#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 -0.25 0.13 7.83 0.01 -1.26 -5.08 114.94 116.33 2rq9 s ASN 2 Ca 0.00 -0.49 0.01 0.00 -0.71 0.00 0.00 52.86 51.68 2rq9 s ASN 2 Cb 0.00 1.37 -0.04 0.00 0.41 0.00 0.00 41.25 42.98 2rq9 s ASN 2 CO 0.00 -0.30 -0.03 -0.47 -1.51 0.00 0.00 177.10 174.79 2rq9 s TYR 3 N 2.34 1.02 0.00 2.20 5.04 -1.26 -5.08 117.35 121.61 2rq9 s TYR 3 Ca 0.12 -0.99 0.00 0.00 -2.44 0.00 0.00 57.07 53.76 2rq9 s TYR 3 Cb -0.11 -0.58 0.00 0.00 0.35 0.00 0.00 41.96 41.62 2rq9 s TYR 3 CO -0.22 -0.21 0.00 1.63 -1.34 0.00 0.00 175.55 175.41 2rq9 n LYS 4 N -0.13 0.00 -3.19 4.97 5.02 -1.26 -4.55 118.16 119.02 2rq9 n LYS 4 Ca -0.09 0.00 -0.21 0.00 -2.02 0.00 0.00 58.31 55.99 2rq9 n LYS 4 Cb 0.62 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.58 2rq9 n LYS 4 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2rq9 n LYS 5 N -1.35 1.00 -1.70 1.97 4.81 -1.26 -4.86 118.16 116.76 2rq9 n LYS 5 Ca 0.00 -3.41 -0.31 0.00 -0.87 0.00 0.00 58.31 53.71 2rq9 n LYS 5 Cb 0.00 -1.54 0.04 0.00 0.02 0.00 0.00 35.03 33.55 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 -1.95 3.06 0.18 1.64 0.04 -1.26 -4.68 135.00 132.02 2rq9 s PRO 6 Ca 0.38 1.01 -0.03 0.00 0.04 0.00 0.00 61.00 62.40 2rq9 s PRO 6 Cb 0.27 -2.00 -0.03 0.00 0.04 0.00 0.00 34.50 32.77 2rq9 s PRO 6 CO -0.09 -1.01 0.17 0.21 0.04 0.00 0.00 177.00 176.32 2rq9 s LYS 7 N -4.80 1.14 -0.00 4.56 2.47 -0.15 -3.93 119.74 119.03 2rq9 s LYS 7 Ca 0.59 -1.46 0.07 0.00 -1.56 0.00 0.00 55.97 53.61 2rq9 s LYS 7 Cb -0.14 0.30 -0.02 0.00 -1.46 0.00 0.00 37.83 36.51 2rq9 s LYS 7 CO 0.50 -0.38 -0.23 -0.51 0.16 0.00 0.00 175.35 174.90 2rq9 s LEU 8 N -3.08 2.07 -0.53 5.43 1.43 0.17 -2.47 118.68 121.70 2rq9 s LEU 8 Ca 0.29 -0.44 -0.20 0.00 -1.03 0.00 0.00 54.13 52.76 2rq9 s LEU 8 Cb 0.06 -1.14 0.06 0.00 0.03 0.00 0.00 46.19 45.20 2rq9 s LEU 8 CO 0.07 0.26 0.71 -0.76 0.23 0.00 0.00 176.35 176.85 2rq9 s LEU 9 N -0.67 4.85 0.18 1.79 2.01 -1.26 0.11 118.68 125.69 2rq9 s LEU 9 Ca 0.09 -0.90 -0.27 0.00 0.01 0.00 0.00 54.13 53.05 2rq9 s LEU 9 Cb -0.09 -2.49 -0.08 0.00 0.01 0.00 0.00 46.19 43.55 2rq9 s LEU 9 CO -0.00 -1.01 0.85 -0.47 1.01 0.00 0.00 176.35 176.73 2rq9 s TYR 10 N 2.93 3.92 -0.71 0.29 5.04 0.59 -3.15 117.35 126.26 2rq9 s TYR 10 Ca 0.17 1.75 0.05 0.00 -2.44 0.00 0.00 57.07 56.60 2rq9 s TYR 10 Cb -0.19 -2.88 0.19 0.00 0.35 0.00 0.00 41.96 39.44 2rq9 s TYR 10 CO 0.12 0.45 0.59 0.00 -1.34 0.00 0.00 175.55 175.37 2rq9 n SER 12 N 1.71 0.21 -0.17 0.00 2.88 -1.26 0.20 113.62 117.20 2rq9 n SER 12 Ca 0.22 1.29 -0.04 0.00 -1.33 0.00 0.00 58.87 59.01 2rq9 n SER 12 Cb 0.36 -0.63 -0.04 0.00 -0.75 0.00 0.00 64.21 63.15 2rq9 n SER 12 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 2rq9 n ASN 13 N -4.59 -0.42 -0.58 -3.46 5.15 -0.44 -2.91 115.26 108.00 2rq9 n ASN 13 Ca 0.36 1.23 0.06 0.00 -0.60 0.00 0.00 54.58 55.63 2rq9 n ASN 13 Cb 1.38 -0.35 0.12 0.00 -0.53 0.00 0.00 39.78 40.39 2rq9 n ASN 13 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2rq9 n GLY 14 N -1.10 3.53 3.69 8.20 0.00 0.44 -4.88 105.19 115.07 2rq9 n GLY 14 Ca 0.01 -0.95 -0.24 0.00 0.00 0.00 0.00 46.02 44.84 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 -0.74 -1.16 3.23 -0.02 0.00 0.55 -4.91 105.19 102.15 2rq9 n GLY 15 Ca 0.13 0.66 -0.13 0.00 0.00 0.00 0.00 46.02 46.67 2rq9 n GLY 15 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2rq9 s HIS 16 N -2.83 1.18 -0.02 1.61 3.76 -1.19 -4.54 115.29 113.25 2rq9 s HIS 16 Ca 0.04 -0.99 0.06 0.00 -0.15 0.00 0.00 55.06 54.02 2rq9 s HIS 16 Cb -0.00 -0.67 -0.02 0.00 1.11 0.00 0.00 32.58 32.99 2rq9 s HIS 16 CO 0.88 -0.19 -0.20 -0.06 -0.85 0.00 0.00 174.74 174.32 2rq9 s PHE 17 N -3.63 2.50 -0.41 1.40 0.08 0.16 -1.04 117.98 117.04 2rq9 s PHE 17 Ca 0.22 -0.30 -0.29 0.00 0.12 0.00 0.00 56.93 56.68 2rq9 s PHE 17 Cb 0.06 -1.54 0.02 0.00 -0.57 0.00 0.00 43.02 40.99 2rq9 s PHE 17 CO 0.03 0.10 1.15 -1.17 -0.10 0.00 0.00 175.22 175.23 2rq9 s LEU 18 N -0.80 3.75 0.12 -0.37 2.96 -1.19 -0.89 118.68 122.26 2rq9 s LEU 18 Ca 0.11 0.75 0.09 0.00 -0.22 0.00 0.00 54.13 54.86 2rq9 s LEU 18 Cb -0.10 -3.55 -0.04 0.00 0.50 0.00 0.00 46.19 43.00 2rq9 s LEU 18 CO 0.01 -1.13 -0.18 0.00 -1.32 0.00 0.00 176.35 173.72 2rq9 s ARG 19 N 4.21 1.77 -0.24 1.98 1.70 -1.06 -4.68 118.95 122.64 2rq9 s ARG 19 Ca 0.49 -1.20 0.01 0.00 -0.47 0.00 0.00 55.73 54.57 2rq9 s ARG 19 Cb -0.10 -2.10 0.06 0.00 -0.57 0.00 0.00 34.95 32.24 2rq9 s ARG 19 CO 0.26 0.48 -0.07 0.42 -1.08 0.00 0.00 175.30 175.31 2rq9 s ILE 20 N -1.18 1.71 0.62 4.99 1.01 -1.26 -3.03 121.20 124.06 2rq9 s ILE 20 Ca 0.18 -1.35 -0.13 0.00 0.00 0.00 0.00 60.65 59.35 2rq9 s ILE 20 Cb -0.10 -1.93 -0.03 0.00 0.01 0.00 0.00 42.46 40.40 2rq9 s ILE 20 CO 0.10 -0.09 1.04 -0.76 0.00 0.00 0.00 174.94 175.23 2rq9 s LEU 21 N 1.31 3.36 0.00 2.97 1.43 0.11 -4.82 118.68 123.04 2rq9 s LEU 21 Ca -0.06 1.63 0.24 0.00 -1.03 0.00 0.00 54.13 54.90 2rq9 s LEU 21 Cb -0.19 -4.50 1.40 0.00 0.03 0.00 0.00 46.19 42.93 2rq9 s LEU 21 CO -0.06 -1.08 1.78 -0.81 0.23 0.00 0.00 176.35 176.40 2rq9 n PRO 22 N -2.43 0.75 -0.39 1.29 -0.04 -1.26 -2.05 135.00 130.87 2rq9 n PRO 22 Ca 0.07 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.65 2rq9 n PRO 22 Cb 0.53 -1.49 0.32 0.00 -0.04 0.00 0.00 33.50 32.83 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 -0.99 4.01 -1.78 3.54 9.92 -1.26 -4.93 116.55 125.06 2rq9 n ASP 23 Ca 0.18 -2.05 -0.07 0.00 -0.53 0.00 0.00 54.79 52.32 2rq9 n ASP 23 Cb 0.08 -0.49 0.03 0.00 -0.64 0.00 0.00 41.12 40.10 2rq9 n ASP 23 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2rq9 n GLY 24 N 1.55 0.24 3.20 0.44 0.00 -0.87 -5.06 105.19 104.69 2rq9 n GLY 24 Ca 0.24 -0.30 -0.24 0.00 0.00 0.00 0.00 46.02 45.73 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 -3.12 1.43 -0.08 2.61 2.01 -1.23 -4.61 115.64 112.65 2rq9 s THR 25 Ca 0.07 -1.02 -0.01 0.00 0.31 0.00 0.00 61.69 61.03 2rq9 s THR 25 Cb -0.03 -1.24 0.03 0.00 0.01 0.00 0.00 72.50 71.26 2rq9 s THR 25 CO 0.26 0.20 0.00 -0.69 -0.69 0.00 0.00 174.62 173.70 2rq9 s VAL 26 N -0.71 0.40 0.13 3.82 1.01 -1.25 0.06 120.40 123.86 2rq9 s VAL 26 Ca 0.06 0.08 -0.10 0.00 0.00 0.00 0.00 61.98 62.02 2rq9 s VAL 26 Cb -0.08 -0.57 -0.00 0.00 0.00 0.00 0.00 36.38 35.73 2rq9 s VAL 26 CO 0.01 0.24 0.26 -1.81 0.00 0.00 0.00 175.10 173.80 2rq9 s ASP 27 N 1.96 0.04 0.06 3.32 1.01 -1.17 -4.77 116.67 117.13 2rq9 s ASP 27 Ca 0.05 -0.72 -0.26 0.00 0.71 0.00 0.00 52.55 52.34 2rq9 s ASP 27 Cb -0.12 0.40 -0.06 0.00 1.01 0.00 0.00 42.92 44.15 2rq9 s ASP 27 CO -0.05 -0.83 0.79 -0.83 0.21 0.00 0.00 175.17 174.46 2rq9 s GLY 28 N -2.91 2.83 -0.01 0.21 0.00 -1.26 -2.55 107.32 103.63 2rq9 s GLY 28 Ca 0.10 0.33 0.01 0.00 0.00 0.00 0.00 44.72 45.16 2rq9 s GLY 28 CO -0.06 1.12 -0.03 -1.08 0.00 0.00 0.00 173.10 173.06 2rq9 s THR 29 N -0.15 0.29 -0.72 0.90 -1.32 -0.07 -4.78 115.64 109.79 2rq9 s THR 29 Ca 0.39 -0.10 0.02 0.00 -1.21 0.00 0.00 61.69 60.80 2rq9 s THR 29 Cb -0.21 -0.29 0.35 0.00 -1.51 0.00 0.00 72.50 70.84 2rq9 s THR 29 CO 0.24 0.11 1.44 -1.14 -2.21 0.00 0.00 174.62 173.06 2rq9 n ARG 30 N 3.36 3.79 -3.29 7.08 0.63 -1.26 0.39 116.66 127.36 2rq9 n ARG 30 Ca -0.17 -4.47 -0.20 0.00 -0.92 0.00 0.00 57.85 52.09 2rq9 n ARG 30 Cb 0.56 -2.31 -0.08 0.00 0.45 0.00 0.00 32.46 31.08 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 -2.44 1.03 0.40 6.15 -1.08 -1.26 -4.99 116.67 114.48 2rq9 s ASP 31 Ca 0.47 -2.18 0.27 0.00 -0.52 0.00 0.00 52.55 50.59 2rq9 s ASP 31 Cb 0.31 0.33 1.42 0.00 -1.46 0.00 0.00 42.92 43.52 2rq9 s ASP 31 CO -0.20 -0.20 1.56 0.54 0.52 0.00 0.00 175.17 177.39 2rq9 n ARG 32 N 3.54 -0.05 -0.31 4.34 3.00 -1.26 0.92 116.66 126.83 2rq9 n ARG 32 Ca 0.19 1.31 0.26 0.00 -0.01 0.00 0.00 57.85 59.60 2rq9 n ARG 32 Cb 0.47 -2.47 0.49 0.00 0.00 0.00 0.00 32.46 30.95 2rq9 n ARG 32 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 2rq9 n SER 33 N -4.97 0.21 -4.71 0.55 2.88 -1.26 -4.39 113.62 101.92 2rq9 n SER 33 Ca 0.39 1.60 -0.61 0.00 -1.33 0.00 0.00 58.87 58.92 2rq9 n SER 33 Cb 1.43 -0.72 -0.08 0.00 -0.75 0.00 0.00 64.21 64.08 2rq9 n SER 33 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2rq9 n ASP 34 N -5.24 1.88 -1.82 -3.46 2.03 0.26 -4.79 116.55 105.42 2rq9 n ASP 34 Ca 0.32 1.12 -0.14 0.00 0.52 0.00 0.00 54.79 56.62 2rq9 n ASP 34 Cb 1.10 -1.05 0.15 0.00 -0.72 0.00 0.00 41.12 40.60 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 4.66 2.20 0.00 -0.67 1.13 -1.26 -3.95 117.38 119.49 2rq9 n GLN 35 Ca 0.28 -2.16 0.00 0.00 -1.94 0.00 0.00 57.00 53.17 2rq9 n GLN 35 Cb 0.06 -1.87 0.00 0.00 0.11 0.00 0.00 30.24 28.54 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 -0.49 0.00 -0.12 1.08 8.25 -1.26 -4.65 115.22 118.03 2rq9 n HIS 36 Ca 0.39 0.00 0.27 0.00 -0.26 0.00 0.00 57.72 58.12 2rq9 n HIS 36 Cb 1.27 0.01 0.67 0.00 1.12 0.00 0.00 29.99 33.07 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 0.28 -0.22 1.59 3.07 -1.84 -3.38 117.51 117.02 2rq9 h ILE 37 Ca 0.00 0.00 -0.12 0.00 1.55 0.00 0.00 64.86 66.29 2rq9 h ILE 37 Cb 0.89 0.41 -0.04 0.00 -0.27 0.00 0.00 36.82 37.80 2rq9 h ILE 37 CO 0.00 0.00 0.71 0.00 -1.05 0.00 0.00 178.15 177.81 2rq9 n GLN 38 N -3.73 0.36 -3.99 0.16 6.02 -1.26 -4.76 117.38 110.17 2rq9 n GLN 38 Ca 0.17 -0.57 -0.35 0.00 -0.01 0.00 0.00 57.00 56.24 2rq9 n GLN 38 Cb 1.05 -2.76 -0.06 0.00 1.02 0.00 0.00 30.24 29.48 2rq9 n GLN 38 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2rq9 s LEU 39 N 9.75 4.19 -0.31 1.08 1.43 -1.03 -2.54 118.68 131.24 2rq9 s LEU 39 Ca 1.05 0.32 -0.09 0.00 -1.03 0.00 0.00 54.13 54.38 2rq9 s LEU 39 Cb -0.37 -2.28 0.00 0.00 0.03 0.00 0.00 46.19 43.57 2rq9 s LEU 39 CO 0.25 0.33 0.14 0.00 0.23 0.00 0.00 176.35 177.29 2rq9 s GLN 40 N -1.49 3.22 0.05 1.70 -2.07 -0.04 -0.98 119.66 120.06 2rq9 s GLN 40 Ca 0.21 -0.79 -0.23 0.00 -1.82 0.00 0.00 55.36 52.72 2rq9 s GLN 40 Cb -0.12 -3.54 -0.06 0.00 -1.09 0.00 0.00 33.01 28.20 2rq9 s GLN 40 CO 0.11 -0.46 0.69 -0.51 -1.32 0.00 0.00 175.29 173.81 2rq9 s LEU 41 N 1.58 4.47 0.06 2.60 1.02 -1.26 -2.91 118.68 124.24 2rq9 s LEU 41 Ca 0.04 1.38 -0.01 0.00 0.02 0.00 0.00 54.13 55.55 2rq9 s LEU 41 Cb -0.17 -3.11 -0.04 0.00 0.02 0.00 0.00 46.19 42.88 2rq9 s LEU 41 CO 0.05 0.10 -0.02 -0.44 0.02 0.00 0.00 176.35 176.06 2rq9 s SER 42 N -0.40 0.50 -0.13 2.29 0.01 0.78 -4.94 113.70 111.81 2rq9 s SER 42 Ca 0.35 -1.02 0.02 0.00 1.31 0.00 0.00 55.95 56.61 2rq9 s SER 42 Cb -0.20 0.20 0.01 0.00 0.21 0.00 0.00 66.02 66.25 2rq9 s SER 42 CO 0.21 -0.61 -0.19 0.00 0.41 0.00 0.00 173.24 173.07 2rq9 s ALA 43 N -3.92 2.01 -0.13 1.44 0.00 -1.26 0.19 121.76 120.09 2rq9 s ALA 43 Ca 0.09 -0.94 -0.01 0.00 0.00 0.00 0.00 51.96 51.10 2rq9 s ALA 43 Cb 0.08 -0.93 -0.08 0.00 0.00 0.00 0.00 23.12 22.19 2rq9 s ALA 43 CO -0.09 -0.06 -0.13 -1.91 0.00 0.00 0.00 175.76 173.58 2rq9 n GLU 44 N 4.14 0.32 -4.38 0.00 2.13 -1.23 -4.98 120.64 116.65 2rq9 n GLU 44 Ca -0.19 0.09 -0.19 0.00 0.66 0.00 0.00 57.16 57.52 2rq9 n GLU 44 Cb 0.51 -1.20 -0.10 0.00 0.27 0.00 0.00 31.44 30.92 2rq9 n GLU 44 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 2rq9 s SER 45 N -5.44 2.44 0.11 4.31 0.01 -1.25 -5.05 113.70 108.83 2rq9 s SER 45 Ca -0.18 -1.15 -0.31 0.00 1.31 0.00 0.00 55.95 55.62 2rq9 s SER 45 Cb 0.05 -0.11 -0.10 0.00 0.21 0.00 0.00 66.02 66.07 2rq9 s SER 45 CO 0.29 -0.34 1.73 0.54 0.41 0.00 0.00 173.24 175.86 2rq9 s VAL 46 N -3.12 2.72 0.00 3.43 0.11 -1.26 -0.55 120.40 121.73 2rq9 s VAL 46 Ca 0.27 0.27 0.00 0.00 -2.93 0.00 0.00 61.98 59.58 2rq9 s VAL 46 Cb 0.03 -3.17 0.00 0.00 -1.53 0.00 0.00 36.38 31.71 2rq9 s VAL 46 CO 0.09 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.48 2rq9 n GLY 47 N 4.08 0.52 3.44 6.54 0.00 -1.26 -4.98 105.19 113.52 2rq9 n GLY 47 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.47 2.38 0.10 1.61 2.02 0.28 -0.92 118.70 123.71 2rq9 s GLU 48 Ca 0.00 -0.77 0.01 0.00 0.02 0.00 0.00 54.97 54.23 2rq9 s GLU 48 Cb 0.00 -2.29 -0.04 0.00 0.10 0.00 0.00 34.13 31.90 2rq9 s GLU 48 CO 0.00 0.60 -0.03 0.14 0.02 0.00 0.00 175.26 175.99 2rq9 s VAL 49 N -0.73 0.52 -0.03 2.63 -7.23 -0.27 -3.51 120.40 111.80 2rq9 s VAL 49 Ca 0.11 -1.91 0.04 0.00 -1.81 0.00 0.00 61.98 58.41 2rq9 s VAL 49 Cb -0.10 -1.76 -0.01 0.00 0.56 0.00 0.00 36.38 35.07 2rq9 s VAL 49 CO 0.01 -0.79 -0.15 -0.31 -0.31 0.00 0.00 175.10 173.54 2rq9 s TYR 50 N -3.74 1.48 -0.13 2.82 2.02 0.51 -2.27 117.35 118.03 2rq9 s TYR 50 Ca 0.14 -0.36 0.02 0.00 -0.37 0.00 0.00 57.07 56.49 2rq9 s TYR 50 Cb 0.06 -0.99 0.02 0.00 -0.40 0.00 0.00 41.96 40.65 2rq9 s TYR 50 CO -0.04 -0.10 -0.17 0.42 -1.57 0.00 0.00 175.55 174.09 2rq9 s ILE 51 N -0.10 1.74 0.02 2.71 1.01 -1.26 -0.15 121.20 125.17 2rq9 s ILE 51 Ca 0.00 -0.77 -0.02 0.00 0.00 0.00 0.00 60.65 59.86 2rq9 s ILE 51 Cb -0.09 -1.58 -0.02 0.00 0.01 0.00 0.00 42.46 40.78 2rq9 s ILE 51 CO 0.01 0.49 0.00 -0.75 0.00 0.00 0.00 174.94 174.69 2rq9 s LYS 52 N 1.09 0.37 -0.01 2.79 2.20 -1.15 0.19 119.74 125.23 2rq9 s LYS 52 Ca -0.03 -0.62 -0.30 0.00 -0.36 0.00 0.00 55.97 54.66 2rq9 s LYS 52 Cb -0.14 0.14 -0.03 0.00 -1.51 0.00 0.00 37.83 36.28 2rq9 s LYS 52 CO -0.05 -0.07 1.01 -1.12 -0.36 0.00 0.00 175.35 174.76 2rq9 s SER 53 N -1.58 7.31 0.00 1.43 0.01 -0.02 -0.86 113.70 120.00 2rq9 s SER 53 Ca -0.14 1.69 0.30 0.00 1.31 0.00 0.00 55.95 59.12 2rq9 s SER 53 Cb -0.08 -2.57 1.50 0.00 0.21 0.00 0.00 66.02 65.08 2rq9 s SER 53 CO -0.01 -0.31 2.01 0.35 0.41 0.00 0.00 173.24 175.68 2rq9 n THR 54 N 4.00 0.00 -0.09 1.44 -2.24 -1.05 -1.41 114.28 114.92 2rq9 n THR 54 Ca 0.07 -0.08 -0.11 0.00 -2.27 0.00 0.00 64.05 61.66 2rq9 n THR 54 Cb 0.50 -0.15 -0.04 0.00 -2.10 0.00 0.00 70.33 68.54 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 -0.72 0.53 -0.07 -0.78 4.07 -1.26 -4.77 120.64 117.63 2rq9 n GLU 55 Ca 0.20 0.24 -0.13 0.00 -0.06 0.00 0.00 57.16 57.41 2rq9 n GLU 55 Cb 0.22 -1.46 -0.10 0.00 -0.06 0.00 0.00 31.44 30.04 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 -1.00 1.24 0.00 6.31 1.35 -1.88 -3.49 112.91 115.44 2rq9 h THR 56 Ca -0.07 -2.03 0.00 0.00 -0.55 0.00 0.00 66.41 63.76 2rq9 h THR 56 Cb 1.03 2.44 0.00 0.00 -1.73 0.00 0.00 68.15 69.89 2rq9 h THR 56 CO -0.04 0.42 0.00 0.61 -0.25 0.00 0.00 175.52 176.26 2rq9 n GLY 57 N 1.60 0.78 3.11 5.82 0.00 -0.50 -5.05 105.19 110.95 2rq9 n GLY 57 Ca -0.13 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.65 2rq9 n GLY 57 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2rq9 s GLN 58 N 0.45 1.48 0.25 1.61 -0.21 -1.25 -4.88 119.66 117.11 2rq9 s GLN 58 Ca 0.00 -0.53 -0.28 0.00 0.02 0.00 0.00 55.36 54.57 2rq9 s GLN 58 Cb 0.00 -1.33 -0.09 0.00 1.00 0.00 0.00 33.01 32.59 2rq9 s GLN 58 CO 0.00 0.24 0.92 0.71 -2.12 0.00 0.00 175.29 175.04 2rq9 s TYR 59 N -0.03 3.90 -0.30 0.91 2.02 -1.02 -0.84 117.35 122.00 2rq9 s TYR 59 Ca -0.01 1.84 -0.29 0.00 -0.37 0.00 0.00 57.07 58.24 2rq9 s TYR 59 Cb -0.09 -2.93 0.01 0.00 -0.40 0.00 0.00 41.96 38.54 2rq9 s TYR 59 CO 0.01 0.41 1.22 -1.17 -1.57 0.00 0.00 175.55 174.45 2rq9 s LEU 60 N -1.40 3.92 0.09 -1.29 2.96 0.50 -0.80 118.68 122.66 2rq9 s LEU 60 Ca 0.43 1.19 0.04 0.00 -0.22 0.00 0.00 54.13 55.57 2rq9 s LEU 60 Cb -0.24 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 42.88 2rq9 s LEU 60 CO 0.29 -0.99 -0.11 0.00 -1.32 0.00 0.00 176.35 174.22 2rq9 s ALA 61 N 4.06 1.11 -0.12 5.97 0.00 -0.15 -4.37 121.76 128.26 2rq9 s ALA 61 Ca 0.52 -1.11 -0.04 0.00 0.00 0.00 0.00 51.96 51.33 2rq9 s ALA 61 Cb -0.16 -0.01 -0.03 0.00 0.00 0.00 0.00 23.12 22.92 2rq9 s ALA 61 CO 0.20 0.02 0.01 1.41 0.00 0.00 0.00 175.76 177.40 2rq9 s MET 62 N -2.43 3.34 0.14 0.00 1.75 -1.17 -0.24 119.30 120.69 2rq9 s MET 62 Ca 0.03 -0.41 -0.01 0.00 -1.25 0.00 0.00 55.69 54.06 2rq9 s MET 62 Cb -0.05 -2.92 0.03 0.00 2.84 0.00 0.00 34.83 34.73 2rq9 s MET 62 CO 0.01 0.53 0.20 -0.25 -0.65 0.00 0.00 175.02 174.86 2rq9 n ASP 63 N 2.69 0.22 0.08 1.11 8.00 -0.37 -4.97 116.55 123.31 2rq9 n ASP 63 Ca -0.18 -1.20 -0.04 0.00 0.71 0.00 0.00 54.79 54.09 2rq9 n ASP 63 Cb 0.53 -0.13 -0.07 0.00 -0.02 0.00 0.00 41.12 41.42 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 -0.53 1.39 0.00 -3.53 1.35 -2.00 -3.07 112.91 106.52 2rq9 h THR 64 Ca -0.07 -2.99 0.00 0.00 -0.55 0.00 0.00 66.41 62.81 2rq9 h THR 64 Cb 0.23 2.68 0.00 0.00 -1.73 0.00 0.00 68.15 69.33 2rq9 h THR 64 CO 0.07 0.79 0.00 0.47 -0.25 0.00 0.00 175.52 176.60 2rq9 n ASP 65 N -3.29 0.00 0.00 5.36 9.92 -1.26 -4.80 116.55 122.48 2rq9 n ASP 65 Ca -0.00 0.47 0.00 0.00 -0.53 0.00 0.00 54.79 54.73 2rq9 n ASP 65 Cb 0.88 -0.48 0.00 0.00 -0.64 0.00 0.00 41.12 40.87 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 -0.38 1.00 3.88 0.44 0.00 -1.16 -4.68 105.19 104.28 2rq9 n GLY 66 Ca 0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 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 3.77 -0.05 0.99 2.01 -1.26 -1.58 118.68 122.57 2rq9 s LEU 67 Ca 0.00 1.13 -0.11 0.00 0.01 0.00 0.00 54.13 55.16 2rq9 s LEU 67 Cb 0.00 -4.03 -0.05 0.00 0.01 0.00 0.00 46.19 42.12 2rq9 s LEU 67 CO 0.00 -0.45 0.29 -0.76 1.01 0.00 0.00 176.35 176.44 2rq9 s LEU 68 N -4.03 4.43 -0.00 1.79 1.43 -1.26 -1.23 118.68 119.80 2rq9 s LEU 68 Ca 0.51 0.73 -0.13 0.00 -1.03 0.00 0.00 54.13 54.22 2rq9 s LEU 68 Cb -0.10 -2.39 0.02 0.00 0.03 0.00 0.00 46.19 43.74 2rq9 s LEU 68 CO 0.34 0.35 0.26 -0.72 0.23 0.00 0.00 176.35 176.82 2rq9 s TYR 69 N -1.08 -0.11 -0.13 0.29 -0.85 0.67 -3.89 117.35 112.25 2rq9 s TYR 69 Ca 0.21 0.11 -0.21 0.00 -0.52 0.00 0.00 57.07 56.65 2rq9 s TYR 69 Cb -0.14 0.06 -0.03 0.00 0.38 0.00 0.00 41.96 42.22 2rq9 s TYR 69 CO 0.10 -0.38 0.63 0.20 -1.52 0.00 0.00 175.55 174.57 2rq9 s GLY 70 N -1.47 2.36 -0.01 5.49 0.00 -1.26 -0.97 107.32 111.45 2rq9 s GLY 70 Ca -0.12 -0.08 -0.14 0.00 0.00 0.00 0.00 44.72 44.37 2rq9 s GLY 70 CO 0.02 1.14 0.39 -0.45 0.00 0.00 0.00 173.10 174.20 2rq9 s SER 71 N 0.90 6.78 0.27 1.64 0.15 0.02 -4.85 113.70 118.61 2rq9 s SER 71 Ca 0.32 0.93 -0.02 0.00 0.70 0.00 0.00 55.95 57.87 2rq9 s SER 71 Cb -0.16 -2.24 0.38 0.00 -1.71 0.00 0.00 66.02 62.28 2rq9 s SER 71 CO 0.13 0.32 1.82 -0.61 1.20 0.00 0.00 173.24 176.11 2rq9 h GLN 72 N 4.80 0.87 -6.28 5.44 4.15 -1.90 -2.70 115.11 119.48 2rq9 h GLN 72 Ca -0.51 -0.17 -0.62 0.00 0.77 0.00 0.00 58.65 58.12 2rq9 h GLN 72 Cb 1.22 -0.13 -0.15 0.00 0.21 0.00 0.00 27.48 28.63 2rq9 h GLN 72 CO 0.62 0.77 -0.77 0.95 -1.93 0.00 0.00 178.83 178.47 2rq9 s THR 73 N -5.26 2.48 -0.36 2.39 -4.23 -1.26 -4.86 115.64 104.55 2rq9 s THR 73 Ca -0.10 -2.33 -0.29 0.00 -1.18 0.00 0.00 61.69 57.79 2rq9 s THR 73 Cb 0.16 -2.28 0.00 0.00 1.34 0.00 0.00 72.50 71.72 2rq9 s THR 73 CO 0.80 -0.35 1.38 -2.16 -0.54 0.00 0.00 174.62 173.76 2rq9 s PRO 74 N -3.36 3.72 0.18 3.99 0.04 -1.26 -4.81 135.00 133.50 2rq9 s PRO 74 Ca 0.28 1.10 0.08 0.00 0.04 0.00 0.00 61.00 62.50 2rq9 s PRO 74 Cb -0.06 -3.97 -0.04 0.00 0.04 0.00 0.00 34.50 30.47 2rq9 s PRO 74 CO 0.14 -1.38 -0.17 -0.80 0.04 0.00 0.00 177.00 174.84 2rq9 s ASN 75 N 3.50 2.64 0.48 6.66 0.01 -1.26 -5.01 114.94 121.96 2rq9 s ASN 75 Ca 0.60 -0.92 0.27 0.00 -0.71 0.00 0.00 52.86 52.10 2rq9 s ASN 75 Cb -0.15 -0.15 1.34 0.00 0.41 0.00 0.00 41.25 42.69 2rq9 s ASN 75 CO 0.29 -0.09 1.82 -0.33 -1.51 0.00 0.00 177.10 177.28 2rq9 h GLU 76 N 2.97 0.17 0.00 -0.60 5.08 -1.94 1.45 114.58 121.70 2rq9 h GLU 76 Ca -0.40 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.95 2rq9 h GLU 76 Cb 1.21 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.43 2rq9 h GLU 76 CO 0.55 0.11 0.00 0.93 -1.00 0.00 0.00 179.01 179.61 2rq9 h GLU 77 N 0.18 0.00 0.00 2.33 5.08 -1.95 0.43 114.58 120.65 2rq9 h GLU 77 Ca 0.53 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.89 2rq9 h GLU 77 Cb 1.77 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.02 2rq9 h GLU 77 CO -0.12 0.00 -1.44 0.00 -1.00 0.00 0.00 179.01 176.45 2rq9 s LEU 79 N -4.70 4.08 0.35 0.00 2.96 0.15 -4.41 118.68 117.10 2rq9 s LEU 79 Ca -0.03 1.13 0.09 0.00 -0.22 0.00 0.00 54.13 55.10 2rq9 s LEU 79 Cb 0.12 -3.33 -0.06 0.00 0.50 0.00 0.00 46.19 43.43 2rq9 s LEU 79 CO 0.85 -0.60 -0.00 -0.36 -1.32 0.00 0.00 176.35 174.91 2rq9 s PHE 80 N 3.03 2.52 -0.22 5.38 0.40 -0.96 -2.11 117.98 126.01 2rq9 s PHE 80 Ca 0.39 -0.47 -0.08 0.00 -0.60 0.00 0.00 56.93 56.16 2rq9 s PHE 80 Cb -0.15 -1.50 -0.04 0.00 0.51 0.00 0.00 43.02 41.84 2rq9 s PHE 80 CO 0.08 0.49 0.10 -0.51 0.70 0.00 0.00 175.22 176.07 2rq9 s LEU 81 N -3.70 3.78 0.08 -0.37 1.43 0.50 -1.11 118.68 119.29 2rq9 s LEU 81 Ca 0.35 -0.01 0.05 0.00 -1.03 0.00 0.00 54.13 53.48 2rq9 s LEU 81 Cb 0.01 -1.99 -0.04 0.00 0.03 0.00 0.00 46.19 44.20 2rq9 s LEU 81 CO 0.19 0.07 -0.01 -0.70 0.23 0.00 0.00 176.35 176.12 2rq9 s GLU 82 N 1.01 2.53 -0.09 1.70 -6.30 -0.09 -1.58 118.70 115.87 2rq9 s GLU 82 Ca 0.05 -0.83 -0.25 0.00 -2.50 0.00 0.00 54.97 51.44 2rq9 s GLU 82 Cb -0.14 -2.53 0.06 0.00 0.00 0.00 0.00 34.13 31.52 2rq9 s GLU 82 CO 0.03 0.55 0.59 1.03 0.02 0.00 0.00 175.26 177.48 2rq9 s ARG 83 N -2.18 0.89 -0.47 4.30 1.81 -1.21 -4.74 118.95 117.35 2rq9 s ARG 83 Ca 0.24 0.33 -0.20 0.00 -1.72 0.00 0.00 55.73 54.38 2rq9 s ARG 83 Cb -0.12 0.42 0.04 0.00 -0.45 0.00 0.00 34.95 34.84 2rq9 s ARG 83 CO 0.16 -0.24 0.66 -1.17 -0.68 0.00 0.00 175.30 174.04 2rq9 s LEU 84 N -0.81 4.63 0.34 2.53 0.20 -1.26 -3.23 118.68 121.09 2rq9 s LEU 84 Ca -0.09 -0.55 0.07 0.00 0.69 0.00 0.00 54.13 54.26 2rq9 s LEU 84 Cb -0.02 -2.63 -0.02 0.00 -0.43 0.00 0.00 46.19 43.09 2rq9 s LEU 84 CO 0.06 -0.85 0.32 -1.83 -0.29 0.00 0.00 176.35 173.76 2rq9 s GLU 85 N 2.84 2.76 1.15 1.98 -1.05 -1.11 -5.04 118.70 120.22 2rq9 s GLU 85 Ca 0.20 -1.28 -0.17 0.00 -0.15 0.00 0.00 54.97 53.58 2rq9 s GLU 85 Cb -0.16 -2.51 0.21 0.00 -0.44 0.00 0.00 34.13 31.24 2rq9 s GLU 85 CO 0.16 0.07 0.42 0.39 0.95 0.00 0.00 175.26 177.26 2rq9 n GLU 86 N -1.41 -2.77 -0.92 -4.83 1.02 -1.26 -3.16 120.64 107.30 2rq9 n GLU 86 Ca -0.01 -0.82 0.00 0.00 -0.02 0.00 0.00 57.16 56.31 2rq9 n GLU 86 Cb 0.60 -1.65 0.00 0.00 -0.02 0.00 0.00 31.44 30.37 2rq9 n GLU 86 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 2rq9 n ASN 87 N -2.56 -1.78 -3.43 1.62 5.15 -1.26 -3.58 115.26 109.42 2rq9 n ASN 87 Ca 0.06 0.00 -0.20 0.00 -0.60 0.00 0.00 54.58 53.84 2rq9 n ASN 87 Cb 0.47 -1.06 0.04 0.00 -0.53 0.00 0.00 39.78 38.70 2rq9 n ASN 87 CO 0.00 0.00 0.00 1.41 1.40 0.00 0.00 177.26 180.07 2rq9 n HIS 88 N -2.32 -2.30 -3.93 1.20 8.25 -1.21 -5.01 115.22 109.90 2rq9 n HIS 88 Ca 0.00 0.73 -0.09 0.00 -0.26 0.00 0.00 57.72 58.11 2rq9 n HIS 88 Cb 0.07 -3.74 -0.08 0.00 1.12 0.00 0.00 29.99 27.35 2rq9 n HIS 88 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 2rq9 s TYR 89 N -3.32 0.24 0.07 4.41 2.02 -1.19 -4.99 117.35 114.59 2rq9 s TYR 89 Ca 0.36 -0.67 0.06 0.00 -0.37 0.00 0.00 57.07 56.44 2rq9 s TYR 89 Cb -0.09 -0.15 -0.04 0.00 -0.40 0.00 0.00 41.96 41.28 2rq9 s TYR 89 CO 0.80 -0.47 -0.08 -0.80 -1.57 0.00 0.00 175.55 173.44 2rq9 s ASN 90 N -2.70 4.54 0.15 2.29 -0.87 0.42 -2.77 114.94 116.00 2rq9 s ASN 90 Ca 0.03 -0.28 0.05 0.00 -1.57 0.00 0.00 52.86 51.09 2rq9 s ASN 90 Cb 0.04 -0.96 -0.04 0.00 -0.02 0.00 0.00 41.25 40.27 2rq9 s ASN 90 CO -0.09 0.21 -0.11 0.42 -2.57 0.00 0.00 177.10 174.96 2rq9 s THR 91 N -1.16 1.22 -0.03 1.60 -4.23 -1.20 0.18 115.64 112.02 2rq9 s THR 91 Ca 0.21 -2.05 -0.01 0.00 -1.18 0.00 0.00 61.69 58.65 2rq9 s THR 91 Cb -0.11 -1.84 0.02 0.00 1.34 0.00 0.00 72.50 71.91 2rq9 s THR 91 CO 0.12 -0.72 0.07 -0.31 -0.54 0.00 0.00 174.62 173.25 2rq9 s TYR 92 N -3.23 -0.06 0.01 3.99 2.02 -1.26 -3.33 117.35 115.50 2rq9 s TYR 92 Ca 0.17 0.23 0.02 0.00 -0.37 0.00 0.00 57.07 57.11 2rq9 s TYR 92 Cb 0.02 -0.09 -0.01 0.00 -0.40 0.00 0.00 41.96 41.47 2rq9 s TYR 92 CO 0.01 -0.09 -0.07 0.42 -1.57 0.00 0.00 175.55 174.26 2rq9 s ILE 93 N 0.68 0.51 0.30 2.71 1.01 -0.61 -2.90 121.20 122.89 2rq9 s ILE 93 Ca -0.05 -0.53 -0.29 0.00 0.00 0.00 0.00 60.65 59.77 2rq9 s ILE 93 Cb -0.08 -0.48 -0.10 0.00 0.01 0.00 0.00 42.46 41.82 2rq9 s ILE 93 CO -0.03 -0.03 1.33 -0.55 0.00 0.00 0.00 174.94 175.66 2rq9 s SER 94 N -0.62 6.77 -0.02 3.58 0.15 -1.25 0.19 113.70 122.51 2rq9 s SER 94 Ca -0.02 2.65 -0.21 0.00 0.70 0.00 0.00 55.95 59.07 2rq9 s SER 94 Cb -0.05 -2.64 -0.13 0.00 -1.71 0.00 0.00 66.02 61.50 2rq9 s SER 94 CO 0.00 -0.56 0.91 0.50 1.20 0.00 0.00 173.24 175.28 2rq9 h LYS 95 N 3.94 -0.59 -0.12 5.44 3.64 -1.66 0.57 116.57 127.80 2rq9 h LYS 95 Ca -0.48 0.04 0.03 0.00 -1.27 0.00 0.00 60.65 58.98 2rq9 h LYS 95 Cb 1.22 0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 33.17 2rq9 h LYS 95 CO 0.69 -0.31 0.16 -0.22 -2.27 0.00 0.00 179.45 177.50 2rq9 h LYS 96 N -1.08 0.00 -1.07 1.90 3.64 -1.81 -0.43 116.57 117.72 2rq9 h LYS 96 Ca -0.06 0.00 -0.54 0.00 -1.27 0.00 0.00 60.65 58.78 2rq9 h LYS 96 Cb 0.54 0.00 -0.42 0.00 -0.41 0.00 0.00 32.23 31.94 2rq9 h LYS 96 CO 0.10 0.00 -0.81 0.72 -2.27 0.00 0.00 179.45 177.19 2rq9 n HIS 97 N -3.66 2.89 0.03 1.91 -0.00 -1.12 -4.76 115.22 110.51 2rq9 n HIS 97 Ca 0.00 -2.63 -0.19 0.00 -0.00 0.00 0.00 57.72 54.91 2rq9 n HIS 97 Cb 0.26 -0.23 -0.13 0.00 -0.00 0.00 0.00 29.99 29.90 2rq9 n HIS 97 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2rq9 h ALA 98 N 2.41 -0.02 0.00 -1.41 0.00 0.19 -3.19 119.26 117.24 2rq9 h ALA 98 Ca 0.29 -0.64 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 2rq9 h ALA 98 Cb 1.24 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.10 2rq9 h ALA 98 CO 0.76 0.36 -0.04 0.93 0.00 0.00 0.00 179.25 181.26 2rq9 h GLU 99 N -0.25 0.00 0.00 0.00 5.08 -1.83 -1.13 114.58 116.45 2rq9 h GLU 99 Ca -0.11 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 2rq9 h GLU 99 Cb 1.49 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.74 2rq9 h GLU 99 CO 0.14 0.04 0.00 1.63 -1.00 0.00 0.00 179.01 179.82 2rq9 n LYS 100 N -3.18 0.08 -3.53 2.33 5.02 -1.21 -4.92 118.16 112.75 2rq9 n LYS 100 Ca -0.00 0.20 -0.22 0.00 -2.02 0.00 0.00 58.31 56.26 2rq9 n LYS 100 Cb 0.29 -1.62 0.03 0.00 -0.02 0.00 0.00 35.03 33.71 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 -1.76 -5.90 -4.41 4.39 3.02 -0.43 -4.73 115.26 105.44 2rq9 n ASN 101 Ca 0.05 -0.79 -0.33 0.00 -0.03 0.00 0.00 54.58 53.48 2rq9 n ASN 101 Cb 0.28 -3.66 -0.14 0.00 -0.61 0.00 0.00 39.78 35.65 2rq9 n ASN 101 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 2rq9 s TRP 102 N -3.28 2.83 0.08 3.10 0.51 -1.25 -4.60 118.94 116.34 2rq9 s TRP 102 Ca 0.30 -0.49 0.06 0.00 -2.12 0.00 0.00 56.10 53.85 2rq9 s TRP 102 Cb -0.10 -1.82 -0.04 0.00 -0.81 0.00 0.00 33.47 30.71 2rq9 s TRP 102 CO 0.83 -0.10 -0.10 -0.06 -0.51 0.00 0.00 176.95 177.01 2rq9 s PHE 103 N 0.13 2.75 0.15 -1.98 0.40 -1.26 -3.74 117.98 114.43 2rq9 s PHE 103 Ca -0.06 -0.14 0.19 0.00 -0.60 0.00 0.00 56.93 56.32 2rq9 s PHE 103 Cb -0.15 -1.46 0.65 0.00 0.51 0.00 0.00 43.02 42.57 2rq9 s PHE 103 CO 0.04 0.41 1.72 0.28 0.70 0.00 0.00 175.22 178.37 2rq9 h VAL 104 N 3.36 0.87 -0.68 -0.44 2.07 -1.86 -3.42 116.25 116.16 2rq9 h VAL 104 Ca -0.49 -1.54 -0.32 0.00 0.82 0.00 0.00 66.70 65.17 2rq9 h VAL 104 Cb 1.17 1.95 0.07 0.00 -1.52 0.00 0.00 31.29 32.95 2rq9 h VAL 104 CO 0.52 0.37 -0.38 0.61 0.02 0.00 0.00 177.57 178.71 2rq9 n GLY 105 N 0.29 -1.13 3.74 2.17 0.00 -1.25 -4.61 105.19 104.40 2rq9 n GLY 105 Ca -0.00 0.07 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 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 1.85 3.66 0.00 0.99 1.43 -1.24 -2.92 118.68 122.44 2rq9 s LEU 106 Ca 0.30 -0.08 -0.02 0.00 -1.03 0.00 0.00 54.13 53.30 2rq9 s LEU 106 Cb -0.38 -2.36 0.04 0.00 0.03 0.00 0.00 46.19 43.51 2rq9 s LEU 106 CO 0.29 0.17 0.08 0.29 0.23 0.00 0.00 176.35 177.42 2rq9 n LYS 107 N 0.51 -1.30 0.00 1.70 5.02 0.62 -4.60 118.16 120.11 2rq9 n LYS 107 Ca -0.09 -0.13 0.08 0.00 -2.02 0.00 0.00 58.31 56.14 2rq9 n LYS 107 Cb 0.52 -0.20 -0.08 0.00 -0.02 0.00 0.00 35.03 35.24 2rq9 n LYS 107 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2rq9 n LYS 108 N -1.78 1.68 -0.69 1.97 5.02 -1.26 -4.25 118.16 118.85 2rq9 n LYS 108 Ca 0.01 -0.10 -0.06 0.00 -2.02 0.00 0.00 58.31 56.15 2rq9 n LYS 108 Cb 0.05 -1.26 0.19 0.00 -0.02 0.00 0.00 35.03 33.99 2rq9 n LYS 108 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2rq9 n ASN 109 N -1.23 3.77 -2.96 4.39 3.02 -1.26 -4.70 115.26 116.29 2rq9 n ASN 109 Ca 0.03 -2.83 -0.19 0.00 -0.03 0.00 0.00 54.58 51.56 2rq9 n ASN 109 Cb 0.26 -0.67 0.06 0.00 -0.61 0.00 0.00 39.78 38.82 2rq9 n ASN 109 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2rq9 n GLY 110 N -0.10 -0.25 3.25 7.41 0.00 -1.26 -5.01 105.19 109.23 2rq9 n GLY 110 Ca 0.29 0.07 -0.14 0.00 0.00 0.00 0.00 46.02 46.24 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 -3.23 1.06 0.10 1.61 0.01 -1.26 -4.30 113.70 107.69 2rq9 s SER 111 Ca 0.46 -1.24 -0.28 0.00 1.31 0.00 0.00 55.95 56.21 2rq9 s SER 111 Cb -0.20 0.16 -0.06 0.00 0.21 0.00 0.00 66.02 66.12 2rq9 s SER 111 CO 0.57 -0.64 0.87 0.00 0.41 0.00 0.00 173.24 174.45 2rq9 s LYS 113 N -0.25 3.28 0.23 0.00 2.20 -1.15 -4.53 119.74 119.52 2rq9 s LYS 113 Ca 0.42 -0.43 -0.21 0.00 -0.36 0.00 0.00 55.97 55.39 2rq9 s LYS 113 Cb -0.22 -4.02 -0.14 0.00 -1.51 0.00 0.00 37.83 31.94 2rq9 s LYS 113 CO 0.27 -1.23 0.30 0.54 -0.36 0.00 0.00 175.35 174.88 2rq9 n ARG 114 N 6.68 0.00 0.06 4.03 3.00 -1.26 -4.77 116.66 124.40 2rq9 n ARG 114 Ca -0.01 0.00 -0.16 0.00 -0.01 0.00 0.00 57.85 57.67 2rq9 n ARG 114 Cb 0.47 -0.84 -0.10 0.00 0.00 0.00 0.00 32.46 31.99 2rq9 n ARG 114 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.63 178.41 2rq9 h GLY 115 N 0.63 -1.14 -3.01 -0.13 0.00 -1.54 -0.45 103.07 97.44 2rq9 h GLY 115 Ca -0.26 0.66 0.00 0.00 0.00 0.00 0.00 47.33 47.73 2rq9 h GLY 115 CO 0.45 -0.24 0.00 -1.55 0.00 0.00 0.00 176.54 175.20 2rq9 n PRO 116 N -5.47 0.75 -0.35 4.80 -0.04 -1.26 -2.32 135.00 131.11 2rq9 n PRO 116 Ca -0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.38 2rq9 n PRO 116 Cb 0.40 -1.13 0.00 0.00 -0.04 0.00 0.00 33.50 32.74 2rq9 n PRO 116 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2rq9 n ARG 117 N 1.43 0.00 -4.46 0.54 1.74 -0.18 -5.10 116.66 110.62 2rq9 n ARG 117 Ca 0.00 -0.66 -0.26 0.00 -0.77 0.00 0.00 57.85 56.16 2rq9 n ARG 117 Cb 0.37 -0.39 -0.10 0.00 -1.02 0.00 0.00 32.46 31.33 2rq9 n ARG 117 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 2rq9 s THR 118 N 0.00 2.31 0.01 0.55 -4.23 -0.98 -4.80 115.64 108.50 2rq9 s THR 118 Ca 0.00 -2.05 -0.16 0.00 -1.18 0.00 0.00 61.69 58.30 2rq9 s THR 118 Cb 0.00 -2.80 0.05 0.00 1.34 0.00 0.00 72.50 71.09 2rq9 s THR 118 CO 0.00 -0.14 0.75 1.41 -0.54 0.00 0.00 174.62 176.10 2rq9 n HIS 119 N -0.92 -0.43 -3.13 3.99 8.25 -1.26 -4.90 115.22 116.82 2rq9 n HIS 119 Ca -0.04 -0.49 -0.37 0.00 -0.26 0.00 0.00 57.72 56.55 2rq9 n HIS 119 Cb 0.64 0.23 -0.06 0.00 1.12 0.00 0.00 29.99 31.92 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 -2.66 3.74 0.00 4.41 5.04 -1.26 -3.96 117.35 122.66 2rq9 s TYR 120 Ca 0.17 1.39 0.00 0.00 -2.44 0.00 0.00 57.07 56.20 2rq9 s TYR 120 Cb -0.01 -2.60 0.00 0.00 0.35 0.00 0.00 41.96 39.70 2rq9 s TYR 120 CO 0.00 0.44 0.00 0.41 -1.34 0.00 0.00 175.55 175.06 2rq9 n GLY 121 N 1.13 2.78 3.87 8.97 0.00 -1.26 -5.08 105.19 115.60 2rq9 n GLY 121 Ca -0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.43 3.80 -0.12 1.61 -0.21 -1.25 -4.96 119.66 118.09 2rq9 s GLN 122 Ca 0.00 0.53 0.13 0.00 0.02 0.00 0.00 55.36 56.03 2rq9 s GLN 122 Cb 0.00 -2.36 0.58 0.00 1.00 0.00 0.00 33.01 32.23 2rq9 s GLN 122 CO 0.00 -0.06 1.44 1.17 -2.12 0.00 0.00 175.29 175.72 2rq9 n LYS 123 N -1.32 3.40 -0.08 2.91 4.81 -1.26 -4.03 118.16 122.58 2rq9 n LYS 123 Ca 0.03 -2.27 -0.23 0.00 -0.87 0.00 0.00 58.31 54.97 2rq9 n LYS 123 Cb 0.54 -1.86 -0.12 0.00 0.02 0.00 0.00 35.03 33.61 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 0.71 1.03 0.25 3.14 0.00 -1.26 -1.33 120.51 123.04 2rq9 n ALA 124 Ca 0.20 -0.77 0.11 0.00 0.00 0.00 0.00 53.44 52.98 2rq9 n ALA 124 Cb 0.80 -0.36 0.64 0.00 0.00 0.00 0.00 19.45 20.53 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 -0.50 0.68 -2.96 0.00 3.07 -1.86 -3.30 117.51 112.64 2rq9 h ILE 125 Ca -0.49 -0.69 -0.56 0.00 1.55 0.00 0.00 64.86 64.67 2rq9 h ILE 125 Cb 1.70 1.43 -0.05 0.00 -0.27 0.00 0.00 36.82 39.63 2rq9 h ILE 125 CO -0.15 0.16 1.14 -0.76 -1.05 0.00 0.00 178.15 177.49 2rq9 s LEU 126 N -7.42 3.50 0.00 0.16 1.43 -1.26 -4.31 118.68 110.79 2rq9 s LEU 126 Ca -0.03 0.74 0.08 0.00 -1.03 0.00 0.00 54.13 53.90 2rq9 s LEU 126 Cb 0.13 -3.34 -0.02 0.00 0.03 0.00 0.00 46.19 42.99 2rq9 s LEU 126 CO 0.61 -1.62 -0.25 -0.36 0.23 0.00 0.00 176.35 174.96 2rq9 s PHE 127 N 6.13 2.37 -0.09 0.29 0.40 0.47 -4.13 117.98 123.42 2rq9 s PHE 127 Ca 0.63 -0.40 0.02 0.00 -0.60 0.00 0.00 56.93 56.57 2rq9 s PHE 127 Cb -0.14 -1.47 0.02 0.00 0.51 0.00 0.00 43.02 41.93 2rq9 s PHE 127 CO 0.30 0.05 -0.12 -1.17 0.70 0.00 0.00 175.22 174.97 2rq9 s LEU 128 N -0.87 1.58 -0.23 -0.37 2.96 -0.98 0.16 118.68 120.93 2rq9 s LEU 128 Ca 0.11 -0.34 -0.29 0.00 -0.22 0.00 0.00 54.13 53.39 2rq9 s LEU 128 Cb -0.10 -0.91 -0.01 0.00 0.50 0.00 0.00 46.19 45.67 2rq9 s LEU 128 CO 0.00 -0.00 1.31 -2.16 -1.32 0.00 0.00 176.35 174.19 2rq9 s PRO 129 N 0.97 4.05 -0.17 0.98 0.04 -1.25 -0.30 135.00 139.31 2rq9 s PRO 129 Ca -0.08 1.47 -0.09 0.00 0.04 0.00 0.00 61.00 62.34 2rq9 s PRO 129 Cb -0.15 -3.84 -0.05 0.00 0.04 0.00 0.00 34.50 30.50 2rq9 s PRO 129 CO -0.00 -0.95 0.12 -0.51 0.04 0.00 0.00 177.00 175.70 2rq9 s LEU 130 N 4.06 4.21 0.10 -3.56 1.43 0.29 -4.84 118.68 120.38 2rq9 s LEU 130 Ca 0.57 0.29 -0.30 0.00 -1.03 0.00 0.00 54.13 53.66 2rq9 s LEU 130 Cb -0.20 -2.06 -0.06 0.00 0.03 0.00 0.00 46.19 43.90 2rq9 s LEU 130 CO 0.20 0.26 1.15 -2.16 0.23 0.00 0.00 176.35 176.03 2rq9 s PRO 131 N -0.14 4.50 0.00 1.29 0.04 -1.26 0.43 135.00 139.86 2rq9 s PRO 131 Ca 0.10 1.73 0.02 0.00 0.04 0.00 0.00 61.00 62.89 2rq9 s PRO 131 Cb -0.11 -3.33 -0.00 0.00 0.04 0.00 0.00 34.50 31.10 2rq9 s PRO 131 CO 0.00 -0.12 0.30 1.55 0.04 0.00 0.00 177.00 178.77 2rq9 n VAL 132 N 3.31 0.00 -2.98 -0.36 3.14 -1.25 -4.92 118.33 115.26 2rq9 n VAL 132 Ca 0.06 -0.48 0.05 0.00 -2.96 0.00 0.00 64.34 61.01 2rq9 n VAL 132 Cb 0.47 1.02 0.00 0.00 -1.06 0.00 0.00 33.84 34.27 2rq9 n VAL 132 CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 2rq9 s SER 133 N -0.70 -0.00 0.28 6.55 0.15 -1.26 -5.05 113.70 113.67 2rq9 s SER 133 Ca 0.01 -0.00 -0.05 0.00 0.70 0.00 0.00 55.95 56.62 2rq9 s SER 133 Cb 0.01 0.67 -0.01 0.00 -1.71 0.00 0.00 66.02 64.98 2rq9 s SER 133 CO 0.05 -0.00 0.39 -0.44 1.20 0.00 0.00 173.24 174.44 2rq9 s SER 134 N 2.66 0.50 0.00 5.45 0.01 -1.26 -4.36 113.70 116.70 2rq9 s SER 134 Ca 0.27 -1.31 0.00 0.00 1.31 0.00 0.00 55.95 56.22 2rq9 s SER 134 Cb 0.02 0.57 0.00 0.00 0.21 0.00 0.00 66.02 66.83 2rq9 s SER 134 CO -0.20 -1.14 0.00 -0.67 0.41 0.00 0.00 173.24 171.64 2rq9 n ASP 135 N -0.87 0.00 -4.31 2.44 2.03 -1.26 -5.15 116.55 109.44 2rq9 n ASP 135 Ca 0.01 0.00 -0.32 0.00 0.52 0.00 0.00 54.79 54.99 2rq9 n ASP 135 Cb 0.63 0.00 0.17 0.00 -0.72 0.00 0.00 41.12 41.19 2rq9 n ASP 135 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2rq9 n LEU 136 N 0.00 -1.90 -3.97 -2.67 -0.00 -1.26 -5.03 117.00 102.17 2rq9 n LEU 136 Ca 0.00 -0.04 -0.09 0.00 -0.00 0.00 0.00 56.01 55.88 2rq9 n LEU 136 Cb 0.00 -1.01 -0.10 0.00 -0.00 0.00 0.00 43.42 42.31 2rq9 n LEU 136 CO 0.00 -3.20 -0.30 -1.61 -0.00 0.00 0.00 177.39 172.28 2rq9 s GLU 137 N -3.50 0.43 -0.19 1.47 2.02 -1.26 -5.13 118.70 112.53 2rq9 s GLU 137 Ca 0.56 -0.68 -0.22 0.00 0.02 0.00 0.00 54.97 54.66 2rq9 s GLU 137 Cb -0.14 0.16 -0.02 0.00 0.10 0.00 0.00 34.13 34.23 2rq9 s GLU 137 CO 0.66 -0.09 0.67 -1.58 0.02 0.00 0.00 175.26 174.94 2rq9 s HIS 138 N -1.98 3.39 -0.30 1.61 2.46 -1.26 -4.97 115.29 114.25 2rq9 s HIS 138 Ca -0.11 1.00 -0.16 0.00 0.47 0.00 0.00 55.06 56.26 2rq9 s HIS 138 Cb -0.06 -2.83 0.18 0.00 -0.13 0.00 0.00 32.58 29.74 2rq9 s HIS 138 CO -0.02 -0.17 1.18 -1.01 -2.47 0.00 0.00 174.74 172.24 2rq9 s HIS 139 N 1.90 -0.08 -0.28 3.88 3.76 -1.26 -5.13 115.29 118.08 2rq9 s HIS 139 Ca 0.31 0.05 -0.00 0.00 -0.15 0.00 0.00 55.06 55.26 2rq9 s HIS 139 Cb -0.16 0.01 0.09 0.00 1.11 0.00 0.00 32.58 33.63 2rq9 s HIS 139 CO 0.11 -0.04 0.06 -1.58 -0.85 0.00 0.00 174.74 172.43 2rq9 s HIS 140 N 2.99 2.02 0.10 1.40 2.46 -1.26 -5.12 115.29 117.89 2rq9 s HIS 140 Ca 0.31 -1.79 0.07 0.00 0.47 0.00 0.00 55.06 54.11 2rq9 s HIS 140 Cb 0.00 -1.76 -0.04 0.00 -0.13 0.00 0.00 32.58 30.65 2rq9 s HIS 140 CO -0.21 -0.83 -0.09 -1.01 -2.47 0.00 0.00 174.74 170.13 2rq9 s HIS 141 N 1.51 2.78 0.04 3.88 3.76 -1.26 -5.13 115.29 120.87 2rq9 s HIS 141 Ca 0.06 -0.14 -0.27 0.00 -0.15 0.00 0.00 55.06 54.56 2rq9 s HIS 141 Cb -0.18 -1.45 0.07 0.00 1.11 0.00 0.00 32.58 32.13 2rq9 s HIS 141 CO -0.17 0.44 0.63 -3.38 -0.85 0.00 0.00 174.74 171.40 2rq9 s HIS 142 N -1.23 -0.58 0.00 1.40 -3.43 -1.26 -5.36 115.29 104.83 2rq9 s HIS 142 Ca 0.22 0.74 0.00 0.00 -0.80 0.00 0.00 55.06 55.22 2rq9 s HIS 142 Cb -0.11 0.45 0.00 0.00 -1.43 0.00 0.00 32.58 31.49 2rq9 s HIS 142 CO 0.14 -0.70 0.00 1.58 -2.00 0.00 0.00 174.74 173.76