER 133 Cb 0.52 -4.57 -0.05 0.00 -0.75 0.00 0.00 64.21 59.36 2rq9 n SER 133 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2rq9 n SER 134 N -0.34 -7.11 -0.00 -3.46 2.88 -1.26 -4.82 113.62 99.51 2rq9 n SER 134 Ca 0.00 0.66 -0.01 0.00 -1.33 0.00 0.00 58.87 58.19 2rq9 n SER 134 Cb 0.00 -3.72 -0.00 0.00 -0.75 0.00 0.00 64.21 59.73 2rq9 n SER 134 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2rq9 n ASP 135 N -3.83 0.15 -0.34 -3.46 -0.08 -1.26 -5.09 116.55 102.64 2rq9 n ASP 135 Ca -0.01 0.02 0.01 0.00 -1.51 0.00 0.00 54.79 53.30 2rq9 n ASP 135 Cb 0.55 -0.06 -0.00 0.00 2.34 0.00 0.00 41.12 43.95 2rq9 n ASP 135 CO 0.00 0.00 0.00 -0.11 0.12 0.00 0.00 177.20 177.21 2rq9 n LEU 136 N -3.09 0.00 0.00 -2.67 7.94 -1.26 -4.96 117.00 112.96 2rq9 n LEU 136 Ca -0.03 0.06 0.00 0.00 -1.11 0.00 0.00 56.01 54.94 2rq9 n LEU 136 Cb 0.49 -0.21 0.00 0.00 0.53 0.00 0.00 43.42 44.23 2rq9 n LEU 136 CO 0.00 -0.53 0.00 -0.62 -1.11 0.00 0.00 177.39 175.13 2rq9 n GLU 137 N -0.77 0.00 -1.81 1.96 1.02 -1.26 -5.13 120.64 114.65 2rq9 n GLU 137 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2rq9 n GLU 137 Cb 0.03 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.45 2rq9 n GLU 137 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 2rq9 n HIS 138 N 0.00 -4.57 0.00 -0.32 -0.00 -1.26 -5.07 115.22 104.00 2rq9 n HIS 138 Ca 0.00 2.49 0.00 0.00 -0.00 0.00 0.00 57.72 60.21 2rq9 n HIS 138 Cb 0.00 -3.57 0.00 0.00 -0.00 0.00 0.00 29.99 26.42 2rq9 n HIS 138 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2rq9 n HIS 139 N 0.85 -0.08 -2.88 1.57 8.25 -1.26 -5.12 115.22 116.55 2rq9 n HIS 139 Ca 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.44 2rq9 n HIS 139 Cb 0.00 0.12 -0.02 0.00 1.12 0.00 0.00 29.99 31.22 2rq9 n HIS 139 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2rq9 n HIS 140 N -1.37 -2.16 -0.70 4.41 -0.00 -1.26 -4.91 115.22 109.22 2rq9 n HIS 140 Ca 0.00 1.18 -0.29 0.00 -0.00 0.00 0.00 57.72 58.62 2rq9 n HIS 140 Cb 0.00 -2.46 0.23 0.00 -0.00 0.00 0.00 29.99 27.76 2rq9 n HIS 140 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2rq9 s HIS 141 N -0.60 1.55 -0.13 1.57 3.76 -1.26 -4.87 115.29 115.31 2rq9 s HIS 141 Ca -0.11 1.21 -0.29 0.00 -0.15 0.00 0.00 55.06 55.72 2rq9 s HIS 141 Cb 0.01 -3.15 -0.04 0.00 1.11 0.00 0.00 32.58 30.50 2rq9 s HIS 141 CO 0.39 -3.54 1.71 -1.58 -0.85 0.00 0.00 174.74 170.87 2rq9 s HIS 142 N -2.59 1.91 0.00 1.40 2.46 -1.26 -5.33 115.29 111.88 2rq9 s HIS 142 Ca 0.67 0.32 0.00 0.00 0.47 0.00 0.00 55.06 56.53 2rq9 s HIS 142 Cb -0.23 -3.97 0.00 0.00 -0.13 0.00 0.00 32.58 28.25 2rq9 s HIS 142 CO 0.62 -3.61 0.00 -2.39 -2.47 0.00 0.00 174.74 166.89