#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rq9 n ASN 2 N 0.00 -6.96 -0.06 6.12 2.85 -1.26 -4.99 115.26 110.96 2rq9 n ASN 2 Ca 0.00 0.99 -0.13 0.00 -0.11 0.00 0.00 54.58 55.34 2rq9 n ASN 2 Cb 0.00 -3.62 -0.04 0.00 1.24 0.00 0.00 39.78 37.36 2rq9 n ASN 2 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2rq9 n TYR 3 N 1.10 0.00 -3.49 1.20 9.36 -1.26 -5.06 117.16 119.01 2rq9 n TYR 3 Ca -0.03 0.00 -0.29 0.00 3.32 0.00 0.00 57.90 60.91 2rq9 n TYR 3 Cb 0.24 -0.42 0.02 0.00 -0.63 0.00 0.00 39.34 38.56 2rq9 n TYR 3 CO 0.00 0.00 0.00 1.17 0.22 0.00 0.00 176.86 178.25 2rq9 n LYS 4 N -3.55 -1.84 -2.71 2.98 3.00 -1.26 -4.97 118.16 109.82 2rq9 n LYS 4 Ca -0.23 1.32 -0.04 0.00 -0.00 0.00 0.00 58.31 59.36 2rq9 n LYS 4 Cb 0.65 -2.78 0.03 0.00 0.00 0.00 0.00 35.03 32.93 2rq9 n LYS 4 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 2rq9 n LYS 5 N -1.02 0.33 -1.56 1.64 4.81 -1.26 -4.89 118.16 116.21 2rq9 n LYS 5 Ca -0.13 -1.32 -0.30 0.00 -0.87 0.00 0.00 58.31 55.69 2rq9 n LYS 5 Cb 0.65 -0.64 0.08 0.00 0.02 0.00 0.00 35.03 35.14 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 0.82 2.26 0.14 1.64 0.04 -1.26 -4.72 135.00 133.93 2rq9 s PRO 6 Ca 0.27 0.71 0.02 0.00 0.04 0.00 0.00 61.00 62.04 2rq9 s PRO 6 Cb 0.10 -1.93 -0.04 0.00 0.04 0.00 0.00 34.50 32.66 2rq9 s PRO 6 CO -0.10 -1.51 -0.03 0.15 0.04 0.00 0.00 177.00 175.55 2rq9 s LYS 7 N -5.13 0.99 0.03 4.56 3.01 0.24 -3.24 119.74 120.20 2rq9 s LYS 7 Ca 0.60 -1.45 0.08 0.00 -1.01 0.00 0.00 55.97 54.19 2rq9 s LYS 7 Cb -0.14 -0.25 -0.03 0.00 -1.01 0.00 0.00 37.83 36.40 2rq9 s LYS 7 CO 0.54 -0.08 -0.22 -0.51 0.51 0.00 0.00 175.35 175.59 2rq9 s LEU 8 N -3.12 2.36 -0.15 3.17 1.43 -0.72 -2.85 118.68 118.80 2rq9 s LEU 8 Ca 0.19 -0.49 -0.18 0.00 -1.03 0.00 0.00 54.13 52.62 2rq9 s LEU 8 Cb 0.06 -1.40 -0.04 0.00 0.03 0.00 0.00 46.19 44.84 2rq9 s LEU 8 CO 0.00 0.27 0.48 -0.76 0.23 0.00 0.00 176.35 176.57 2rq9 s LEU 9 N -1.21 4.22 -0.26 1.79 1.02 -1.26 -0.34 118.68 122.63 2rq9 s LEU 9 Ca 0.13 0.73 -0.08 0.00 0.02 0.00 0.00 54.13 54.92 2rq9 s LEU 9 Cb -0.10 -2.67 -0.03 0.00 0.02 0.00 0.00 46.19 43.41 2rq9 s LEU 9 CO 0.03 -0.06 0.11 -0.47 0.02 0.00 0.00 176.35 175.98 2rq9 s TYR 10 N 0.99 3.13 -1.15 0.29 5.04 -0.86 -3.64 117.35 121.16 2rq9 s TYR 10 Ca 0.24 -0.35 -0.09 0.00 -2.44 0.00 0.00 57.07 54.44 2rq9 s TYR 10 Cb -0.15 -2.28 0.25 0.00 0.35 0.00 0.00 41.96 40.13 2rq9 s TYR 10 CO 0.10 -0.34 1.33 0.00 -1.34 0.00 0.00 175.55 175.29 2rq9 n SER 12 N 3.13 0.06 -0.10 0.00 3.41 -1.26 0.21 113.62 119.07 2rq9 n SER 12 Ca 0.28 1.00 -0.03 0.00 -0.26 0.00 0.00 58.87 59.86 2rq9 n SER 12 Cb 0.38 -0.50 -0.03 0.00 -0.26 0.00 0.00 64.21 63.81 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 -0.55 0.00 4.04 -1.24 -1.32 -3.30 115.58 113.20 2rq9 h ASN 13 Ca 0.83 0.08 -0.00 0.00 0.71 0.00 0.00 56.30 57.92 2rq9 h ASN 13 Cb 3.13 0.24 -0.00 0.00 0.73 0.00 0.00 38.32 42.42 2rq9 h ASN 13 CO -0.14 -0.06 -1.20 0.61 -1.29 0.00 0.00 177.43 175.35 2rq9 n GLY 14 N -1.07 -0.20 1.07 1.57 0.00 0.23 -4.94 105.19 101.86 2rq9 n GLY 14 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 2.26 -2.05 3.76 -0.02 0.00 0.57 -5.04 105.19 104.67 2rq9 n GLY 15 Ca -0.01 -0.46 -0.10 0.00 0.00 0.00 0.00 46.02 45.46 2rq9 n GLY 15 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2rq9 s HIS 16 N 0.00 0.25 0.01 1.61 3.76 -1.26 -4.51 115.29 115.14 2rq9 s HIS 16 Ca 0.00 -0.84 0.05 0.00 -0.15 0.00 0.00 55.06 54.12 2rq9 s HIS 16 Cb 0.00 0.69 -0.02 0.00 1.11 0.00 0.00 32.58 34.36 2rq9 s HIS 16 CO 0.00 -1.48 -0.17 -0.06 -0.85 0.00 0.00 174.74 172.18 2rq9 s PHE 17 N -2.53 1.50 -0.37 1.40 0.08 -1.25 -2.95 117.98 113.87 2rq9 s PHE 17 Ca 0.17 -0.31 -0.29 0.00 0.12 0.00 0.00 56.93 56.62 2rq9 s PHE 17 Cb -0.04 -0.94 0.02 0.00 -0.57 0.00 0.00 43.02 41.48 2rq9 s PHE 17 CO 0.12 0.01 1.14 -1.17 -0.10 0.00 0.00 175.22 175.23 2rq9 s LEU 18 N -0.67 3.82 0.15 -0.37 2.96 -1.24 -3.02 118.68 120.31 2rq9 s LEU 18 Ca 0.06 0.89 0.10 0.00 -0.22 0.00 0.00 54.13 54.96 2rq9 s LEU 18 Cb -0.07 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 43.03 2rq9 s LEU 18 CO 0.00 -1.05 -0.22 0.00 -1.32 0.00 0.00 176.35 173.76 2rq9 s ARG 19 N 4.03 1.59 -0.26 1.98 1.70 -1.25 -4.63 118.95 122.11 2rq9 s ARG 19 Ca 0.49 -1.35 0.02 0.00 -0.47 0.00 0.00 55.73 54.41 2rq9 s ARG 19 Cb -0.11 -1.96 0.07 0.00 -0.57 0.00 0.00 34.95 32.37 2rq9 s ARG 19 CO 0.22 0.44 -0.06 0.42 -1.08 0.00 0.00 175.30 175.24 2rq9 s ILE 20 N -1.32 1.91 0.52 4.99 1.01 -0.86 -3.86 121.20 123.58 2rq9 s ILE 20 Ca 0.18 -1.58 -0.11 0.00 0.00 0.00 0.00 60.65 59.14 2rq9 s ILE 20 Cb -0.09 -2.14 -0.05 0.00 0.01 0.00 0.00 42.46 40.18 2rq9 s ILE 20 CO 0.09 -0.16 0.91 -0.76 0.00 0.00 0.00 174.94 175.02 2rq9 s LEU 21 N 1.20 3.55 0.00 2.97 1.43 -0.59 -4.72 118.68 122.52 2rq9 s LEU 21 Ca -0.04 1.28 0.24 0.00 -1.03 0.00 0.00 54.13 54.58 2rq9 s LEU 21 Cb -0.19 -4.25 1.40 0.00 0.03 0.00 0.00 46.19 43.18 2rq9 s LEU 21 CO -0.07 -0.63 1.79 -0.81 0.23 0.00 0.00 176.35 176.86 2rq9 n PRO 22 N -2.04 0.70 0.00 1.29 -0.04 -1.26 -1.89 135.00 131.77 2rq9 n PRO 22 Ca 0.04 0.01 0.11 0.00 -0.04 0.00 0.00 63.50 63.62 2rq9 n PRO 22 Cb 0.54 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.51 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 -1.03 1.12 -0.50 3.54 8.00 -1.26 -4.97 116.55 121.45 2rq9 n ASP 23 Ca 0.17 -0.96 0.00 0.00 0.71 0.00 0.00 54.79 54.71 2rq9 n ASP 23 Cb 0.09 0.70 0.00 0.00 -0.02 0.00 0.00 41.12 41.89 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 1.47 0.57 3.12 0.44 0.00 -0.79 -5.03 105.19 104.97 2rq9 n GLY 24 Ca 0.06 -0.29 -0.26 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.20 1.42 -0.24 2.61 2.01 -1.25 -4.56 115.64 113.42 2rq9 s THR 25 Ca 0.00 -0.70 -0.02 0.00 0.31 0.00 0.00 61.69 61.28 2rq9 s THR 25 Cb 0.00 -1.23 0.08 0.00 0.01 0.00 0.00 72.50 71.36 2rq9 s THR 25 CO 0.00 0.41 0.05 -0.69 -0.69 0.00 0.00 174.62 173.70 2rq9 s VAL 26 N 0.12 0.74 0.14 3.82 1.01 -1.25 -1.54 120.40 123.43 2rq9 s VAL 26 Ca -0.06 -0.94 -0.12 0.00 0.00 0.00 0.00 61.98 60.86 2rq9 s VAL 26 Cb -0.12 -1.34 0.01 0.00 0.00 0.00 0.00 36.38 34.93 2rq9 s VAL 26 CO 0.03 -0.39 0.33 -1.81 0.00 0.00 0.00 175.10 173.26 2rq9 s ASP 27 N 1.73 -0.06 0.09 3.32 1.01 -1.25 -4.46 116.67 117.05 2rq9 s ASP 27 Ca 0.03 -0.59 -0.31 0.00 0.71 0.00 0.00 52.55 52.39 2rq9 s ASP 27 Cb -0.17 0.44 -0.07 0.00 1.01 0.00 0.00 42.92 44.13 2rq9 s ASP 27 CO -0.15 -0.86 1.26 -0.83 0.21 0.00 0.00 175.17 174.80 2rq9 s GLY 28 N -2.88 2.31 0.00 0.21 0.00 -1.21 -3.77 107.32 101.98 2rq9 s GLY 28 Ca 0.08 0.94 0.00 0.00 0.00 0.00 0.00 44.72 45.75 2rq9 s GLY 28 CO -0.07 2.11 0.23 -0.37 0.00 0.00 0.00 173.10 175.00 2rq9 n THR 29 N 3.75 0.00 -3.25 0.90 5.66 -1.17 -4.71 114.28 115.47 2rq9 n THR 29 Ca 0.09 -0.50 -0.24 0.00 -3.05 0.00 0.00 64.05 60.35 2rq9 n THR 29 Cb 0.45 1.00 -0.05 0.00 -1.55 0.00 0.00 70.33 70.18 2rq9 n THR 29 CO 0.00 0.00 0.00 -1.14 -3.05 0.00 0.00 175.07 170.88 2rq9 n ARG 30 N -0.54 -0.84 -3.78 1.09 0.63 -1.26 -4.82 116.66 107.15 2rq9 n ARG 30 Ca 0.00 0.08 -0.28 0.00 -0.92 0.00 0.00 57.85 56.73 2rq9 n ARG 30 Cb 0.00 -2.66 -0.16 0.00 0.45 0.00 0.00 32.46 30.08 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 -2.34 3.14 0.48 6.15 -1.08 -1.26 -4.92 116.67 116.84 2rq9 s ASP 31 Ca 0.46 -0.92 0.27 0.00 -0.52 0.00 0.00 52.55 51.84 2rq9 s ASP 31 Cb -0.27 -0.72 1.12 0.00 -1.46 0.00 0.00 42.92 41.59 2rq9 s ASP 31 CO 0.59 -0.29 1.90 0.03 0.52 0.00 0.00 175.17 177.92 2rq9 h ARG 32 N 8.18 0.00 -0.71 4.34 3.08 -2.02 -2.94 114.38 124.31 2rq9 h ARG 32 Ca -0.16 0.00 0.08 0.00 0.07 0.00 0.00 59.98 59.96 2rq9 h ARG 32 Cb 1.11 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 31.09 2rq9 h ARG 32 CO 0.36 0.15 0.39 1.03 -1.07 0.00 0.00 179.97 180.82 2rq9 h SER 33 N 0.00 0.55 -2.53 7.04 0.87 -1.97 -3.42 113.55 114.08 2rq9 h SER 33 Ca -0.00 0.04 -0.60 0.00 -1.23 0.00 0.00 61.79 60.00 2rq9 h SER 33 Cb 0.63 -0.06 0.14 0.00 -0.44 0.00 0.00 62.40 62.66 2rq9 h SER 33 CO 0.02 0.34 -0.18 -0.67 -0.53 0.00 0.00 176.83 175.81 2rq9 n ASP 34 N -4.80 -0.03 -0.60 6.23 2.03 -1.11 -4.88 116.55 113.39 2rq9 n ASP 34 Ca 0.10 0.98 0.07 0.00 0.52 0.00 0.00 54.79 56.46 2rq9 n ASP 34 Cb 0.22 -1.20 0.07 0.00 -0.72 0.00 0.00 41.12 39.49 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 0.45 1.17 -0.02 -0.67 10.64 -1.26 -4.24 117.38 123.45 2rq9 n GLN 35 Ca 0.11 -1.44 0.12 0.00 -1.83 0.00 0.00 57.00 53.96 2rq9 n GLN 35 Cb 0.38 -1.28 0.11 0.00 -0.86 0.00 0.00 30.24 28.59 2rq9 n GLN 35 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.06 175.95 2rq9 n HIS 36 N 0.81 0.04 0.04 2.61 8.25 -1.26 -4.12 115.22 121.59 2rq9 n HIS 36 Ca 0.09 -0.02 -0.14 0.00 -0.26 0.00 0.00 57.72 57.39 2rq9 n HIS 36 Cb 0.37 0.00 -0.14 0.00 1.12 0.00 0.00 29.99 31.34 2rq9 n HIS 36 CO 0.00 0.00 0.00 -0.84 0.64 0.00 0.00 176.34 176.14 2rq9 h ILE 37 N 4.67 1.11 -0.51 1.59 3.07 -1.82 -2.28 117.51 123.34 2rq9 h ILE 37 Ca 0.00 -2.81 -0.21 0.00 1.55 0.00 0.00 64.86 63.39 2rq9 h ILE 37 Cb 0.99 2.68 -0.03 0.00 -0.27 0.00 0.00 36.82 40.20 2rq9 h ILE 37 CO 0.00 0.78 0.90 0.00 -1.05 0.00 0.00 178.15 178.78 2rq9 n GLN 38 N -3.36 0.50 -3.81 0.16 6.02 -1.26 -4.67 117.38 110.95 2rq9 n GLN 38 Ca -0.16 -0.44 -0.33 0.00 -0.01 0.00 0.00 57.00 56.06 2rq9 n GLN 38 Cb 1.03 -2.93 -0.05 0.00 1.02 0.00 0.00 30.24 29.32 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 10.89 4.35 -0.30 1.08 1.43 -1.13 -3.93 118.68 131.07 2rq9 s LEU 39 Ca 1.05 0.46 -0.09 0.00 -1.03 0.00 0.00 54.13 54.53 2rq9 s LEU 39 Cb -0.38 -2.79 -0.00 0.00 0.03 0.00 0.00 46.19 43.05 2rq9 s LEU 39 CO 0.25 0.21 0.13 -1.10 0.23 0.00 0.00 176.35 176.07 2rq9 s GLN 40 N -2.05 3.26 -0.06 1.70 -1.52 -0.61 0.82 119.66 121.20 2rq9 s GLN 40 Ca 0.30 -0.76 -0.15 0.00 -1.95 0.00 0.00 55.36 52.80 2rq9 s GLN 40 Cb -0.13 -3.49 -0.05 0.00 -0.22 0.00 0.00 33.01 29.12 2rq9 s GLN 40 CO 0.20 -0.42 0.41 -0.51 -0.25 0.00 0.00 175.29 174.72 2rq9 s LEU 41 N 1.58 4.39 0.19 2.90 1.02 -1.26 -1.81 118.68 125.69 2rq9 s LEU 41 Ca 0.04 0.85 0.04 0.00 0.02 0.00 0.00 54.13 55.08 2rq9 s LEU 41 Cb -0.17 -2.58 -0.05 0.00 0.02 0.00 0.00 46.19 43.42 2rq9 s LEU 41 CO 0.05 0.21 -0.04 -0.55 0.02 0.00 0.00 176.35 176.04 2rq9 s SER 42 N -0.41 1.74 -0.11 2.29 0.15 0.37 -4.91 113.70 112.81 2rq9 s SER 42 Ca 0.23 -1.13 0.03 0.00 0.70 0.00 0.00 55.95 55.77 2rq9 s SER 42 Cb -0.16 0.02 0.01 0.00 -1.71 0.00 0.00 66.02 64.18 2rq9 s SER 42 CO 0.11 -0.45 -0.19 0.00 1.20 0.00 0.00 173.24 173.91 2rq9 s ALA 43 N -3.41 1.94 -0.08 5.45 0.00 -1.26 0.18 121.76 124.57 2rq9 s ALA 43 Ca 0.23 -0.86 -0.02 0.00 0.00 0.00 0.00 51.96 51.31 2rq9 s ALA 43 Cb 0.04 -0.84 -0.04 0.00 0.00 0.00 0.00 23.12 22.28 2rq9 s ALA 43 CO 0.05 0.07 -0.09 -1.91 0.00 0.00 0.00 175.76 173.88 2rq9 n GLU 44 N 3.92 0.19 -4.42 0.00 2.13 -1.24 -4.97 120.64 116.25 2rq9 n GLU 44 Ca -0.20 0.06 -0.21 0.00 0.66 0.00 0.00 57.16 57.48 2rq9 n GLU 44 Cb 0.52 -0.98 -0.10 0.00 0.27 0.00 0.00 31.44 31.15 2rq9 n GLU 44 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 2rq9 s SER 45 N -5.26 2.51 -0.22 4.31 1.04 -1.26 -5.05 113.70 109.78 2rq9 s SER 45 Ca -0.11 -1.24 -0.29 0.00 0.48 0.00 0.00 55.95 54.79 2rq9 s SER 45 Cb 0.04 -0.12 -0.03 0.00 0.10 0.00 0.00 66.02 66.01 2rq9 s SER 45 CO 0.16 -0.44 1.67 -0.69 0.98 0.00 0.00 173.24 174.93 2rq9 s VAL 46 N -3.15 3.62 0.00 5.02 1.01 -1.26 -1.20 120.40 124.44 2rq9 s VAL 46 Ca 0.31 0.69 0.00 0.00 0.00 0.00 0.00 61.98 62.98 2rq9 s VAL 46 Cb 0.05 -3.65 0.00 0.00 0.00 0.00 0.00 36.38 32.78 2rq9 s VAL 46 CO 0.12 -0.29 0.00 0.61 0.00 0.00 0.00 175.10 175.55 2rq9 n GLY 47 N 4.78 0.75 3.32 4.51 0.00 -1.26 -5.05 105.19 112.24 2rq9 n GLY 47 Ca 0.20 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.51 1.94 0.04 1.61 2.02 -0.34 -1.07 118.70 122.39 2rq9 s GLU 48 Ca 0.00 -1.01 0.01 0.00 0.02 0.00 0.00 54.97 53.98 2rq9 s GLU 48 Cb 0.00 -1.99 -0.02 0.00 0.10 0.00 0.00 34.13 32.21 2rq9 s GLU 48 CO 0.00 0.53 -0.05 0.14 0.02 0.00 0.00 175.26 175.90 2rq9 s VAL 49 N -0.71 0.34 -0.08 2.63 -7.23 0.07 -3.61 120.40 111.82 2rq9 s VAL 49 Ca 0.11 -1.11 0.04 0.00 -1.81 0.00 0.00 61.98 59.21 2rq9 s VAL 49 Cb -0.10 -0.59 -0.01 0.00 0.56 0.00 0.00 36.38 36.24 2rq9 s VAL 49 CO 0.01 -0.51 -0.22 -0.31 -0.31 0.00 0.00 175.10 173.75 2rq9 s TYR 50 N -1.75 2.54 -0.22 2.82 2.02 0.48 -2.15 117.35 121.10 2rq9 s TYR 50 Ca -0.10 -0.78 -0.00 0.00 -0.37 0.00 0.00 57.07 55.82 2rq9 s TYR 50 Cb -0.08 -1.67 0.02 0.00 -0.40 0.00 0.00 41.96 39.84 2rq9 s TYR 50 CO -0.01 -0.26 -0.13 0.42 -1.57 0.00 0.00 175.55 174.00 2rq9 s ILE 51 N 0.03 2.47 0.12 2.71 1.01 -1.26 0.14 121.20 126.42 2rq9 s ILE 51 Ca -0.09 -1.01 0.07 0.00 0.00 0.00 0.00 60.65 59.63 2rq9 s ILE 51 Cb -0.15 -2.18 -0.04 0.00 0.01 0.00 0.00 42.46 40.10 2rq9 s ILE 51 CO 0.05 0.35 -0.17 -0.54 0.00 0.00 0.00 174.94 174.63 2rq9 s LYS 52 N 1.30 1.09 0.15 2.79 1.02 -0.75 -1.19 119.74 124.14 2rq9 s LYS 52 Ca 0.02 -1.22 -0.28 0.00 0.02 0.00 0.00 55.97 54.50 2rq9 s LYS 52 Cb -0.15 -1.14 -0.07 0.00 -0.52 0.00 0.00 37.83 35.95 2rq9 s LYS 52 CO -0.08 0.24 0.89 0.45 -0.92 0.00 0.00 175.35 175.93 2rq9 s SER 53 N -2.25 7.47 0.00 2.83 0.15 0.95 -1.58 113.70 121.27 2rq9 s SER 53 Ca 0.08 1.75 0.22 0.00 0.70 0.00 0.00 55.95 58.71 2rq9 s SER 53 Cb -0.07 -2.56 0.38 0.00 -1.71 0.00 0.00 66.02 62.05 2rq9 s SER 53 CO 0.04 0.06 1.35 0.35 1.20 0.00 0.00 173.24 176.24 2rq9 n THR 54 N 2.22 0.45 0.00 6.45 -2.24 -1.25 -4.30 114.28 115.61 2rq9 n THR 54 Ca -0.01 -0.73 0.00 0.00 -2.27 0.00 0.00 64.05 61.04 2rq9 n THR 54 Cb 0.49 1.03 0.00 0.00 -2.10 0.00 0.00 70.33 69.75 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 1.39 0.00 0.00 -0.78 4.07 -1.26 -4.94 120.64 119.12 2rq9 n GLU 55 Ca 0.18 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.28 2rq9 n GLU 55 Cb 0.58 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.96 2rq9 n GLU 55 CO 0.00 0.00 0.00 0.25 -0.06 0.00 0.00 177.13 177.32 2rq9 n THR 56 N -1.13 0.00 0.00 6.31 -2.24 -1.26 -4.98 114.28 110.97 2rq9 n THR 56 Ca 0.00 1.13 0.00 0.00 -2.27 0.00 0.00 64.05 62.91 2rq9 n THR 56 Cb 0.00 -2.11 0.00 0.00 -2.10 0.00 0.00 70.33 66.12 2rq9 n THR 56 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2rq9 n GLY 57 N -0.65 0.00 3.29 3.38 0.00 -1.26 -5.10 105.19 104.86 2rq9 n GLY 57 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 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 1.18 -0.04 1.61 -0.21 -1.26 -4.80 119.66 116.15 2rq9 s GLN 58 Ca 0.00 -1.52 -0.02 0.00 0.02 0.00 0.00 55.36 53.85 2rq9 s GLN 58 Cb 0.00 -0.85 -0.04 0.00 1.00 0.00 0.00 33.01 33.13 2rq9 s GLN 58 CO 0.00 0.12 0.06 0.71 -2.12 0.00 0.00 175.29 174.07 2rq9 s TYR 59 N -3.17 3.29 -0.43 0.91 2.02 0.20 -0.04 117.35 120.13 2rq9 s TYR 59 Ca 0.19 0.24 -0.29 0.00 -0.37 0.00 0.00 57.07 56.85 2rq9 s TYR 59 Cb 0.01 -1.78 0.02 0.00 -0.40 0.00 0.00 41.96 39.81 2rq9 s TYR 59 CO 0.03 0.55 1.28 -1.17 -1.57 0.00 0.00 175.55 174.68 2rq9 s LEU 60 N -1.41 3.63 0.03 -1.29 2.96 -0.33 0.13 118.68 122.41 2rq9 s LEU 60 Ca 0.19 0.69 -0.01 0.00 -0.22 0.00 0.00 54.13 54.78 2rq9 s LEU 60 Cb -0.12 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 43.00 2rq9 s LEU 60 CO 0.09 -1.33 -0.01 0.00 -1.32 0.00 0.00 176.35 173.79 2rq9 s ALA 61 N 4.91 0.22 -0.17 5.97 0.00 -0.93 -4.36 121.76 127.41 2rq9 s ALA 61 Ca 0.55 -0.79 -0.06 0.00 0.00 0.00 0.00 51.96 51.65 2rq9 s ALA 61 Cb -0.11 0.21 -0.04 0.00 0.00 0.00 0.00 23.12 23.18 2rq9 s ALA 61 CO 0.31 -0.26 0.04 1.41 0.00 0.00 0.00 175.76 177.27 2rq9 s MET 62 N -2.52 3.84 0.00 0.00 1.75 -1.26 -0.11 119.30 121.00 2rq9 s MET 62 Ca -0.06 -0.37 0.00 0.00 -1.25 0.00 0.00 55.69 54.01 2rq9 s MET 62 Cb -0.02 -3.13 0.00 0.00 2.84 0.00 0.00 34.83 34.52 2rq9 s MET 62 CO -0.05 0.32 0.00 -0.25 -0.65 0.00 0.00 175.02 174.39 2rq9 n ASP 63 N 3.36 0.00 -0.13 1.11 8.00 -0.25 -4.94 116.55 123.70 2rq9 n ASP 63 Ca -0.17 -0.84 0.15 0.00 0.71 0.00 0.00 54.79 54.64 2rq9 n ASP 63 Cb 0.52 0.00 0.79 0.00 -0.02 0.00 0.00 41.12 42.42 2rq9 n ASP 63 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 2rq9 n THR 64 N -1.58 0.00 1.16 -3.53 -2.24 -1.26 -2.84 114.28 103.99 2rq9 n THR 64 Ca 0.00 -0.07 0.12 0.00 -2.27 0.00 0.00 64.05 61.84 2rq9 n THR 64 Cb 0.00 -0.21 0.29 0.00 -2.10 0.00 0.00 70.33 68.31 2rq9 n THR 64 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2rq9 n ASP 65 N -0.74 1.05 0.00 3.42 9.92 -1.26 -4.91 116.55 124.03 2rq9 n ASP 65 Ca 0.21 -0.86 0.00 0.00 -0.53 0.00 0.00 54.79 53.61 2rq9 n ASP 65 Cb 0.20 0.23 0.00 0.00 -0.64 0.00 0.00 41.12 40.91 2rq9 n ASP 65 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2rq9 n GLY 66 N 1.38 0.65 3.97 0.44 0.00 -1.13 -4.66 105.19 105.84 2rq9 n GLY 66 Ca 0.10 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.94 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 3.69 -0.08 0.99 2.01 -1.26 0.61 118.68 124.63 2rq9 s LEU 67 Ca 0.00 -0.42 -0.02 0.00 0.01 0.00 0.00 54.13 53.70 2rq9 s LEU 67 Cb 0.00 -2.55 -0.03 0.00 0.01 0.00 0.00 46.19 43.62 2rq9 s LEU 67 CO 0.00 -0.63 0.02 -0.76 1.01 0.00 0.00 176.35 175.99 2rq9 s LEU 68 N -4.24 3.66 0.04 1.79 1.43 -1.26 -1.09 118.68 119.00 2rq9 s LEU 68 Ca 0.50 0.16 -0.09 0.00 -1.03 0.00 0.00 54.13 53.67 2rq9 s LEU 68 Cb -0.08 -1.88 0.00 0.00 0.03 0.00 0.00 46.19 44.26 2rq9 s LEU 68 CO 0.31 0.37 0.18 -0.72 0.23 0.00 0.00 176.35 176.72 2rq9 s TYR 69 N -0.93 0.07 -0.39 0.29 -0.85 0.84 -3.82 117.35 112.56 2rq9 s TYR 69 Ca 0.14 -0.29 -0.29 0.00 -0.52 0.00 0.00 57.07 56.12 2rq9 s TYR 69 Cb -0.11 -0.04 0.01 0.00 0.38 0.00 0.00 41.96 42.19 2rq9 s TYR 69 CO 0.04 -0.41 1.37 0.20 -1.52 0.00 0.00 175.55 175.22 2rq9 s GLY 70 N -2.02 1.17 -0.03 5.49 0.00 -1.25 -2.18 107.32 108.50 2rq9 s GLY 70 Ca -0.06 -0.13 -0.24 0.00 0.00 0.00 0.00 44.72 44.29 2rq9 s GLY 70 CO -0.03 2.70 0.72 -0.56 0.00 0.00 0.00 173.10 175.93 2rq9 s SER 71 N 3.58 7.06 -0.05 1.64 0.01 0.36 -4.65 113.70 121.65 2rq9 s SER 71 Ca 0.59 1.28 -0.24 0.00 1.31 0.00 0.00 55.95 58.88 2rq9 s SER 71 Cb -0.14 -2.43 -0.19 0.00 0.21 0.00 0.00 66.02 63.47 2rq9 s SER 71 CO 0.31 -0.06 1.03 -0.61 0.41 0.00 0.00 173.24 174.32 2rq9 h GLN 72 N 6.33 -0.09 -6.16 12.44 4.15 -1.87 0.58 115.11 130.48 2rq9 h GLN 72 Ca -0.42 0.01 -0.51 0.00 0.77 0.00 0.00 58.65 58.49 2rq9 h GLN 72 Cb 1.20 0.02 -0.02 0.00 0.21 0.00 0.00 27.48 28.89 2rq9 h GLN 72 CO 0.73 0.45 -0.40 0.95 -1.93 0.00 0.00 178.83 178.63 2rq9 s THR 73 N -3.62 5.26 -0.28 2.39 -4.23 -1.26 -4.79 115.64 109.12 2rq9 s THR 73 Ca -0.15 -0.68 -0.29 0.00 -1.18 0.00 0.00 61.69 59.39 2rq9 s THR 73 Cb 0.00 -3.78 -0.00 0.00 1.34 0.00 0.00 72.50 70.06 2rq9 s THR 73 CO 0.59 -0.21 1.34 -2.16 -0.54 0.00 0.00 174.62 173.64 2rq9 s PRO 74 N -3.54 3.92 0.11 3.99 0.04 -1.26 -4.90 135.00 133.36 2rq9 s PRO 74 Ca 0.36 1.33 0.07 0.00 0.04 0.00 0.00 61.00 62.80 2rq9 s PRO 74 Cb -0.10 -3.89 -0.04 0.00 0.04 0.00 0.00 34.50 30.51 2rq9 s PRO 74 CO 0.29 -1.12 -0.18 -0.80 0.04 0.00 0.00 177.00 175.24 2rq9 s ASN 75 N 2.92 2.29 0.52 6.66 0.01 -1.26 -5.00 114.94 121.09 2rq9 s ASN 75 Ca 0.58 -0.73 0.38 0.00 -0.71 0.00 0.00 52.86 52.38 2rq9 s ASN 75 Cb -0.18 -0.11 1.55 0.00 0.41 0.00 0.00 41.25 42.91 2rq9 s ASN 75 CO 0.23 -0.03 1.73 -0.33 -1.51 0.00 0.00 177.10 177.20 2rq9 h GLU 76 N 3.85 0.04 -0.32 -0.60 5.08 -1.94 1.57 114.58 122.25 2rq9 h GLU 76 Ca -0.43 -0.00 0.03 0.00 -1.00 0.00 0.00 59.36 57.95 2rq9 h GLU 76 Cb 1.19 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.41 2rq9 h GLU 76 CO 0.44 0.03 0.22 0.93 -1.00 0.00 0.00 179.01 179.63 2rq9 h GLU 77 N 0.04 0.32 0.00 2.33 5.08 -1.94 0.50 114.58 120.91 2rq9 h GLU 77 Ca 0.68 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 59.02 2rq9 h GLU 77 Cb 2.58 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 31.75 2rq9 h GLU 77 CO -0.07 0.21 0.00 0.00 -1.00 0.00 0.00 179.01 178.15 2rq9 s LEU 79 N -5.40 4.13 0.33 0.00 2.96 0.17 -4.15 118.68 116.73 2rq9 s LEU 79 Ca 0.04 0.45 0.10 0.00 -0.22 0.00 0.00 54.13 54.50 2rq9 s LEU 79 Cb 0.09 -2.80 -0.06 0.00 0.50 0.00 0.00 46.19 43.92 2rq9 s LEU 79 CO 0.52 -0.45 -0.08 -0.36 -1.32 0.00 0.00 176.35 174.66 2rq9 s PHE 80 N 2.56 2.43 -0.20 5.38 0.40 -0.91 -0.81 117.98 126.83 2rq9 s PHE 80 Ca 0.25 -0.45 -0.07 0.00 -0.60 0.00 0.00 56.93 56.05 2rq9 s PHE 80 Cb -0.15 -1.35 -0.04 0.00 0.51 0.00 0.00 43.02 41.99 2rq9 s PHE 80 CO 0.11 0.58 0.07 -0.51 0.70 0.00 0.00 175.22 176.17 2rq9 s LEU 81 N -3.63 3.73 0.06 -0.37 1.43 0.53 -0.75 118.68 119.69 2rq9 s LEU 81 Ca 0.33 0.01 0.04 0.00 -1.03 0.00 0.00 54.13 53.47 2rq9 s LEU 81 Cb 0.01 -1.96 -0.04 0.00 0.03 0.00 0.00 46.19 44.23 2rq9 s LEU 81 CO 0.17 0.11 -0.00 -0.70 0.23 0.00 0.00 176.35 176.16 2rq9 s GLU 82 N 0.73 2.60 0.20 1.70 -6.30 -0.23 -1.63 118.70 115.78 2rq9 s GLU 82 Ca 0.04 -0.78 -0.13 0.00 -2.50 0.00 0.00 54.97 51.60 2rq9 s GLU 82 Cb -0.13 -2.57 0.01 0.00 0.00 0.00 0.00 34.13 31.43 2rq9 s GLU 82 CO 0.02 0.56 0.43 0.50 0.02 0.00 0.00 175.26 176.79 2rq9 s ARG 83 N -2.08 1.36 -0.25 4.30 3.52 -1.20 -4.72 118.95 119.88 2rq9 s ARG 83 Ca 0.24 -1.09 -0.15 0.00 -0.13 0.00 0.00 55.73 54.60 2rq9 s ARG 83 Cb -0.12 0.46 -0.04 0.00 -1.56 0.00 0.00 34.95 33.69 2rq9 s ARG 83 CO 0.16 -0.55 0.37 -1.17 -0.81 0.00 0.00 175.30 173.29 2rq9 s LEU 84 N -2.95 4.07 0.29 -0.88 1.98 -1.26 -3.07 118.68 116.86 2rq9 s LEU 84 Ca 0.16 0.33 0.09 0.00 -2.89 0.00 0.00 54.13 51.83 2rq9 s LEU 84 Cb 0.00 -2.43 -0.04 0.00 0.66 0.00 0.00 46.19 44.38 2rq9 s LEU 84 CO 0.02 -0.14 0.05 -1.61 -1.89 0.00 0.00 176.35 172.78 2rq9 s GLU 85 N 1.82 2.35 1.29 1.98 0.41 0.12 -5.02 118.70 121.64 2rq9 s GLU 85 Ca 0.16 -1.44 -0.19 0.00 -0.41 0.00 0.00 54.97 53.08 2rq9 s GLU 85 Cb -0.15 -2.18 0.32 0.00 -1.78 0.00 0.00 34.13 30.34 2rq9 s GLU 85 CO 0.09 0.29 1.00 -1.21 -0.49 0.00 0.00 175.26 174.94 2rq9 s GLU 86 N -3.73 -1.88 -0.63 1.61 2.02 -1.26 -2.41 118.70 112.41 2rq9 s GLU 86 Ca 0.33 0.29 0.00 0.00 0.02 0.00 0.00 54.97 55.61 2rq9 s GLU 86 Cb -0.05 -1.49 0.00 0.00 0.10 0.00 0.00 34.13 32.69 2rq9 s GLU 86 CO 0.21 -4.22 0.00 0.09 0.02 0.00 0.00 175.26 171.36 2rq9 n ASN 87 N -5.19 -5.34 -3.16 -0.19 3.02 -1.26 -2.70 115.26 100.44 2rq9 n ASN 87 Ca 0.09 0.15 -0.09 0.00 -0.03 0.00 0.00 54.58 54.70 2rq9 n ASN 87 Cb 0.58 -3.36 0.04 0.00 -0.61 0.00 0.00 39.78 36.43 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 -2.29 -2.64 -3.93 3.10 -0.00 -1.21 -5.04 115.22 103.21 2rq9 n HIS 88 Ca -0.06 0.96 -0.10 0.00 0.46 0.00 0.00 57.72 58.98 2rq9 n HIS 88 Cb 0.47 -4.10 -0.10 0.00 -0.12 0.00 0.00 29.99 26.13 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 -3.24 0.19 0.19 1.57 2.02 -1.01 -4.88 117.35 112.19 2rq9 s TYR 89 Ca 0.28 -0.44 0.09 0.00 -0.37 0.00 0.00 57.07 56.63 2rq9 s TYR 89 Cb -0.04 -0.14 -0.04 0.00 -0.40 0.00 0.00 41.96 41.34 2rq9 s TYR 89 CO 0.74 -0.30 -0.07 -0.80 -1.57 0.00 0.00 175.55 173.54 2rq9 s ASN 90 N -1.80 4.36 0.24 2.29 -0.87 0.52 0.15 114.94 119.84 2rq9 s ASN 90 Ca -0.10 -0.56 0.06 0.00 -1.57 0.00 0.00 52.86 50.69 2rq9 s ASN 90 Cb -0.05 -0.78 -0.05 0.00 -0.02 0.00 0.00 41.25 40.35 2rq9 s ASN 90 CO -0.02 0.09 -0.08 0.42 -2.57 0.00 0.00 177.10 174.94 2rq9 s THR 91 N -1.79 1.57 -0.04 1.60 -4.23 -1.17 0.16 115.64 111.72 2rq9 s THR 91 Ca 0.26 -2.14 -0.02 0.00 -1.18 0.00 0.00 61.69 58.61 2rq9 s THR 91 Cb -0.09 -2.29 0.03 0.00 1.34 0.00 0.00 72.50 71.49 2rq9 s THR 91 CO 0.16 -0.41 0.10 -0.31 -0.54 0.00 0.00 174.62 173.62 2rq9 s TYR 92 N -3.07 -0.09 -0.00 3.99 2.02 -1.25 -3.25 117.35 115.69 2rq9 s TYR 92 Ca 0.27 0.31 0.01 0.00 -0.37 0.00 0.00 57.07 57.29 2rq9 s TYR 92 Cb 0.03 -0.09 -0.00 0.00 -0.40 0.00 0.00 41.96 41.50 2rq9 s TYR 92 CO 0.09 -0.11 -0.03 0.42 -1.57 0.00 0.00 175.55 174.35 2rq9 s ILE 93 N 0.79 0.27 0.34 2.71 1.01 -0.64 -3.04 121.20 122.64 2rq9 s ILE 93 Ca -0.06 -0.13 -0.29 0.00 0.00 0.00 0.00 60.65 60.17 2rq9 s ILE 93 Cb -0.08 -0.24 -0.11 0.00 0.01 0.00 0.00 42.46 42.03 2rq9 s ILE 93 CO -0.03 0.08 1.48 -0.55 0.00 0.00 0.00 174.94 175.92 2rq9 s SER 94 N 0.00 6.45 -0.05 3.58 0.15 -1.23 0.20 113.70 122.80 2rq9 s SER 94 Ca 0.00 2.93 -0.25 0.00 0.70 0.00 0.00 55.95 59.33 2rq9 s SER 94 Cb -0.02 -2.65 -0.22 0.00 -1.71 0.00 0.00 66.02 61.42 2rq9 s SER 94 CO -0.00 -0.81 1.10 0.50 1.20 0.00 0.00 173.24 175.23 2rq9 h LYS 95 N 3.73 0.10 0.00 5.44 3.64 -1.16 0.93 116.57 129.25 2rq9 h LYS 95 Ca -0.49 -0.08 -0.03 0.00 -1.27 0.00 0.00 60.65 58.78 2rq9 h LYS 95 Cb 1.23 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 33.06 2rq9 h LYS 95 CO 0.70 0.76 -0.14 0.87 -2.27 0.00 0.00 179.45 179.36 2rq9 h LYS 96 N -0.53 0.00 -0.57 1.90 1.57 -1.77 -2.23 116.57 114.94 2rq9 h LYS 96 Ca -0.01 0.00 -0.42 0.00 -1.87 0.00 0.00 60.65 58.35 2rq9 h LYS 96 Cb 0.78 0.00 -0.34 0.00 0.08 0.00 0.00 32.23 32.75 2rq9 h LYS 96 CO 0.02 0.14 -0.77 0.72 -0.57 0.00 0.00 179.45 178.99 2rq9 n HIS 97 N -4.03 2.08 -0.11 -1.35 8.25 -1.17 -4.76 115.22 114.13 2rq9 n HIS 97 Ca -0.02 -2.05 -0.11 0.00 -0.26 0.00 0.00 57.72 55.28 2rq9 n HIS 97 Cb 0.22 -0.31 -0.03 0.00 1.12 0.00 0.00 29.99 30.99 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 1.94 0.45 0.00 -1.41 0.00 0.16 -1.96 119.26 118.44 2rq9 h ALA 98 Ca 0.26 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2rq9 h ALA 98 Cb 1.42 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.09 2rq9 h ALA 98 CO 0.57 0.23 0.00 0.39 0.00 0.00 0.00 179.25 180.44 2rq9 n GLU 99 N -4.50 0.09 0.00 0.00 1.02 -1.26 -1.27 120.64 114.72 2rq9 n GLU 99 Ca -0.02 0.34 0.13 0.00 -0.02 0.00 0.00 57.16 57.59 2rq9 n GLU 99 Cb 0.29 -1.68 0.51 0.00 -0.02 0.00 0.00 31.44 30.54 2rq9 n GLU 99 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2rq9 n LYS 100 N -1.85 0.02 -3.60 3.49 5.02 -0.74 -4.95 118.16 115.55 2rq9 n LYS 100 Ca 0.03 -0.00 -0.25 0.00 -2.02 0.00 0.00 58.31 56.06 2rq9 n LYS 100 Cb 0.19 -1.50 0.03 0.00 -0.02 0.00 0.00 35.03 33.73 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 -1.49 -5.66 -4.42 4.39 3.02 -0.40 -4.68 115.26 106.02 2rq9 n ASN 101 Ca 0.07 -0.85 -0.33 0.00 -0.03 0.00 0.00 54.58 53.44 2rq9 n ASN 101 Cb 0.34 -3.35 -0.14 0.00 -0.61 0.00 0.00 39.78 36.02 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 -3.29 2.84 0.10 3.10 0.51 -1.25 -4.57 118.94 116.38 2rq9 s TRP 102 Ca 0.30 -0.46 0.07 0.00 -2.12 0.00 0.00 56.10 53.90 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 0.85 -0.08 -0.13 -0.06 -0.51 0.00 0.00 176.95 177.02 2rq9 s PHE 103 N 0.11 2.66 -0.09 -1.98 0.40 -1.25 -3.58 117.98 114.24 2rq9 s PHE 103 Ca -0.05 -0.20 0.25 0.00 -0.60 0.00 0.00 56.93 56.33 2rq9 s PHE 103 Cb -0.14 -1.42 0.71 0.00 0.51 0.00 0.00 43.02 42.68 2rq9 s PHE 103 CO 0.04 0.39 1.74 0.28 0.70 0.00 0.00 175.22 178.37 2rq9 h VAL 104 N 3.45 0.31 -1.16 -0.44 2.07 -1.87 -3.40 116.25 115.21 2rq9 h VAL 104 Ca -0.49 -1.12 -0.40 0.00 0.82 0.00 0.00 66.70 65.51 2rq9 h VAL 104 Cb 1.17 1.89 0.11 0.00 -1.52 0.00 0.00 31.29 32.93 2rq9 h VAL 104 CO 0.50 0.15 -0.66 0.61 0.02 0.00 0.00 177.57 178.18 2rq9 n GLY 105 N 0.59 -1.88 3.75 2.17 0.00 -1.26 -4.60 105.19 103.96 2rq9 n GLY 105 Ca 0.02 -0.05 -0.27 0.00 0.00 0.00 0.00 46.02 45.72 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 2.97 3.65 0.00 0.99 1.43 -1.26 -2.52 118.68 123.94 2rq9 s LEU 106 Ca 0.38 -0.20 0.00 0.00 -1.03 0.00 0.00 54.13 53.28 2rq9 s LEU 106 Cb -0.38 -2.28 0.00 0.00 0.03 0.00 0.00 46.19 43.56 2rq9 s LEU 106 CO 0.41 0.09 0.00 0.29 0.23 0.00 0.00 176.35 177.37 2rq9 n LYS 107 N -0.16 -0.18 0.00 1.70 5.02 0.70 -4.67 118.16 120.57 2rq9 n LYS 107 Ca -0.09 0.00 0.06 0.00 -2.02 0.00 0.00 58.31 56.26 2rq9 n LYS 107 Cb 0.54 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.53 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 -0.79 2.24 -0.12 1.97 0.00 -1.26 -4.25 118.16 115.95 2rq9 n LYS 108 Ca 0.00 -0.49 0.11 0.00 0.00 0.00 0.00 58.31 57.92 2rq9 n LYS 108 Cb 0.00 -1.13 0.31 0.00 0.00 0.00 0.00 35.03 34.21 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 -0.51 2.22 -0.07 3.14 5.15 -1.26 -4.74 115.26 119.19 2rq9 n ASN 109 Ca 0.04 -1.82 0.00 0.00 -0.60 0.00 0.00 54.58 52.21 2rq9 n ASN 109 Cb 0.24 -0.16 0.00 0.00 -0.53 0.00 0.00 39.78 39.33 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 1.24 0.76 3.38 8.20 0.00 -1.26 -5.07 105.19 112.44 2rq9 n GLY 110 Ca 0.17 -0.67 -0.19 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.79 2.05 0.17 1.61 1.04 -1.26 -3.34 113.70 111.19 2rq9 s SER 111 Ca 0.00 -1.29 -0.30 0.00 0.48 0.00 0.00 55.95 54.84 2rq9 s SER 111 Cb 0.00 -0.03 -0.07 0.00 0.10 0.00 0.00 66.02 66.02 2rq9 s SER 111 CO 0.00 -0.55 1.08 0.00 0.98 0.00 0.00 173.24 174.75 2rq9 s LYS 113 N -0.29 3.69 0.03 0.00 2.20 -1.05 -4.52 119.74 119.81 2rq9 s LYS 113 Ca 0.49 0.12 -0.36 0.00 -0.36 0.00 0.00 55.97 55.87 2rq9 s LYS 113 Cb -0.28 -3.81 -0.18 0.00 -1.51 0.00 0.00 37.83 32.04 2rq9 s LYS 113 CO 0.34 -0.78 0.92 0.54 -0.36 0.00 0.00 175.35 176.01 2rq9 n ARG 114 N 6.17 0.00 -0.14 4.03 3.00 -1.25 -4.74 116.66 123.72 2rq9 n ARG 114 Ca 0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 57.85 57.81 2rq9 n ARG 114 Cb 0.48 -1.33 0.05 0.00 0.00 0.00 0.00 32.46 31.66 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 2.49 0.48 0.40 -0.13 0.00 -0.06 0.46 103.07 106.71 2rq9 h GLY 115 Ca -0.44 0.04 0.00 0.00 0.00 0.00 0.00 47.33 46.93 2rq9 h GLY 115 CO 0.60 -0.11 0.00 -1.55 0.00 0.00 0.00 176.54 175.48 2rq9 n PRO 116 N -5.20 0.75 -0.06 4.80 -0.04 -1.26 -1.93 135.00 132.07 2rq9 n PRO 116 Ca 0.04 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.52 2rq9 n PRO 116 Cb 0.24 -1.20 0.05 0.00 -0.04 0.00 0.00 33.50 32.55 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 -0.70 2.37 -4.28 0.54 5.12 0.16 -5.01 116.66 114.86 2rq9 n ARG 117 Ca 0.07 -1.55 -0.28 0.00 -1.93 0.00 0.00 57.85 54.16 2rq9 n ARG 117 Cb 0.03 -1.10 -0.10 0.00 -1.16 0.00 0.00 32.46 30.13 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 -0.89 3.15 0.00 0.55 -4.23 -0.81 -4.83 115.64 108.58 2rq9 s THR 118 Ca 0.08 -1.55 0.00 0.00 -1.18 0.00 0.00 61.69 59.05 2rq9 s THR 118 Cb 0.04 -2.52 0.00 0.00 1.34 0.00 0.00 72.50 71.37 2rq9 s THR 118 CO 0.06 -0.02 0.00 1.41 -0.54 0.00 0.00 174.62 175.53 2rq9 n HIS 119 N 0.34 -0.55 -3.23 3.99 8.25 -1.26 -4.74 115.22 118.02 2rq9 n HIS 119 Ca -0.12 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 56.95 2rq9 n HIS 119 Cb 0.54 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.59 2rq9 n HIS 119 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 2rq9 s TYR 120 N -6.15 3.70 0.00 4.41 5.04 -1.26 -3.97 117.35 119.13 2rq9 s TYR 120 Ca 0.00 1.19 0.00 0.00 -2.44 0.00 0.00 57.07 55.82 2rq9 s TYR 120 Cb 0.00 -2.58 0.00 0.00 0.35 0.00 0.00 41.96 39.73 2rq9 s TYR 120 CO 0.00 0.40 0.00 0.41 -1.34 0.00 0.00 175.55 175.02 2rq9 n GLY 121 N 2.32 1.77 3.88 8.97 0.00 -1.26 -5.10 105.19 115.77 2rq9 n GLY 121 Ca -0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.64 2rq9 n GLY 121 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2rq9 s GLN 122 N -0.21 3.78 -0.20 1.61 -0.21 -1.25 -4.97 119.66 118.21 2rq9 s GLN 122 Ca 0.00 0.38 0.10 0.00 0.02 0.00 0.00 55.36 55.86 2rq9 s GLN 122 Cb 0.00 -2.48 0.65 0.00 1.00 0.00 0.00 33.01 32.17 2rq9 s GLN 122 CO 0.00 0.09 1.51 1.17 -2.12 0.00 0.00 175.29 175.93 2rq9 n LYS 123 N -0.94 3.97 -0.13 2.91 4.81 -1.26 -4.05 118.16 123.46 2rq9 n LYS 123 Ca 0.01 -2.49 -0.24 0.00 -0.87 0.00 0.00 58.31 54.72 2rq9 n LYS 123 Cb 0.54 -2.10 -0.11 0.00 0.02 0.00 0.00 35.03 33.38 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 0.41 1.31 -0.01 3.14 0.00 -1.26 -0.89 120.51 123.21 2rq9 n ALA 124 Ca 0.24 -1.10 0.12 0.00 0.00 0.00 0.00 53.44 52.70 2rq9 n ALA 124 Cb 1.03 0.02 0.55 0.00 0.00 0.00 0.00 19.45 21.06 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 -0.53 0.90 -2.57 0.00 3.07 -1.87 -3.35 117.51 113.16 2rq9 h ILE 125 Ca -0.65 -0.10 -0.53 0.00 1.55 0.00 0.00 64.86 65.14 2rq9 h ILE 125 Cb 1.75 0.59 0.03 0.00 -0.27 0.00 0.00 36.82 38.92 2rq9 h ILE 125 CO -0.27 0.05 1.09 -0.76 -1.05 0.00 0.00 178.15 177.21 2rq9 s LEU 126 N -9.20 4.39 -0.01 0.16 1.43 -1.26 -4.32 118.68 109.86 2rq9 s LEU 126 Ca -0.07 2.60 0.01 0.00 -1.03 0.00 0.00 54.13 55.64 2rq9 s LEU 126 Cb 0.19 -3.56 0.01 0.00 0.03 0.00 0.00 46.19 42.86 2rq9 s LEU 126 CO 0.73 -0.96 -0.02 -0.36 0.23 0.00 0.00 176.35 175.97 2rq9 s PHE 127 N 3.12 0.26 -0.16 0.29 0.08 0.41 -4.18 117.98 117.80 2rq9 s PHE 127 Ca 0.79 -0.03 0.01 0.00 0.12 0.00 0.00 56.93 57.82 2rq9 s PHE 127 Cb -0.42 -0.23 0.02 0.00 -0.57 0.00 0.00 43.02 41.82 2rq9 s PHE 127 CO 0.35 -0.04 -0.18 -1.17 -0.10 0.00 0.00 175.22 174.08 2rq9 s LEU 128 N 0.25 1.95 -0.50 -0.37 0.20 -1.17 0.20 118.68 119.24 2rq9 s LEU 128 Ca -0.02 -0.58 -0.28 0.00 0.69 0.00 0.00 54.13 53.94 2rq9 s LEU 128 Cb -0.05 -1.35 0.01 0.00 -0.43 0.00 0.00 46.19 44.37 2rq9 s LEU 128 CO -0.01 -0.01 1.46 -2.16 -0.29 0.00 0.00 176.35 175.34 2rq9 s PRO 129 N 1.30 3.36 0.27 0.98 0.04 -1.24 -2.02 135.00 137.70 2rq9 s PRO 129 Ca 0.03 0.69 -0.14 0.00 0.04 0.00 0.00 61.00 61.62 2rq9 s PRO 129 Cb -0.13 -4.11 -0.08 0.00 0.04 0.00 0.00 34.50 30.22 2rq9 s PRO 129 CO -0.11 -1.85 0.67 -0.51 0.04 0.00 0.00 177.00 175.25 2rq9 s LEU 130 N 6.07 4.14 0.12 -3.56 2.01 0.54 -4.78 118.68 123.22 2rq9 s LEU 130 Ca 0.58 1.19 -0.30 0.00 0.01 0.00 0.00 54.13 55.60 2rq9 s LEU 130 Cb -0.12 -3.86 -0.07 0.00 0.01 0.00 0.00 46.19 42.14 2rq9 s LEU 130 CO 0.28 -0.12 1.14 -2.16 1.01 0.00 0.00 176.35 176.50 2rq9 s PRO 131 N -2.76 4.52 0.17 1.29 0.04 -1.26 -1.75 135.00 135.25 2rq9 s PRO 131 Ca 0.50 1.74 -0.02 0.00 0.04 0.00 0.00 61.00 63.26 2rq9 s PRO 131 Cb -0.11 -3.31 -0.04 0.00 0.04 0.00 0.00 34.50 31.08 2rq9 s PRO 131 CO 0.19 -0.08 0.11 0.54 0.04 0.00 0.00 177.00 177.80 2rq9 s VAL 132 N 0.36 0.05 -0.26 -0.36 0.11 -1.20 -4.92 120.40 114.17 2rq9 s VAL 132 Ca 0.53 -1.93 -0.18 0.00 -2.93 0.00 0.00 61.98 57.48 2rq9 s VAL 132 Cb -0.29 -2.26 0.03 0.00 -1.53 0.00 0.00 36.38 32.32 2rq9 s VAL 132 CO 0.32 -0.22 0.34 -0.24 -3.33 0.00 0.00 175.10 171.97 2rq9 n SER 133 N -0.19 -6.38 -4.63 3.54 2.88 -1.26 -4.37 113.62 103.21 2rq9 n SER 133 Ca -0.02 0.27 -0.30 0.00 -1.33 0.00 0.00 58.87 57.50 2rq9 n SER 133 Cb 0.65 -2.30 0.19 0.00 -0.75 0.00 0.00 64.21 62.00 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 -1.40 2.46 -0.30 -3.46 0.01 -1.26 -4.74 113.70 105.01 2rq9 s SER 134 Ca 0.19 1.91 -0.17 0.00 1.31 0.00 0.00 55.95 59.19 2rq9 s SER 134 Cb -0.02 -2.46 0.19 0.00 0.21 0.00 0.00 66.02 63.95 2rq9 s SER 134 CO 0.51 -3.34 1.21 -0.62 0.41 0.00 0.00 173.24 171.41 2rq9 s ASP 135 N -2.73 -0.16 1.01 2.44 -1.08 -1.26 -5.08 116.67 109.81 2rq9 s ASP 135 Ca 0.67 0.26 -0.13 0.00 -0.52 0.00 0.00 52.55 52.82 2rq9 s ASP 135 Cb -0.23 1.00 0.18 0.00 -1.46 0.00 0.00 42.92 42.41 2rq9 s ASP 135 CO 0.60 -0.04 0.35 0.18 0.52 0.00 0.00 175.17 176.78 2rq9 n LEU 136 N 3.11 -1.29 0.00 -1.34 7.99 -1.26 -4.92 117.00 119.29 2rq9 n LEU 136 Ca -0.17 -0.40 0.00 0.00 -0.01 0.00 0.00 56.01 55.43 2rq9 n LEU 136 Cb 0.57 -0.77 0.00 0.00 -0.11 0.00 0.00 43.42 43.11 2rq9 n LEU 136 CO 0.05 -3.29 0.00 -0.62 -1.51 0.00 0.00 177.39 172.02 2rq9 n GLU 137 N -1.85 0.00 -2.01 3.23 1.02 -1.26 -5.12 120.64 114.65 2rq9 n GLU 137 Ca 0.06 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 57.18 2rq9 n GLU 137 Cb 0.34 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 31.75 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 -2.06 -2.90 -1.86 -0.32 -0.00 -1.26 -4.93 115.22 101.90 2rq9 n HIS 138 Ca 0.00 1.71 -0.38 0.00 0.46 0.00 0.00 57.72 59.51 2rq9 n HIS 138 Cb 0.00 -3.08 0.04 0.00 -0.12 0.00 0.00 29.99 26.83 2rq9 n HIS 138 CO 0.00 0.00 0.00 -3.38 0.46 0.00 0.00 176.34 173.42 2rq9 s HIS 139 N -0.39 2.36 0.00 1.57 -3.43 -1.26 -4.98 115.29 109.16 2rq9 s HIS 139 Ca -0.09 1.41 0.00 0.00 -0.80 0.00 0.00 55.06 55.58 2rq9 s HIS 139 Cb 0.01 -3.72 0.00 0.00 -1.43 0.00 0.00 32.58 27.44 2rq9 s HIS 139 CO 0.26 -2.68 0.44 1.58 -2.00 0.00 0.00 174.74 172.34 2rq9 n HIS 140 N -1.04 0.00 -0.01 0.38 -0.00 -1.26 -5.06 115.22 108.23 2rq9 n HIS 140 Ca 0.10 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.29 2rq9 n HIS 140 Cb 0.46 -0.30 -0.00 0.00 -0.12 0.00 0.00 29.99 30.03 2rq9 n HIS 140 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2rq9 n HIS 141 N -1.40 -0.02 0.01 1.57 -0.00 -1.26 -5.06 115.22 109.06 2rq9 n HIS 141 Ca 0.00 0.01 0.00 0.00 0.46 0.00 0.00 57.72 58.19 2rq9 n HIS 141 Cb 0.00 -0.33 0.00 0.00 -0.12 0.00 0.00 29.99 29.54 2rq9 n HIS 141 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2rq9 n HIS 142 N -1.70 -0.08 1.60 1.57 -0.00 -1.26 -5.33 115.22 110.03 2rq9 n HIS 142 Ca -0.00 0.01 0.14 0.00 0.46 0.00 0.00 57.72 58.34 2rq9 n HIS 142 Cb 0.00 0.26 0.61 0.00 -0.12 0.00 0.00 29.99 30.74 2rq9 n HIS 142 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38