#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 -1.06 -2.81 7.83 5.15 -1.26 -5.13 115.26 117.98 2rq9 n ASN 2 Ca 0.00 0.53 -0.03 0.00 -0.60 0.00 0.00 54.58 54.48 2rq9 n ASN 2 Cb 0.00 1.16 -0.02 0.00 -0.53 0.00 0.00 39.78 40.39 2rq9 n ASN 2 CO 0.00 0.00 0.00 -1.22 1.40 0.00 0.00 177.26 177.44 2rq9 n TYR 3 N -3.35 -2.77 -0.01 1.20 4.01 -1.26 -4.99 117.16 109.99 2rq9 n TYR 3 Ca 0.00 1.51 -0.00 0.00 -0.16 0.00 0.00 57.90 59.25 2rq9 n TYR 3 Cb 0.00 -2.87 -0.00 0.00 -0.31 0.00 0.00 39.34 36.15 2rq9 n TYR 3 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 2rq9 h LYS 4 N 4.13 0.00 -5.69 -0.72 1.63 -1.97 -3.49 116.57 110.46 2rq9 h LYS 4 Ca -0.26 0.00 -0.22 0.00 -0.85 0.00 0.00 60.65 59.32 2rq9 h LYS 4 Cb 0.70 0.00 0.09 0.00 -0.60 0.00 0.00 32.23 32.42 2rq9 h LYS 4 CO 0.02 0.00 -0.59 1.17 -3.45 0.00 0.00 179.45 176.61 2rq9 n LYS 5 N -2.41 -1.64 -2.53 1.90 4.81 -1.26 -4.52 118.16 112.50 2rq9 n LYS 5 Ca -0.00 1.00 -0.36 0.00 -0.87 0.00 0.00 58.31 58.08 2rq9 n LYS 5 Cb 0.01 -5.16 -0.04 0.00 0.02 0.00 0.00 35.03 29.87 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 -4.26 4.03 0.05 1.64 0.04 -1.26 -4.15 135.00 131.09 2rq9 s PRO 6 Ca 0.26 1.47 -0.06 0.00 0.04 0.00 0.00 61.00 62.72 2rq9 s PRO 6 Cb -0.06 -2.39 -0.01 0.00 0.04 0.00 0.00 34.50 32.08 2rq9 s PRO 6 CO 0.78 -0.25 0.10 0.15 0.04 0.00 0.00 177.00 177.82 2rq9 s LYS 7 N -2.74 0.65 -0.06 4.56 1.02 0.09 -3.25 119.74 120.01 2rq9 s LYS 7 Ca 0.61 -0.87 0.00 0.00 0.02 0.00 0.00 55.97 55.73 2rq9 s LYS 7 Cb -0.20 0.25 -0.03 0.00 -0.52 0.00 0.00 37.83 37.33 2rq9 s LYS 7 CO 0.25 -0.17 -0.03 -0.51 -0.92 0.00 0.00 175.35 173.97 2rq9 s LEU 8 N -2.42 3.37 -0.33 3.17 1.43 0.41 -3.75 118.68 120.56 2rq9 s LEU 8 Ca -0.01 0.03 -0.20 0.00 -1.03 0.00 0.00 54.13 52.92 2rq9 s LEU 8 Cb 0.02 -1.80 -0.00 0.00 0.03 0.00 0.00 46.19 44.44 2rq9 s LEU 8 CO -0.07 0.35 0.60 -0.76 0.23 0.00 0.00 176.35 176.70 2rq9 s LEU 9 N -1.01 4.23 -0.26 1.79 1.43 -1.26 0.95 118.68 124.54 2rq9 s LEU 9 Ca 0.14 0.22 -0.10 0.00 -1.03 0.00 0.00 54.13 53.36 2rq9 s LEU 9 Cb -0.11 -2.74 -0.04 0.00 0.03 0.00 0.00 46.19 43.33 2rq9 s LEU 9 CO 0.04 -0.51 0.14 -0.47 0.23 0.00 0.00 176.35 175.78 2rq9 s TYR 10 N 2.58 3.19 -1.24 0.29 5.04 -0.28 -3.19 117.35 123.73 2rq9 s TYR 10 Ca 0.23 -0.05 -0.13 0.00 -2.44 0.00 0.00 57.07 54.68 2rq9 s TYR 10 Cb -0.15 -2.31 0.16 0.00 0.35 0.00 0.00 41.96 40.01 2rq9 s TYR 10 CO 0.13 -0.19 1.58 0.00 -1.34 0.00 0.00 175.55 175.73 2rq9 n SER 12 N 5.53 0.03 -0.24 0.00 3.41 -1.26 0.19 113.62 121.28 2rq9 n SER 12 Ca 0.39 0.95 0.04 0.00 -0.26 0.00 0.00 58.87 59.99 2rq9 n SER 12 Cb 0.42 -0.47 0.14 0.00 -0.26 0.00 0.00 64.21 64.03 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 -0.36 0.00 4.04 -1.24 -1.74 -3.33 115.58 112.95 2rq9 h ASN 13 Ca 0.85 0.19 0.00 0.00 0.71 0.00 0.00 56.30 58.04 2rq9 h ASN 13 Cb 3.31 0.34 0.00 0.00 0.73 0.00 0.00 38.32 42.69 2rq9 h ASN 13 CO -0.07 -0.17 -0.81 0.61 -1.29 0.00 0.00 177.43 175.70 2rq9 n GLY 14 N -1.41 0.00 0.08 1.57 0.00 0.42 -4.98 105.19 100.86 2rq9 n GLY 14 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 3.02 0.68 3.28 -0.02 0.00 0.52 -5.03 105.19 107.64 2rq9 n GLY 15 Ca 0.00 -0.65 -0.11 0.00 0.00 0.00 0.00 46.02 45.25 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 -0.78 -0.14 -0.05 1.61 3.76 -1.26 -4.66 115.29 113.78 2rq9 s HIS 16 Ca 0.00 -0.07 -0.02 0.00 -0.15 0.00 0.00 55.06 54.82 2rq9 s HIS 16 Cb 0.00 0.15 -0.04 0.00 1.11 0.00 0.00 32.58 33.80 2rq9 s HIS 16 CO 0.00 -0.58 0.09 -0.06 -0.85 0.00 0.00 174.74 173.34 2rq9 s PHE 17 N -3.06 3.37 -0.33 1.40 0.08 -1.19 -2.17 117.98 116.08 2rq9 s PHE 17 Ca -0.01 0.30 -0.29 0.00 0.12 0.00 0.00 56.93 57.04 2rq9 s PHE 17 Cb 0.01 -1.81 0.01 0.00 -0.57 0.00 0.00 43.02 40.66 2rq9 s PHE 17 CO -0.07 0.59 1.22 -1.17 -0.10 0.00 0.00 175.22 175.70 2rq9 s LEU 18 N -1.45 3.85 -0.04 -0.37 2.96 -1.19 -1.22 118.68 121.22 2rq9 s LEU 18 Ca 0.20 1.06 0.01 0.00 -0.22 0.00 0.00 54.13 55.18 2rq9 s LEU 18 Cb -0.12 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 43.00 2rq9 s LEU 18 CO 0.10 -1.06 -0.04 -0.60 -1.32 0.00 0.00 176.35 173.43 2rq9 s ARG 19 N 4.10 2.76 -0.19 1.98 3.52 -0.68 -4.57 118.95 125.86 2rq9 s ARG 19 Ca 0.52 -0.57 0.01 0.00 -0.13 0.00 0.00 55.73 55.56 2rq9 s ARG 19 Cb -0.14 -2.63 0.04 0.00 -1.56 0.00 0.00 34.95 30.66 2rq9 s ARG 19 CO 0.22 0.65 -0.12 0.42 -0.81 0.00 0.00 175.30 175.67 2rq9 s ILE 20 N -0.93 1.70 0.38 4.11 1.01 -1.19 -2.52 121.20 123.76 2rq9 s ILE 20 Ca 0.15 -0.98 -0.05 0.00 0.00 0.00 0.00 60.65 59.77 2rq9 s ILE 20 Cb -0.11 -1.73 -0.04 0.00 0.01 0.00 0.00 42.46 40.58 2rq9 s ILE 20 CO 0.05 0.23 0.65 -0.76 0.00 0.00 0.00 174.94 175.12 2rq9 s LEU 21 N 1.38 3.88 0.00 2.97 1.43 0.12 -4.76 118.68 123.71 2rq9 s LEU 21 Ca -0.00 0.78 0.22 0.00 -1.03 0.00 0.00 54.13 54.10 2rq9 s LEU 21 Cb -0.16 -3.66 1.00 0.00 0.03 0.00 0.00 46.19 43.41 2rq9 s LEU 21 CO -0.09 -0.36 1.71 -0.81 0.23 0.00 0.00 176.35 177.03 2rq9 n PRO 22 N -1.59 0.11 -0.12 1.29 -0.04 -1.26 -2.20 135.00 131.19 2rq9 n PRO 22 Ca -0.01 0.11 0.07 0.00 -0.04 0.00 0.00 63.50 63.63 2rq9 n PRO 22 Cb 0.55 -1.50 0.25 0.00 -0.04 0.00 0.00 33.50 32.76 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 -1.43 1.62 -1.23 3.54 -0.08 -1.26 -4.88 116.55 112.84 2rq9 n ASP 23 Ca 0.07 -1.86 -0.05 0.00 -1.51 0.00 0.00 54.79 51.44 2rq9 n ASP 23 Cb 0.23 -0.16 0.02 0.00 2.34 0.00 0.00 41.12 43.55 2rq9 n ASP 23 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2rq9 n GLY 24 N 1.05 0.59 3.29 0.27 0.00 -0.93 -5.05 105.19 104.41 2rq9 n GLY 24 Ca 0.13 -0.46 -0.29 0.00 0.00 0.00 0.00 46.02 45.41 2rq9 n GLY 24 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2rq9 s THR 25 N -3.07 1.92 -0.08 2.61 2.01 -1.23 -4.54 115.64 113.26 2rq9 s THR 25 Ca 0.13 -1.21 -0.01 0.00 0.31 0.00 0.00 61.69 60.91 2rq9 s THR 25 Cb -0.06 -1.63 0.03 0.00 0.01 0.00 0.00 72.50 70.85 2rq9 s THR 25 CO 0.17 0.38 0.00 -0.69 -0.69 0.00 0.00 174.62 173.79 2rq9 s VAL 26 N -0.71 0.42 0.13 3.82 1.01 -1.24 0.15 120.40 123.97 2rq9 s VAL 26 Ca 0.10 0.04 -0.10 0.00 0.00 0.00 0.00 61.98 62.02 2rq9 s VAL 26 Cb -0.09 -0.60 0.00 0.00 0.00 0.00 0.00 36.38 35.69 2rq9 s VAL 26 CO 0.01 0.22 0.26 -1.81 0.00 0.00 0.00 175.10 173.78 2rq9 s ASP 27 N 1.95 0.04 0.43 3.32 1.11 -1.05 -4.54 116.67 117.94 2rq9 s ASP 27 Ca 0.04 -0.70 -0.21 0.00 0.18 0.00 0.00 52.55 51.86 2rq9 s ASP 27 Cb -0.13 0.40 -0.11 0.00 1.07 0.00 0.00 42.92 44.16 2rq9 s ASP 27 CO -0.06 -0.82 0.96 -0.83 1.18 0.00 0.00 175.17 175.61 2rq9 s GLY 28 N -2.90 2.44 -0.30 0.21 0.00 -0.69 -1.69 107.32 104.40 2rq9 s GLY 28 Ca 0.10 0.44 0.00 0.00 0.00 0.00 0.00 44.72 45.27 2rq9 s GLY 28 CO -0.06 0.74 0.63 -1.08 0.00 0.00 0.00 173.10 173.33 2rq9 s THR 29 N -2.11 -0.94 -0.66 0.90 -1.32 -0.36 -4.77 115.64 106.38 2rq9 s THR 29 Ca 0.62 0.00 -0.02 0.00 -1.21 0.00 0.00 61.69 61.08 2rq9 s THR 29 Cb -0.11 -0.98 0.40 0.00 -1.51 0.00 0.00 72.50 70.30 2rq9 s THR 29 CO 0.15 0.00 2.05 -1.14 -2.21 0.00 0.00 174.62 173.47 2rq9 n ARG 30 N 5.42 2.61 0.02 7.08 0.63 -1.26 -3.19 116.66 127.98 2rq9 n ARG 30 Ca 0.01 -3.15 0.11 0.00 -0.92 0.00 0.00 57.85 53.90 2rq9 n ARG 30 Cb 0.52 -2.22 -0.03 0.00 0.45 0.00 0.00 32.46 31.19 2rq9 n ARG 30 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 2rq9 n ASP 31 N -0.69 0.56 0.00 6.15 2.03 -1.26 -4.95 116.55 118.39 2rq9 n ASP 31 Ca 0.58 -0.22 0.00 0.00 0.52 0.00 0.00 54.79 55.67 2rq9 n ASP 31 Cb 0.58 1.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.98 2rq9 n ASP 31 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2rq9 n ARG 32 N -2.02 0.00 -0.29 -0.67 1.74 -1.26 -4.36 116.66 109.80 2rq9 n ARG 32 Ca 0.01 0.00 0.27 0.00 -0.77 0.00 0.00 57.85 57.36 2rq9 n ARG 32 Cb 0.46 0.00 0.48 0.00 -1.02 0.00 0.00 32.46 32.38 2rq9 n ARG 32 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 2rq9 n SER 33 N 1.28 0.24 -4.50 0.55 7.64 -1.26 -4.41 113.62 113.16 2rq9 n SER 33 Ca 0.00 1.22 -0.42 0.00 1.01 0.00 0.00 58.87 60.67 2rq9 n SER 33 Cb 0.00 -0.60 0.00 0.00 -1.01 0.00 0.00 64.21 62.61 2rq9 n SER 33 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2rq9 n ASP 34 N -4.58 -0.24 -0.05 6.43 8.00 -1.26 -4.90 116.55 119.94 2rq9 n ASP 34 Ca 0.30 0.98 -0.03 0.00 0.71 0.00 0.00 54.79 56.75 2rq9 n ASP 34 Cb 1.07 -1.17 -0.10 0.00 -0.02 0.00 0.00 41.12 40.90 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 0.54 1.56 0.14 -1.24 1.13 -1.26 -4.34 117.38 113.91 2rq9 n GLN 35 Ca 0.11 -0.03 0.12 0.00 -1.94 0.00 0.00 57.00 55.25 2rq9 n GLN 35 Cb 0.38 -1.33 0.51 0.00 0.11 0.00 0.00 30.24 29.91 2rq9 n GLN 35 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 2rq9 n HIS 36 N -2.35 0.79 0.17 1.08 8.25 -1.26 -1.29 115.22 120.61 2rq9 n HIS 36 Ca -0.16 0.33 0.04 0.00 -0.26 0.00 0.00 57.72 57.67 2rq9 n HIS 36 Cb 0.78 -1.03 0.26 0.00 1.12 0.00 0.00 29.99 31.11 2rq9 n HIS 36 CO 0.00 0.00 0.00 -0.84 0.64 0.00 0.00 176.34 176.14 2rq9 h ILE 37 N 0.00 0.97 -2.00 1.59 3.07 -1.81 -3.16 117.51 116.18 2rq9 h ILE 37 Ca 0.00 -1.76 -0.51 0.00 1.55 0.00 0.00 64.86 64.14 2rq9 h ILE 37 Cb 0.27 2.06 -0.02 0.00 -0.27 0.00 0.00 36.82 38.86 2rq9 h ILE 37 CO 0.00 0.43 1.44 -1.10 -1.05 0.00 0.00 178.15 177.88 2rq9 s GLN 38 N -3.48 2.64 0.06 0.16 -0.21 -0.41 -4.78 119.66 113.65 2rq9 s GLN 38 Ca 0.01 1.17 0.07 0.00 0.02 0.00 0.00 55.36 56.62 2rq9 s GLN 38 Cb 0.11 -4.41 -0.04 0.00 1.00 0.00 0.00 33.01 29.67 2rq9 s GLN 38 CO 0.71 -2.68 -0.15 -0.51 -2.12 0.00 0.00 175.29 170.54 2rq9 s LEU 39 N 9.60 2.79 -0.31 2.90 1.43 -1.25 -2.22 118.68 131.62 2rq9 s LEU 39 Ca 0.83 -0.41 -0.09 0.00 -1.03 0.00 0.00 54.13 53.43 2rq9 s LEU 39 Cb -0.18 -1.63 0.00 0.00 0.03 0.00 0.00 46.19 44.41 2rq9 s LEU 39 CO 0.26 0.23 0.14 0.00 0.23 0.00 0.00 176.35 177.21 2rq9 s GLN 40 N -1.73 3.23 0.01 1.70 -2.07 0.15 -0.73 119.66 120.21 2rq9 s GLN 40 Ca 0.17 -0.79 -0.20 0.00 -1.82 0.00 0.00 55.36 52.73 2rq9 s GLN 40 Cb -0.11 -3.53 -0.06 0.00 -1.09 0.00 0.00 33.01 28.23 2rq9 s GLN 40 CO 0.08 -0.45 0.57 -0.51 -1.32 0.00 0.00 175.29 173.66 2rq9 s LEU 41 N 1.58 4.44 0.04 2.60 1.02 -1.26 -2.31 118.68 124.79 2rq9 s LEU 41 Ca 0.04 1.16 -0.01 0.00 0.02 0.00 0.00 54.13 55.34 2rq9 s LEU 41 Cb -0.17 -2.88 -0.03 0.00 0.02 0.00 0.00 46.19 43.12 2rq9 s LEU 41 CO 0.05 0.15 -0.03 -0.44 0.02 0.00 0.00 176.35 176.10 2rq9 s SER 42 N -0.43 0.45 -0.14 2.29 0.01 0.36 -4.88 113.70 111.36 2rq9 s SER 42 Ca 0.30 -0.84 0.01 0.00 1.31 0.00 0.00 55.95 56.72 2rq9 s SER 42 Cb -0.18 0.16 -0.00 0.00 0.21 0.00 0.00 66.02 66.20 2rq9 s SER 42 CO 0.17 -0.50 -0.16 0.00 0.41 0.00 0.00 173.24 173.17 2rq9 s ALA 43 N -3.11 2.48 -0.14 1.44 0.00 -1.26 0.20 121.76 121.37 2rq9 s ALA 43 Ca -0.00 -0.99 -0.05 0.00 0.00 0.00 0.00 51.96 50.91 2rq9 s ALA 43 Cb 0.02 -1.16 -0.07 0.00 0.00 0.00 0.00 23.12 21.91 2rq9 s ALA 43 CO -0.07 0.09 -0.16 -1.91 0.00 0.00 0.00 175.76 173.70 2rq9 n GLU 44 N 3.84 0.30 -4.56 0.00 2.13 -1.22 -4.99 120.64 116.14 2rq9 n GLU 44 Ca -0.19 0.12 -0.26 0.00 0.66 0.00 0.00 57.16 57.49 2rq9 n GLU 44 Cb 0.52 -1.06 -0.11 0.00 0.27 0.00 0.00 31.44 31.07 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 -6.00 3.74 -0.05 4.31 0.01 -1.25 -5.04 113.70 109.41 2rq9 s SER 45 Ca -0.19 -1.23 -0.30 0.00 1.31 0.00 0.00 55.95 55.54 2rq9 s SER 45 Cb 0.07 -0.35 -0.06 0.00 0.21 0.00 0.00 66.02 65.89 2rq9 s SER 45 CO 0.26 -0.26 1.68 -0.69 0.41 0.00 0.00 173.24 174.64 2rq9 s VAL 46 N -2.64 3.54 0.00 3.43 1.01 -1.26 -1.00 120.40 123.47 2rq9 s VAL 46 Ca 0.33 0.65 0.00 0.00 0.00 0.00 0.00 61.98 62.96 2rq9 s VAL 46 Cb 0.04 -3.43 0.00 0.00 0.00 0.00 0.00 36.38 33.00 2rq9 s VAL 46 CO 0.17 -0.07 0.00 0.61 0.00 0.00 0.00 175.10 175.81 2rq9 n GLY 47 N 4.20 0.61 3.36 4.51 0.00 -1.26 -5.02 105.19 111.59 2rq9 n GLY 47 Ca 0.18 0.00 -0.31 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 -0.01 2.18 0.16 1.61 2.02 -0.18 -0.65 118.70 123.84 2rq9 s GLU 48 Ca 0.00 -0.89 0.02 0.00 0.02 0.00 0.00 54.97 54.12 2rq9 s GLU 48 Cb 0.00 -2.12 -0.05 0.00 0.10 0.00 0.00 34.13 32.06 2rq9 s GLU 48 CO 0.00 0.57 -0.02 0.14 0.02 0.00 0.00 175.26 175.97 2rq9 s VAL 49 N -0.67 0.75 -0.05 2.63 -7.23 0.04 -3.46 120.40 112.42 2rq9 s VAL 49 Ca 0.11 -1.98 0.02 0.00 -1.81 0.00 0.00 61.98 58.31 2rq9 s VAL 49 Cb -0.10 -2.03 0.01 0.00 0.56 0.00 0.00 36.38 34.82 2rq9 s VAL 49 CO -0.00 -0.56 -0.09 -0.31 -0.31 0.00 0.00 175.10 173.83 2rq9 s TYR 50 N -3.60 1.13 -0.26 2.82 2.02 0.53 -2.29 117.35 117.70 2rq9 s TYR 50 Ca 0.21 -0.35 -0.03 0.00 -0.37 0.00 0.00 57.07 56.53 2rq9 s TYR 50 Cb 0.06 -0.85 0.02 0.00 -0.40 0.00 0.00 41.96 40.79 2rq9 s TYR 50 CO 0.02 -0.19 -0.03 0.42 -1.57 0.00 0.00 175.55 174.20 2rq9 s ILE 51 N 0.55 3.16 0.02 2.71 1.01 -1.26 -0.49 121.20 126.91 2rq9 s ILE 51 Ca -0.10 -0.91 0.05 0.00 0.00 0.00 0.00 60.65 59.69 2rq9 s ILE 51 Cb -0.13 -2.60 -0.02 0.00 0.01 0.00 0.00 42.46 39.72 2rq9 s ILE 51 CO 0.02 0.19 -0.16 -0.75 0.00 0.00 0.00 174.94 174.24 2rq9 s LYS 52 N 1.38 1.10 -0.04 2.79 2.20 -0.98 -0.88 119.74 125.30 2rq9 s LYS 52 Ca 0.01 -0.71 -0.30 0.00 -0.36 0.00 0.00 55.97 54.61 2rq9 s LYS 52 Cb -0.17 -1.12 -0.02 0.00 -1.51 0.00 0.00 37.83 35.01 2rq9 s LYS 52 CO -0.03 0.29 1.02 0.45 -0.36 0.00 0.00 175.35 176.72 2rq9 s SER 53 N -0.88 7.27 0.00 1.43 0.15 0.06 0.30 113.70 122.03 2rq9 s SER 53 Ca 0.04 1.64 0.09 0.00 0.70 0.00 0.00 55.95 58.42 2rq9 s SER 53 Cb -0.07 -2.56 0.33 0.00 -1.71 0.00 0.00 66.02 62.00 2rq9 s SER 53 CO 0.01 -0.38 1.24 0.35 1.20 0.00 0.00 173.24 175.66 2rq9 n THR 54 N 4.23 0.22 -0.00 6.45 -2.24 -0.94 -2.08 114.28 119.91 2rq9 n THR 54 Ca 0.08 -0.23 -0.01 0.00 -2.27 0.00 0.00 64.05 61.61 2rq9 n THR 54 Cb 0.49 0.11 -0.00 0.00 -2.10 0.00 0.00 70.33 68.83 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 -0.01 0.05 -0.02 -0.78 2.13 -1.26 -4.83 120.64 115.92 2rq9 n GLU 55 Ca 0.08 0.02 -0.16 0.00 0.66 0.00 0.00 57.16 57.76 2rq9 n GLU 55 Cb 0.17 -0.37 -0.10 0.00 0.27 0.00 0.00 31.44 31.40 2rq9 n GLU 55 CO 0.00 0.00 0.00 1.79 -0.41 0.00 0.00 177.13 178.51 2rq9 h THR 56 N -0.10 1.44 -0.01 6.31 1.35 -1.86 -3.48 112.91 116.56 2rq9 h THR 56 Ca 0.00 -1.91 0.00 0.00 -0.55 0.00 0.00 66.41 63.95 2rq9 h THR 56 Cb 0.10 2.48 0.00 0.00 -1.73 0.00 0.00 68.15 68.99 2rq9 h THR 56 CO 0.00 0.55 0.00 0.61 -0.25 0.00 0.00 175.52 176.43 2rq9 n GLY 57 N 0.89 1.61 3.80 5.82 0.00 -0.88 -5.05 105.19 111.37 2rq9 n GLY 57 Ca -0.09 -0.02 -0.22 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.71 2.53 -0.09 1.61 -0.21 -1.26 -4.86 119.66 116.67 2rq9 s GLN 58 Ca 0.00 -1.45 -0.01 0.00 0.02 0.00 0.00 55.36 53.91 2rq9 s GLN 58 Cb 0.00 -2.31 -0.03 0.00 1.00 0.00 0.00 33.01 31.66 2rq9 s GLN 58 CO 0.00 0.06 -0.02 0.71 -2.12 0.00 0.00 175.29 173.92 2rq9 s TYR 59 N -2.39 3.08 -0.29 0.91 2.02 -1.20 -0.76 117.35 118.73 2rq9 s TYR 59 Ca 0.40 0.07 -0.29 0.00 -0.37 0.00 0.00 57.07 56.88 2rq9 s TYR 59 Cb -0.04 -1.80 0.01 0.00 -0.40 0.00 0.00 41.96 39.73 2rq9 s TYR 59 CO 0.25 0.35 1.22 -1.17 -1.57 0.00 0.00 175.55 174.63 2rq9 s LEU 60 N -0.64 3.92 0.03 -1.29 2.96 -0.06 -1.29 118.68 122.31 2rq9 s LEU 60 Ca 0.10 1.20 0.02 0.00 -0.22 0.00 0.00 54.13 55.22 2rq9 s LEU 60 Cb -0.12 -3.54 -0.02 0.00 0.50 0.00 0.00 46.19 43.01 2rq9 s LEU 60 CO 0.02 -0.99 -0.06 0.00 -1.32 0.00 0.00 176.35 174.00 2rq9 s ALA 61 N 4.06 0.46 -0.30 5.97 0.00 -0.44 -4.31 121.76 127.19 2rq9 s ALA 61 Ca 0.53 -0.66 -0.09 0.00 0.00 0.00 0.00 51.96 51.74 2rq9 s ALA 61 Cb -0.16 0.05 -0.01 0.00 0.00 0.00 0.00 23.12 23.00 2rq9 s ALA 61 CO 0.20 -0.03 0.14 1.41 0.00 0.00 0.00 175.76 177.48 2rq9 s MET 62 N -1.37 3.35 0.00 0.00 1.75 -1.26 -0.62 119.30 121.15 2rq9 s MET 62 Ca -0.10 -0.71 0.00 0.00 -1.25 0.00 0.00 55.69 53.63 2rq9 s MET 62 Cb -0.09 -3.53 0.00 0.00 2.84 0.00 0.00 34.83 34.05 2rq9 s MET 62 CO 0.00 -0.40 0.00 -0.25 -0.65 0.00 0.00 175.02 173.72 2rq9 n ASP 63 N 4.97 -0.85 0.00 1.11 8.00 -0.77 -4.88 116.55 124.14 2rq9 n ASP 63 Ca -0.14 -0.32 0.13 0.00 0.71 0.00 0.00 54.79 55.18 2rq9 n ASP 63 Cb 0.49 0.00 0.48 0.00 -0.02 0.00 0.00 41.12 42.07 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 -2.06 0.02 1.40 -3.53 -2.24 -1.26 -2.98 114.28 103.62 2rq9 n THR 64 Ca 0.00 -0.01 0.14 0.00 -2.27 0.00 0.00 64.05 61.91 2rq9 n THR 64 Cb 0.00 -0.23 0.58 0.00 -2.10 0.00 0.00 70.33 68.59 2rq9 n THR 64 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2rq9 n ASP 65 N -1.53 0.56 0.00 3.42 8.00 -1.26 -4.88 116.55 120.85 2rq9 n ASP 65 Ca 0.06 -0.64 0.00 0.00 0.71 0.00 0.00 54.79 54.92 2rq9 n ASP 65 Cb 0.34 -0.05 0.00 0.00 -0.02 0.00 0.00 41.12 41.40 2rq9 n ASP 65 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2rq9 n GLY 66 N 1.28 0.88 3.92 0.44 0.00 -1.16 -4.67 105.19 105.88 2rq9 n GLY 66 Ca 0.14 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.90 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 3.26 -0.20 0.99 1.02 -1.26 -0.45 118.68 122.05 2rq9 s LEU 67 Ca 0.00 0.66 -0.06 0.00 0.02 0.00 0.00 54.13 54.75 2rq9 s LEU 67 Cb 0.00 -3.49 -0.03 0.00 0.02 0.00 0.00 46.19 42.69 2rq9 s LEU 67 CO 0.00 -1.04 0.03 -0.76 0.02 0.00 0.00 176.35 174.59 2rq9 s LEU 68 N -4.95 3.45 0.13 1.79 1.43 -1.26 -1.85 118.68 117.42 2rq9 s LEU 68 Ca 0.54 -0.11 0.01 0.00 -1.03 0.00 0.00 54.13 53.53 2rq9 s LEU 68 Cb -0.10 -1.88 -0.04 0.00 0.03 0.00 0.00 46.19 44.19 2rq9 s LEU 68 CO 0.44 0.09 -0.00 -0.72 0.23 0.00 0.00 176.35 176.39 2rq9 s TYR 69 N 0.84 0.97 -0.16 0.29 -0.85 0.21 -3.71 117.35 114.95 2rq9 s TYR 69 Ca 0.02 -1.05 -0.18 0.00 -0.52 0.00 0.00 57.07 55.34 2rq9 s TYR 69 Cb -0.14 -0.57 -0.04 0.00 0.38 0.00 0.00 41.96 41.59 2rq9 s TYR 69 CO 0.02 -0.29 0.46 0.20 -1.52 0.00 0.00 175.55 174.42 2rq9 s GLY 70 N -3.08 2.24 0.03 5.49 0.00 -1.26 -1.32 107.32 109.42 2rq9 s GLY 70 Ca 0.19 -0.32 -0.15 0.00 0.00 0.00 0.00 44.72 44.44 2rq9 s GLY 70 CO -0.00 0.84 0.44 -0.45 0.00 0.00 0.00 173.10 173.93 2rq9 s SER 71 N 0.82 6.85 0.19 1.64 0.15 -0.41 -4.84 113.70 118.10 2rq9 s SER 71 Ca 0.24 1.01 0.01 0.00 0.70 0.00 0.00 55.95 57.90 2rq9 s SER 71 Cb -0.15 -2.27 0.11 0.00 -1.71 0.00 0.00 66.02 62.01 2rq9 s SER 71 CO 0.09 0.30 1.47 -0.61 1.20 0.00 0.00 173.24 175.69 2rq9 h GLN 72 N 4.55 0.35 -6.19 5.44 4.15 -1.95 -3.16 115.11 118.29 2rq9 h GLN 72 Ca -0.51 -0.27 -0.59 0.00 0.77 0.00 0.00 58.65 58.05 2rq9 h GLN 72 Cb 1.22 0.05 -0.15 0.00 0.21 0.00 0.00 27.48 28.81 2rq9 h GLN 72 CO 0.62 0.91 -0.77 0.95 -1.93 0.00 0.00 178.83 178.61 2rq9 s THR 73 N -3.65 2.31 -0.33 2.39 -4.23 -1.26 -4.98 115.64 105.89 2rq9 s THR 73 Ca -0.05 -2.27 -0.29 0.00 -1.18 0.00 0.00 61.69 57.90 2rq9 s THR 73 Cb 0.11 -2.20 0.00 0.00 1.34 0.00 0.00 72.50 71.75 2rq9 s THR 73 CO 0.83 -0.36 1.37 -2.16 -0.54 0.00 0.00 174.62 173.76 2rq9 s PRO 74 N -3.30 3.77 0.14 3.99 0.04 -1.26 -4.93 135.00 133.45 2rq9 s PRO 74 Ca 0.26 1.17 0.07 0.00 0.04 0.00 0.00 61.00 62.55 2rq9 s PRO 74 Cb -0.05 -3.95 -0.04 0.00 0.04 0.00 0.00 34.50 30.50 2rq9 s PRO 74 CO 0.12 -1.31 -0.17 -0.80 0.04 0.00 0.00 177.00 174.88 2rq9 s ASN 75 N 3.37 2.41 0.60 6.66 0.01 -1.26 -5.00 114.94 121.73 2rq9 s ASN 75 Ca 0.60 -0.82 0.29 0.00 -0.71 0.00 0.00 52.86 52.22 2rq9 s ASN 75 Cb -0.16 -0.12 1.30 0.00 0.41 0.00 0.00 41.25 42.67 2rq9 s ASN 75 CO 0.27 -0.06 1.68 -0.33 -1.51 0.00 0.00 177.10 177.15 2rq9 h GLU 76 N 3.47 0.00 -0.03 -0.60 3.07 -1.94 1.39 114.58 119.94 2rq9 h GLU 76 Ca -0.42 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 58.41 2rq9 h GLU 76 Cb 1.20 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.10 2rq9 h GLU 76 CO 0.49 0.00 -0.11 0.93 -1.40 0.00 0.00 179.01 178.92 2rq9 h GLU 77 N 0.00 0.05 0.00 2.33 5.08 -1.95 0.17 114.58 120.25 2rq9 h GLU 77 Ca 0.34 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.69 2rq9 h GLU 77 Cb 1.88 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 31.13 2rq9 h GLU 77 CO -0.00 0.16 0.00 0.00 -1.00 0.00 0.00 179.01 178.17 2rq9 s LEU 79 N -5.20 4.07 0.32 0.00 2.96 0.59 -4.33 118.68 117.10 2rq9 s LEU 79 Ca 0.07 0.67 0.09 0.00 -0.22 0.00 0.00 54.13 54.74 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 0.58 -0.33 -0.10 -0.36 -1.32 0.00 0.00 176.35 174.81 2rq9 s PHE 80 N 2.37 2.29 -0.21 5.38 0.40 -0.97 -1.40 117.98 125.85 2rq9 s PHE 80 Ca 0.25 -0.51 -0.07 0.00 -0.60 0.00 0.00 56.93 55.99 2rq9 s PHE 80 Cb -0.16 -1.27 -0.04 0.00 0.51 0.00 0.00 43.02 42.07 2rq9 s PHE 80 CO 0.09 0.54 0.07 -0.51 0.70 0.00 0.00 175.22 176.11 2rq9 s LEU 81 N -3.56 3.68 0.13 -0.37 2.01 0.52 -0.78 118.68 120.31 2rq9 s LEU 81 Ca 0.31 -0.03 0.06 0.00 0.01 0.00 0.00 54.13 54.48 2rq9 s LEU 81 Cb 0.02 -1.95 -0.04 0.00 0.01 0.00 0.00 46.19 44.23 2rq9 s LEU 81 CO 0.15 0.09 0.02 -0.70 1.01 0.00 0.00 176.35 176.93 2rq9 s GLU 82 N 0.85 2.55 0.21 1.70 -6.30 0.17 -0.90 118.70 116.97 2rq9 s GLU 82 Ca 0.04 -0.95 -0.18 0.00 -2.50 0.00 0.00 54.97 51.38 2rq9 s GLU 82 Cb -0.14 -2.49 0.03 0.00 0.00 0.00 0.00 34.13 31.54 2rq9 s GLU 82 CO 0.02 0.50 0.56 1.03 0.02 0.00 0.00 175.26 177.39 2rq9 s ARG 83 N -2.68 1.43 -0.14 4.30 1.81 -1.19 -4.72 118.95 117.76 2rq9 s ARG 83 Ca 0.27 -0.86 -0.12 0.00 -1.72 0.00 0.00 55.73 53.31 2rq9 s ARG 83 Cb -0.11 0.54 -0.05 0.00 -0.45 0.00 0.00 34.95 34.89 2rq9 s ARG 83 CO 0.19 -0.62 0.24 -1.17 -0.68 0.00 0.00 175.30 173.26 2rq9 s LEU 84 N -2.87 4.29 0.36 2.53 1.98 -1.26 -2.26 118.68 121.44 2rq9 s LEU 84 Ca 0.09 0.49 0.08 0.00 -2.89 0.00 0.00 54.13 51.90 2rq9 s LEU 84 Cb -0.02 -2.27 -0.05 0.00 0.66 0.00 0.00 46.19 44.51 2rq9 s LEU 84 CO -0.02 0.21 0.08 -1.61 -1.89 0.00 0.00 176.35 173.11 2rq9 s GLU 85 N -0.04 2.17 1.00 1.98 2.02 0.27 -5.00 118.70 121.10 2rq9 s GLU 85 Ca 0.15 -1.74 -0.20 0.00 0.02 0.00 0.00 54.97 53.20 2rq9 s GLU 85 Cb -0.13 -1.98 -0.02 0.00 0.10 0.00 0.00 34.13 32.10 2rq9 s GLU 85 CO 0.04 0.07 -0.59 -1.91 0.02 0.00 0.00 175.26 172.88 2rq9 n GLU 86 N -1.06 -0.93 0.00 1.61 2.13 -1.26 -3.48 120.64 117.66 2rq9 n GLU 86 Ca -0.03 -0.27 0.00 0.00 0.66 0.00 0.00 57.16 57.52 2rq9 n GLU 86 Cb 0.63 -1.32 0.00 0.00 0.27 0.00 0.00 31.44 31.02 2rq9 n GLU 86 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 2rq9 n ASN 87 N 0.89 0.00 0.00 4.31 4.13 -1.26 -2.84 115.26 120.49 2rq9 n ASN 87 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 2rq9 n ASN 87 Cb 0.58 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.82 2rq9 n ASN 87 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2rq9 n HIS 88 N 0.00 0.00 -4.17 3.10 1.44 -1.23 -5.17 115.22 109.20 2rq9 n HIS 88 Ca 0.00 0.00 -0.23 0.00 -2.01 0.00 0.00 57.72 55.48 2rq9 n HIS 88 Cb 0.00 0.00 -0.07 0.00 0.12 0.00 0.00 29.99 30.04 2rq9 n HIS 88 CO 0.00 0.00 0.00 0.71 -2.81 0.00 0.00 176.34 174.24 2rq9 s TYR 89 N 0.00 2.69 0.29 -1.40 2.02 -1.13 -4.97 117.35 114.85 2rq9 s TYR 89 Ca 0.00 -0.36 0.10 0.00 -0.37 0.00 0.00 57.07 56.44 2rq9 s TYR 89 Cb 0.00 -1.54 -0.05 0.00 -0.40 0.00 0.00 41.96 39.96 2rq9 s TYR 89 CO 0.00 0.41 -0.14 -0.80 -1.57 0.00 0.00 175.55 173.44 2rq9 s ASN 90 N -3.80 3.41 0.24 2.29 -0.87 -0.93 -0.57 114.94 114.71 2rq9 s ASN 90 Ca 0.36 -1.10 0.03 0.00 -1.57 0.00 0.00 52.86 50.58 2rq9 s ASN 90 Cb -0.03 -0.28 -0.05 0.00 -0.02 0.00 0.00 41.25 40.87 2rq9 s ASN 90 CO 0.22 -0.10 0.03 0.42 -2.57 0.00 0.00 177.10 175.09 2rq9 s THR 91 N -2.66 0.90 -0.11 1.60 -4.23 -0.96 0.34 115.64 110.51 2rq9 s THR 91 Ca 0.30 -2.01 -0.07 0.00 -1.18 0.00 0.00 61.69 58.72 2rq9 s THR 91 Cb -0.01 -2.45 0.04 0.00 1.34 0.00 0.00 72.50 71.42 2rq9 s THR 91 CO 0.14 -0.22 0.28 -0.31 -0.54 0.00 0.00 174.62 173.97 2rq9 s TYR 92 N -3.51 -0.36 -0.00 3.99 2.02 -1.25 -3.14 117.35 115.09 2rq9 s TYR 92 Ca 0.31 0.84 0.03 0.00 -0.37 0.00 0.00 57.07 57.88 2rq9 s TYR 92 Cb 0.07 0.09 -0.01 0.00 -0.40 0.00 0.00 41.96 41.71 2rq9 s TYR 92 CO 0.10 -0.22 -0.09 0.42 -1.57 0.00 0.00 175.55 174.19 2rq9 s ILE 93 N 0.96 0.71 0.25 2.71 1.01 -0.08 -3.09 121.20 123.67 2rq9 s ILE 93 Ca -0.07 -0.46 -0.30 0.00 0.00 0.00 0.00 60.65 59.83 2rq9 s ILE 93 Cb -0.08 -0.61 -0.09 0.00 0.01 0.00 0.00 42.46 41.69 2rq9 s ILE 93 CO -0.07 0.15 1.15 -0.55 0.00 0.00 0.00 174.94 175.62 2rq9 s SER 94 N -0.35 7.17 0.00 3.58 0.15 -1.24 0.20 113.70 123.21 2rq9 s SER 94 Ca 0.03 2.28 0.00 0.00 0.70 0.00 0.00 55.95 58.96 2rq9 s SER 94 Cb -0.04 -2.62 0.00 0.00 -1.71 0.00 0.00 66.02 61.65 2rq9 s SER 94 CO -0.00 -0.26 0.58 1.17 1.20 0.00 0.00 173.24 175.94 2rq9 n LYS 95 N 1.67 0.00 -0.57 5.44 4.81 -0.49 0.15 118.16 129.18 2rq9 n LYS 95 Ca 0.01 0.18 0.47 0.00 -0.87 0.00 0.00 58.31 58.10 2rq9 n LYS 95 Cb 0.45 -1.11 0.80 0.00 0.02 0.00 0.00 35.03 35.18 2rq9 n LYS 95 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 2rq9 h LYS 96 N 0.00 0.00 -2.18 1.64 1.57 -1.82 0.42 116.57 116.21 2rq9 h LYS 96 Ca 0.00 -0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 58.21 2rq9 h LYS 96 Cb 0.00 -0.00 -0.42 0.00 0.08 0.00 0.00 32.23 31.89 2rq9 h LYS 96 CO 0.00 0.00 -0.74 0.72 -0.57 0.00 0.00 179.45 178.86 2rq9 n HIS 97 N -4.04 3.38 -0.10 -1.35 8.25 -1.10 -4.81 115.22 115.45 2rq9 n HIS 97 Ca 0.38 -3.90 -0.15 0.00 -0.26 0.00 0.00 57.72 53.78 2rq9 n HIS 97 Cb 1.73 -0.45 -0.06 0.00 1.12 0.00 0.00 29.99 32.33 2rq9 n HIS 97 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2rq9 n ALA 98 N -0.18 0.83 0.34 -1.41 0.00 0.41 -3.66 120.51 116.84 2rq9 n ALA 98 Ca 0.30 -0.72 0.17 0.00 0.00 0.00 0.00 53.44 53.19 2rq9 n ALA 98 Cb 0.45 -0.06 0.92 0.00 0.00 0.00 0.00 19.45 20.76 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 -1.00 0.00 0.00 0.00 3.07 -1.82 1.08 114.58 115.91 2rq9 h GLU 99 Ca -0.24 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.62 2rq9 h GLU 99 Cb 1.09 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.00 2rq9 h GLU 99 CO -0.15 0.00 0.00 1.63 -1.40 0.00 0.00 179.01 179.09 2rq9 n LYS 100 N -2.94 0.45 -3.60 2.33 5.02 -1.26 -4.90 118.16 113.27 2rq9 n LYS 100 Ca -0.02 0.05 -0.23 0.00 -2.02 0.00 0.00 58.31 56.09 2rq9 n LYS 100 Cb 0.31 -1.50 0.02 0.00 -0.02 0.00 0.00 35.03 33.84 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 -1.18 -5.69 -4.54 4.39 3.02 0.37 -4.90 115.26 106.73 2rq9 n ASN 101 Ca 0.13 -0.80 -0.34 0.00 -0.03 0.00 0.00 54.58 53.54 2rq9 n ASN 101 Cb 0.14 -3.19 -0.12 0.00 -0.61 0.00 0.00 39.78 36.00 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 2.89 0.11 3.10 0.51 -1.26 -4.80 118.94 116.28 2rq9 s TRP 102 Ca 0.22 -0.09 0.10 0.00 -2.12 0.00 0.00 56.10 54.21 2rq9 s TRP 102 Cb -0.08 -1.73 -0.04 0.00 -0.81 0.00 0.00 33.47 30.81 2rq9 s TRP 102 CO 0.85 0.23 -0.25 -0.06 -0.51 0.00 0.00 176.95 177.21 2rq9 s PHE 103 N -0.60 2.13 -0.86 -1.98 0.08 -1.25 -4.09 117.98 111.41 2rq9 s PHE 103 Ca 0.09 -0.39 -0.18 0.00 0.12 0.00 0.00 56.93 56.56 2rq9 s PHE 103 Cb -0.12 -1.17 0.14 0.00 -0.57 0.00 0.00 43.02 41.30 2rq9 s PHE 103 CO 0.02 0.27 1.02 0.08 -0.10 0.00 0.00 175.22 176.51 2rq9 s VAL 104 N -1.06 4.84 0.29 -0.44 1.01 -1.18 -4.37 120.40 119.49 2rq9 s VAL 104 Ca 0.11 -1.56 0.05 0.00 0.00 0.00 0.00 61.98 60.58 2rq9 s VAL 104 Cb -0.10 -4.70 -0.06 0.00 0.00 0.00 0.00 36.38 31.52 2rq9 s VAL 104 CO 0.05 -1.40 -0.02 -0.83 0.00 0.00 0.00 175.10 172.90 2rq9 s GLY 105 N 3.41 1.89 -0.05 4.51 0.00 -1.26 -4.73 107.32 111.09 2rq9 s GLY 105 Ca 0.28 -1.95 0.03 0.00 0.00 0.00 0.00 44.72 43.08 2rq9 s GLY 105 CO -0.06 -1.82 -0.13 1.08 0.00 0.00 0.00 173.10 172.16 2rq9 s LEU 106 N -3.45 1.79 0.00 0.66 1.43 -1.26 0.71 118.68 118.56 2rq9 s LEU 106 Ca 0.31 -0.29 -0.05 0.00 -1.03 0.00 0.00 54.13 53.08 2rq9 s LEU 106 Cb 0.06 -0.81 0.07 0.00 0.03 0.00 0.00 46.19 45.54 2rq9 s LEU 106 CO 0.13 0.09 0.16 0.29 0.23 0.00 0.00 176.35 177.24 2rq9 n LYS 107 N 3.41 -1.65 0.00 1.70 5.02 0.53 -4.66 118.16 122.52 2rq9 n LYS 107 Ca -0.20 -0.27 0.11 0.00 -2.02 0.00 0.00 58.31 55.94 2rq9 n LYS 107 Cb 0.53 -0.40 0.11 0.00 -0.02 0.00 0.00 35.03 35.25 2rq9 n LYS 107 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2rq9 n LYS 108 N -2.10 0.08 -0.56 1.97 4.81 -1.26 -3.81 118.16 117.28 2rq9 n LYS 108 Ca 0.03 -0.06 0.01 0.00 -0.87 0.00 0.00 58.31 57.42 2rq9 n LYS 108 Cb 0.11 -1.50 0.22 0.00 0.02 0.00 0.00 35.03 33.88 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 -1.41 3.76 -2.24 3.14 5.15 -1.26 -4.84 115.26 117.55 2rq9 n ASN 109 Ca 0.05 -2.61 -0.18 0.00 -0.60 0.00 0.00 54.58 51.25 2rq9 n ASN 109 Cb 0.34 -0.62 0.01 0.00 -0.53 0.00 0.00 39.78 38.98 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 0.25 -0.31 3.53 8.20 0.00 -1.25 -4.99 105.19 110.62 2rq9 n GLY 110 Ca 0.19 -0.10 -0.25 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.53 3.61 0.14 1.61 0.01 -1.26 -1.70 113.70 113.58 2rq9 s SER 111 Ca 0.14 -1.21 -0.30 0.00 1.31 0.00 0.00 55.95 55.89 2rq9 s SER 111 Cb -0.06 -0.33 -0.07 0.00 0.21 0.00 0.00 66.02 65.77 2rq9 s SER 111 CO 0.17 -0.24 1.09 0.00 0.41 0.00 0.00 173.24 174.67 2rq9 s LYS 113 N 0.02 3.48 0.08 0.00 2.20 0.22 -4.48 119.74 121.27 2rq9 s LYS 113 Ca 0.51 -0.16 -0.30 0.00 -0.36 0.00 0.00 55.97 55.66 2rq9 s LYS 113 Cb -0.28 -3.88 -0.16 0.00 -1.51 0.00 0.00 37.83 32.00 2rq9 s LYS 113 CO 0.33 -0.87 0.71 0.54 -0.36 0.00 0.00 175.35 175.70 2rq9 n ARG 114 N 6.14 0.00 0.08 4.03 3.00 -1.26 -4.25 116.66 124.40 2rq9 n ARG 114 Ca -0.02 0.00 -0.12 0.00 -0.01 0.00 0.00 57.85 57.71 2rq9 n ARG 114 Cb 0.48 -1.10 -0.05 0.00 0.00 0.00 0.00 32.46 31.79 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 1.80 -0.25 -2.71 -0.13 0.00 -0.96 -1.85 103.07 98.98 2rq9 h GLY 115 Ca -0.35 0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.16 2rq9 h GLY 115 CO 0.53 -0.15 0.00 -1.55 0.00 0.00 0.00 176.54 175.36 2rq9 n PRO 116 N -5.29 0.75 -0.50 4.80 -0.04 -1.26 -2.36 135.00 131.10 2rq9 n PRO 116 Ca -0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.40 2rq9 n PRO 116 Cb 0.20 -1.12 0.00 0.00 -0.04 0.00 0.00 33.50 32.54 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 1.19 0.00 -4.48 0.54 5.12 -0.69 -5.10 116.66 113.23 2rq9 n ARG 117 Ca 0.00 -0.85 -0.25 0.00 -1.93 0.00 0.00 57.85 54.81 2rq9 n ARG 117 Cb 0.38 -0.43 -0.10 0.00 -1.16 0.00 0.00 32.46 31.15 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 2.37 0.18 0.55 -4.23 -1.00 -4.90 115.64 108.61 2rq9 s THR 118 Ca 0.00 -2.15 -0.09 0.00 -1.18 0.00 0.00 61.69 58.27 2rq9 s THR 118 Cb 0.00 -2.67 -0.01 0.00 1.34 0.00 0.00 72.50 71.16 2rq9 s THR 118 CO 0.00 -0.21 0.30 -2.28 -0.54 0.00 0.00 174.62 171.89 2rq9 s HIS 119 N -2.58 0.43 -0.37 3.99 2.46 -1.26 -4.94 115.29 113.03 2rq9 s HIS 119 Ca 0.33 -0.79 -0.25 0.00 0.47 0.00 0.00 55.06 54.82 2rq9 s HIS 119 Cb 0.01 -0.05 0.01 0.00 -0.13 0.00 0.00 32.58 32.42 2rq9 s HIS 119 CO 0.17 -0.75 0.88 -0.47 -2.47 0.00 0.00 174.74 172.11 2rq9 s TYR 120 N -3.98 3.09 0.00 3.88 5.04 -1.26 -3.52 117.35 120.59 2rq9 s TYR 120 Ca 0.19 0.70 0.00 0.00 -2.44 0.00 0.00 57.07 55.52 2rq9 s TYR 120 Cb 0.03 -3.58 0.00 0.00 0.35 0.00 0.00 41.96 38.76 2rq9 s TYR 120 CO 0.02 -0.80 0.00 0.41 -1.34 0.00 0.00 175.55 173.83 2rq9 n GLY 121 N 4.43 1.10 3.88 8.97 0.00 -1.26 -5.13 105.19 117.18 2rq9 n GLY 121 Ca 0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 2rq9 n GLY 121 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2rq9 s GLN 122 N 0.00 3.18 0.00 1.61 -0.21 -1.23 -4.96 119.66 118.05 2rq9 s GLN 122 Ca 0.00 0.51 0.28 0.00 0.02 0.00 0.00 55.36 56.17 2rq9 s GLN 122 Cb 0.00 -2.09 1.09 0.00 1.00 0.00 0.00 33.01 33.01 2rq9 s GLN 122 CO 0.00 -0.78 1.77 1.17 -2.12 0.00 0.00 175.29 175.33 2rq9 n LYS 123 N -2.82 1.56 0.04 2.91 4.81 -1.26 -3.99 118.16 119.40 2rq9 n LYS 123 Ca 0.06 -0.86 -0.03 0.00 -0.87 0.00 0.00 58.31 56.61 2rq9 n LYS 123 Cb 0.56 -1.48 -0.01 0.00 0.02 0.00 0.00 35.03 34.11 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 4.28 -0.21 -0.51 3.14 0.00 -1.93 -2.67 119.26 121.36 2rq9 h ALA 124 Ca 0.00 -0.04 0.15 0.00 0.00 0.00 0.00 54.91 55.01 2rq9 h ALA 124 Cb 0.47 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 2rq9 h ALA 124 CO 0.00 -0.20 0.48 -0.84 0.00 0.00 0.00 179.25 178.69 2rq9 h ILE 125 N -0.94 0.44 -2.80 0.00 3.07 -1.85 -3.38 117.51 112.05 2rq9 h ILE 125 Ca -0.02 0.00 -0.56 0.00 1.55 0.00 0.00 64.86 65.83 2rq9 h ILE 125 Cb 0.15 0.63 -0.04 0.00 -0.27 0.00 0.00 36.82 37.29 2rq9 h ILE 125 CO 0.03 0.00 1.20 -0.76 -1.05 0.00 0.00 178.15 177.57 2rq9 s LEU 126 N -7.73 3.49 -0.15 0.16 1.43 -1.23 -4.28 118.68 110.38 2rq9 s LEU 126 Ca -0.04 0.89 0.00 0.00 -1.03 0.00 0.00 54.13 53.95 2rq9 s LEU 126 Cb 0.17 -3.33 -0.00 0.00 0.03 0.00 0.00 46.19 43.05 2rq9 s LEU 126 CO 0.60 -1.71 -0.15 -0.36 0.23 0.00 0.00 176.35 174.96 2rq9 s PHE 127 N 6.60 2.78 -0.29 0.29 0.40 0.15 -4.00 117.98 123.91 2rq9 s PHE 127 Ca 0.69 -0.96 -0.07 0.00 -0.60 0.00 0.00 56.93 55.98 2rq9 s PHE 127 Cb -0.17 -1.88 0.00 0.00 0.51 0.00 0.00 43.02 41.49 2rq9 s PHE 127 CO 0.31 -0.42 0.09 -1.17 0.70 0.00 0.00 175.22 174.72 2rq9 s LEU 128 N 0.72 3.82 -0.15 -0.37 2.96 -0.83 -2.20 118.68 122.63 2rq9 s LEU 128 Ca -0.07 -0.61 -0.29 0.00 -0.22 0.00 0.00 54.13 52.94 2rq9 s LEU 128 Cb -0.16 -1.90 -0.02 0.00 0.50 0.00 0.00 46.19 44.61 2rq9 s LEU 128 CO 0.01 -0.17 1.27 -2.16 -1.32 0.00 0.00 176.35 173.98 2rq9 s PRO 129 N 1.53 4.24 -0.13 0.98 0.04 -1.25 -1.13 135.00 139.29 2rq9 s PRO 129 Ca 0.03 1.68 -0.11 0.00 0.04 0.00 0.00 61.00 62.64 2rq9 s PRO 129 Cb -0.17 -3.75 -0.05 0.00 0.04 0.00 0.00 34.50 30.57 2rq9 s PRO 129 CO 0.03 -0.69 0.23 -0.51 0.04 0.00 0.00 177.00 176.10 2rq9 s LEU 130 N 3.39 4.32 -0.56 -3.56 2.01 0.27 -4.82 118.68 119.72 2rq9 s LEU 130 Ca 0.55 0.51 -0.28 0.00 0.01 0.00 0.00 54.13 54.93 2rq9 s LEU 130 Cb -0.22 -2.25 0.01 0.00 0.01 0.00 0.00 46.19 43.73 2rq9 s LEU 130 CO 0.16 0.25 1.50 -2.16 1.01 0.00 0.00 176.35 177.11 2rq9 s PRO 131 N -0.25 3.19 0.00 1.29 0.04 -1.26 -0.44 135.00 137.56 2rq9 s PRO 131 Ca 0.15 0.50 0.24 0.00 0.04 0.00 0.00 61.00 61.94 2rq9 s PRO 131 Cb -0.13 -4.17 0.43 0.00 0.04 0.00 0.00 34.50 30.66 2rq9 s PRO 131 CO 0.04 -2.07 1.39 1.55 0.04 0.00 0.00 177.00 177.96 2rq9 n VAL 132 N 6.92 0.15 -2.65 -0.36 3.14 -1.20 -4.59 118.33 119.73 2rq9 n VAL 132 Ca 0.14 -0.52 -0.03 0.00 -2.96 0.00 0.00 64.34 60.97 2rq9 n VAL 132 Cb 0.49 1.12 0.10 0.00 -1.06 0.00 0.00 33.84 34.50 2rq9 n VAL 132 CO 0.00 0.00 0.00 -0.24 -6.46 0.00 0.00 176.83 170.13 2rq9 n SER 133 N 1.13 -1.04 -3.13 6.55 2.88 -1.24 -5.00 113.62 113.77 2rq9 n SER 133 Ca 0.16 -1.55 -0.07 0.00 -1.33 0.00 0.00 58.87 56.08 2rq9 n SER 133 Cb 0.54 0.82 0.07 0.00 -0.75 0.00 0.00 64.21 64.89 2rq9 n SER 133 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2rq9 n SER 134 N 0.91 -2.03 -1.27 -3.46 3.41 -1.26 -4.32 113.62 105.60 2rq9 n SER 134 Ca -0.04 -0.19 -0.02 0.00 -0.26 0.00 0.00 58.87 58.35 2rq9 n SER 134 Cb 0.75 -0.28 -0.00 0.00 -0.26 0.00 0.00 64.21 64.42 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 -2.26 -0.22 0.00 4.04 9.92 -1.26 -4.93 116.55 121.85 2rq9 n ASP 135 Ca 0.03 -1.26 0.00 0.00 -0.53 0.00 0.00 54.79 53.04 2rq9 n ASP 135 Cb 0.13 0.39 0.00 0.00 -0.64 0.00 0.00 41.12 41.00 2rq9 n ASP 135 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 2rq9 n LEU 136 N 0.00 0.68 -3.10 0.64 4.32 -1.26 -5.05 117.00 113.24 2rq9 n LEU 136 Ca -0.00 0.03 -0.14 0.00 -0.02 0.00 0.00 56.01 55.88 2rq9 n LEU 136 Cb 0.08 -0.10 0.01 0.00 -1.62 0.00 0.00 43.42 41.79 2rq9 n LEU 136 CO 0.04 -0.10 0.02 1.21 -1.22 0.00 0.00 177.39 177.34 2rq9 n GLU 137 N -1.45 -2.02 -0.05 3.23 0.00 -1.26 -4.98 120.64 114.11 2rq9 n GLU 137 Ca 0.00 1.76 -0.02 0.00 0.00 0.00 0.00 57.16 58.90 2rq9 n GLU 137 Cb 0.00 -4.71 -0.01 0.00 0.00 0.00 0.00 31.44 26.72 2rq9 n GLU 137 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.13 178.38 2rq9 h HIS 138 N 1.54 0.00 0.00 4.31 2.76 -2.01 -3.49 115.15 118.26 2rq9 h HIS 138 Ca -0.16 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.01 2rq9 h HIS 138 Cb 1.11 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.07 2rq9 h HIS 138 CO 0.11 0.00 0.00 -2.39 -1.30 0.00 0.00 177.93 174.35 2rq9 n HIS 139 N -4.07 -2.25 0.19 5.26 1.44 -1.26 -5.05 115.22 109.47 2rq9 n HIS 139 Ca -0.03 0.28 0.00 0.00 -2.01 0.00 0.00 57.72 55.95 2rq9 n HIS 139 Cb 0.13 0.98 0.00 0.00 0.12 0.00 0.00 29.99 31.21 2rq9 n HIS 139 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 2rq9 n HIS 140 N -2.57 -3.66 -3.65 -1.40 -0.00 -1.26 -5.14 115.22 97.54 2rq9 n HIS 140 Ca 0.00 1.05 -0.02 0.00 0.46 0.00 0.00 57.72 59.21 2rq9 n HIS 140 Cb 0.00 2.39 -0.07 0.00 -0.12 0.00 0.00 29.99 32.19 2rq9 n HIS 140 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2rq9 s HIS 141 N -1.93 -0.38 -0.03 1.57 2.46 -1.26 -5.12 115.29 110.60 2rq9 s HIS 141 Ca 0.00 0.79 -0.28 0.00 0.47 0.00 0.00 55.06 56.03 2rq9 s HIS 141 Cb 0.00 0.28 -0.03 0.00 -0.13 0.00 0.00 32.58 32.70 2rq9 s HIS 141 CO 0.00 -0.19 0.92 -1.58 -2.47 0.00 0.00 174.74 171.42 2rq9 s HIS 142 N 1.01 3.62 0.00 3.88 2.46 -1.26 -5.15 115.29 119.85 2rq9 s HIS 142 Ca -0.06 1.58 0.00 0.00 0.47 0.00 0.00 55.06 57.05 2rq9 s HIS 142 Cb -0.04 -3.06 0.00 0.00 -0.13 0.00 0.00 32.58 29.35 2rq9 s HIS 142 CO -0.13 -0.03 0.20 0.72 -2.47 0.00 0.00 174.74 173.04