#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xr9 s SER 2 N 0.00 6.34 0.06 1.61 0.01 -1.26 -2.12 113.70 118.34 1xr9 s SER 2 Ca 0.00 0.37 -0.05 0.00 1.31 0.00 0.00 55.95 57.58 1xr9 s SER 2 Cb 0.00 -2.00 -0.02 0.00 0.21 0.00 0.00 66.02 64.22 1xr9 s SER 2 CO 0.00 -0.15 0.08 -1.00 0.41 0.00 0.00 173.24 172.58 1xr9 s HIS 3 N -2.08 0.31 0.04 2.43 3.76 -0.31 -4.96 115.29 114.48 1xr9 s HIS 3 Ca 0.38 -0.75 0.02 0.00 -0.15 0.00 0.00 55.06 54.56 1xr9 s HIS 3 Cb -0.10 -0.21 -0.02 0.00 1.11 0.00 0.00 32.58 33.36 1xr9 s HIS 3 CO 0.32 -0.44 -0.07 -1.54 -0.85 0.00 0.00 174.74 172.16 1xr9 s SER 4 N -2.71 0.78 -0.05 1.40 1.04 -1.26 -0.65 113.70 112.25 1xr9 s SER 4 Ca 0.03 -0.57 0.06 0.00 0.48 0.00 0.00 55.95 55.96 1xr9 s SER 4 Cb 0.05 0.05 -0.01 0.00 0.10 0.00 0.00 66.02 66.20 1xr9 s SER 4 CO -0.09 -0.24 -0.25 -0.32 0.98 0.00 0.00 173.24 173.32 1xr9 s MET 5 N -1.71 2.44 -0.01 4.02 1.75 -0.10 -0.53 119.30 125.17 1xr9 s MET 5 Ca -0.10 -0.91 -0.00 0.00 -1.25 0.00 0.00 55.69 53.44 1xr9 s MET 5 Cb -0.09 -2.14 0.01 0.00 2.84 0.00 0.00 34.83 35.45 1xr9 s MET 5 CO -0.00 0.43 0.02 1.03 -0.65 0.00 0.00 175.02 175.85 1xr9 s ARG 6 N -0.29 0.01 -0.05 4.11 1.81 -0.36 -1.68 118.95 122.49 1xr9 s ARG 6 Ca 0.00 0.05 0.00 0.00 -1.72 0.00 0.00 55.73 54.06 1xr9 s ARG 6 Cb -0.13 -0.04 -0.03 0.00 -0.45 0.00 0.00 34.95 34.30 1xr9 s ARG 6 CO 0.02 -0.03 -0.03 0.71 -0.68 0.00 0.00 175.30 175.29 1xr9 s TYR 7 N 0.20 3.03 -0.18 -0.53 2.02 -0.02 -0.14 117.35 121.72 1xr9 s TYR 7 Ca -0.02 0.08 0.01 0.00 -0.37 0.00 0.00 57.07 56.77 1xr9 s TYR 7 Cb -0.02 -1.71 0.03 0.00 -0.40 0.00 0.00 41.96 39.85 1xr9 s TYR 7 CO -0.01 0.40 -0.14 -0.06 -1.57 0.00 0.00 175.55 174.18 1xr9 s PHE 8 N -0.91 2.43 -0.13 2.71 0.40 0.04 -1.69 117.98 120.83 1xr9 s PHE 8 Ca 0.15 -1.49 -0.04 0.00 -0.60 0.00 0.00 56.93 54.95 1xr9 s PHE 8 Cb -0.11 -1.69 -0.03 0.00 0.51 0.00 0.00 43.02 41.69 1xr9 s PHE 8 CO 0.04 -0.73 0.00 0.71 0.70 0.00 0.00 175.22 175.94 1xr9 s TYR 9 N 1.40 3.13 -0.10 0.36 2.02 0.47 -0.95 117.35 123.68 1xr9 s TYR 9 Ca 0.02 0.00 0.00 0.00 -0.37 0.00 0.00 57.07 56.73 1xr9 s TYR 9 Cb -0.14 -1.91 0.02 0.00 -0.40 0.00 0.00 41.96 39.53 1xr9 s TYR 9 CO -0.10 0.23 -0.09 0.99 -1.57 0.00 0.00 175.55 175.01 1xr9 s THR 10 N -0.20 1.06 -0.13 -0.71 2.01 -0.17 -1.38 115.64 116.11 1xr9 s THR 10 Ca 0.05 -0.35 0.02 0.00 0.31 0.00 0.00 61.69 61.72 1xr9 s THR 10 Cb -0.12 -1.04 0.00 0.00 0.01 0.00 0.00 72.50 71.34 1xr9 s THR 10 CO 0.02 0.36 -0.20 0.00 -0.69 0.00 0.00 174.62 174.11 1xr9 s ALA 11 N 1.37 2.31 -0.09 7.40 0.00 0.37 -0.88 121.76 132.24 1xr9 s ALA 11 Ca -0.01 -1.05 -0.01 0.00 0.00 0.00 0.00 51.96 50.89 1xr9 s ALA 11 Cb -0.14 -1.02 0.03 0.00 0.00 0.00 0.00 23.12 21.99 1xr9 s ALA 11 CO -0.05 0.05 -0.04 -1.64 0.00 0.00 0.00 175.76 174.08 1xr9 s MET 12 N 0.69 1.13 0.63 0.00 -1.94 -0.28 -0.30 119.30 119.23 1xr9 s MET 12 Ca -0.09 -0.10 -0.09 0.00 -1.71 0.00 0.00 55.69 53.69 1xr9 s MET 12 Cb -0.16 -1.31 -0.01 0.00 2.01 0.00 0.00 34.83 35.36 1xr9 s MET 12 CO 0.01 -0.27 1.00 -1.54 -0.01 0.00 0.00 175.02 174.21 1xr9 s SER 13 N 1.77 5.82 -0.47 3.03 1.04 -0.23 -1.48 113.70 123.17 1xr9 s SER 13 Ca 0.04 1.12 0.05 0.00 0.48 0.00 0.00 55.95 57.64 1xr9 s SER 13 Cb -0.13 -2.09 0.25 0.00 0.10 0.00 0.00 66.02 64.15 1xr9 s SER 13 CO -0.06 -1.05 0.95 -2.11 0.98 0.00 0.00 173.24 171.95 1xr9 n ARG 14 N -2.76 0.74 -1.67 4.02 1.85 -1.26 -3.98 116.66 113.60 1xr9 n ARG 14 Ca 0.05 -1.65 -0.46 0.00 -1.00 0.00 0.00 57.85 54.80 1xr9 n ARG 14 Cb 0.56 -1.30 -0.04 0.00 -1.05 0.00 0.00 32.46 30.64 1xr9 n ARG 14 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 177.63 175.32 1xr9 n PRO 15 N 1.49 2.09 -0.21 2.89 -0.02 -1.26 -0.59 135.00 139.39 1xr9 n PRO 15 Ca 0.08 0.75 0.00 0.00 -2.02 0.00 0.00 63.50 62.31 1xr9 n PRO 15 Cb 0.65 -2.49 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 1xr9 n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xr9 n GLY 16 N 3.06 1.25 1.49 -1.23 0.00 -1.26 -4.89 105.19 103.61 1xr9 n GLY 16 Ca 0.16 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.11 1xr9 n GLY 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xr9 n ARG 17 N -2.00 2.28 0.00 1.61 1.74 0.25 -5.10 116.66 115.43 1xr9 n ARG 17 Ca 0.00 -3.55 0.00 0.00 -0.77 0.00 0.00 57.85 53.53 1xr9 n ARG 17 Cb 0.00 -1.73 0.00 0.00 -1.02 0.00 0.00 32.46 29.71 1xr9 n ARG 17 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1xr9 n GLY 18 N -0.74 -2.10 3.88 -0.13 0.00 -1.25 -4.94 105.19 99.91 1xr9 n GLY 18 Ca 0.27 -1.77 -0.30 0.00 0.00 0.00 0.00 46.02 44.22 1xr9 n GLY 18 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xr9 s GLU 19 N -0.14 3.31 0.26 1.61 0.41 -1.26 -4.56 118.70 118.33 1xr9 s GLU 19 Ca 0.00 0.53 -0.31 0.00 -0.41 0.00 0.00 54.97 54.78 1xr9 s GLU 19 Cb 0.00 -2.11 -0.13 0.00 -1.78 0.00 0.00 34.13 30.11 1xr9 s GLU 19 CO 0.00 -0.68 1.46 -2.30 -0.49 0.00 0.00 175.26 173.25 1xr9 n PRO 20 N -2.76 2.25 -2.45 0.39 -0.02 -1.26 -4.80 135.00 126.35 1xr9 n PRO 20 Ca 0.05 0.80 -0.40 0.00 -2.02 0.00 0.00 63.50 61.93 1xr9 n PRO 20 Cb 0.55 -2.49 -0.04 0.00 -0.02 0.00 0.00 33.50 31.50 1xr9 n PRO 20 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 1xr9 s ARG 21 N -0.54 4.61 -0.14 -0.52 3.52 -0.55 -4.83 118.95 120.50 1xr9 s ARG 21 Ca 0.66 1.82 0.02 0.00 -0.13 0.00 0.00 55.73 58.10 1xr9 s ARG 21 Cb -0.60 -3.20 0.01 0.00 -1.56 0.00 0.00 34.95 29.61 1xr9 s ARG 21 CO 0.50 0.15 -0.18 0.12 -0.81 0.00 0.00 175.30 175.08 1xr9 s PHE 22 N -0.95 2.39 -0.03 5.12 5.36 -1.26 -1.13 117.98 127.48 1xr9 s PHE 22 Ca 0.46 -1.25 0.07 0.00 -0.96 0.00 0.00 56.93 55.25 1xr9 s PHE 22 Cb -0.32 -1.68 -0.02 0.00 -0.34 0.00 0.00 43.02 40.67 1xr9 s PHE 22 CO 0.40 -0.61 -0.24 0.42 -1.46 0.00 0.00 175.22 173.73 1xr9 s ILE 23 N 1.05 1.92 -0.08 3.12 1.01 -0.06 -0.97 121.20 127.19 1xr9 s ILE 23 Ca -0.03 -1.02 0.01 0.00 0.00 0.00 0.00 60.65 59.61 1xr9 s ILE 23 Cb -0.14 -1.60 0.02 0.00 0.01 0.00 0.00 42.46 40.74 1xr9 s ILE 23 CO -0.05 0.54 -0.09 0.00 0.00 0.00 0.00 174.94 175.34 1xr9 s ALA 24 N -0.43 1.21 0.04 9.38 0.00 -0.10 -1.00 121.76 130.87 1xr9 s ALA 24 Ca 0.05 -0.42 0.09 0.00 0.00 0.00 0.00 51.96 51.69 1xr9 s ALA 24 Cb -0.11 -0.68 -0.03 0.00 0.00 0.00 0.00 23.12 22.30 1xr9 s ALA 24 CO 0.00 -0.11 -0.26 0.14 0.00 0.00 0.00 175.76 175.54 1xr9 s VAL 25 N 1.11 2.08 -0.05 0.00 -7.23 -0.13 -0.23 120.40 115.95 1xr9 s VAL 25 Ca -0.07 -1.36 0.04 0.00 -1.81 0.00 0.00 61.98 58.79 1xr9 s VAL 25 Cb -0.14 -1.78 -0.02 0.00 0.56 0.00 0.00 36.38 34.99 1xr9 s VAL 25 CO -0.01 0.35 -0.18 -0.83 -0.31 0.00 0.00 175.10 174.12 1xr9 s GLY 26 N -1.22 1.45 0.05 2.32 0.00 -0.73 -0.78 107.32 108.42 1xr9 s GLY 26 Ca 0.11 -1.01 0.07 0.00 0.00 0.00 0.00 44.72 43.89 1xr9 s GLY 26 CO 0.02 -0.74 -0.19 -0.19 0.00 0.00 0.00 173.10 172.00 1xr9 s TYR 27 N -0.56 1.61 -0.20 1.90 1.51 0.80 -0.18 117.35 122.23 1xr9 s TYR 27 Ca 0.08 -0.38 -0.04 0.00 -1.01 0.00 0.00 57.07 55.72 1xr9 s TYR 27 Cb -0.11 -0.94 -0.01 0.00 -0.11 0.00 0.00 41.96 40.78 1xr9 s TYR 27 CO 0.01 0.09 -0.05 0.08 -1.11 0.00 0.00 175.55 174.58 1xr9 s VAL 28 N -0.90 3.46 0.00 0.71 1.01 -0.46 -1.22 120.40 123.00 1xr9 s VAL 28 Ca 0.05 -0.47 0.00 0.00 0.00 0.00 0.00 61.98 61.56 1xr9 s VAL 28 Cb -0.09 -2.56 0.00 0.00 0.00 0.00 0.00 36.38 33.74 1xr9 s VAL 28 CO 0.02 0.44 0.00 0.47 0.00 0.00 0.00 175.10 176.03 1xr9 n ASP 29 N 4.50 0.00 -2.03 3.32 8.00 0.32 -0.88 116.55 129.77 1xr9 n ASP 29 Ca -0.18 0.00 -0.09 0.00 0.71 0.00 0.00 54.79 55.23 1xr9 n ASP 29 Cb 0.51 0.00 0.28 0.00 -0.02 0.00 0.00 41.12 41.89 1xr9 n ASP 29 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1xr9 n ASP 30 N 3.83 4.63 -4.24 -2.24 8.00 -1.26 -4.88 116.55 120.38 1xr9 n ASP 30 Ca 0.00 -3.25 -0.35 0.00 0.71 0.00 0.00 54.79 51.90 1xr9 n ASP 30 Cb 0.00 -0.76 -0.14 0.00 -0.02 0.00 0.00 41.12 40.20 1xr9 n ASP 30 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1xr9 s THR 31 N -2.96 3.22 0.26 -3.53 2.01 -0.06 -5.03 115.64 109.56 1xr9 s THR 31 Ca 0.54 -0.93 -0.29 0.00 0.31 0.00 0.00 61.69 61.32 1xr9 s THR 31 Cb 0.44 -2.65 -0.09 0.00 0.01 0.00 0.00 72.50 70.20 1xr9 s THR 31 CO 0.13 0.15 1.17 -1.58 -0.69 0.00 0.00 174.62 173.80 1xr9 s GLN 32 N 1.38 4.54 0.00 4.92 0.74 -1.26 -1.36 119.66 128.62 1xr9 s GLN 32 Ca 0.01 1.91 0.00 0.00 0.05 0.00 0.00 55.36 57.33 1xr9 s GLN 32 Cb -0.17 -3.18 0.00 0.00 1.10 0.00 0.00 33.01 30.76 1xr9 s GLN 32 CO -0.02 0.05 0.00 1.97 -0.55 0.00 0.00 175.29 176.74 1xr9 n PHE 33 N 1.48 0.00 -3.98 1.67 -1.74 0.75 -4.05 117.46 111.59 1xr9 n PHE 33 Ca 0.01 0.00 -0.08 0.00 -0.56 0.00 0.00 57.45 56.81 1xr9 n PHE 33 Cb 0.44 0.00 -0.09 0.00 1.52 0.00 0.00 39.48 41.35 1xr9 n PHE 33 CO 0.00 0.00 0.00 0.14 -0.56 0.00 0.00 176.76 176.34 1xr9 s VAL 34 N -0.92 0.16 -0.08 1.97 -7.23 -1.18 -0.11 120.40 113.01 1xr9 s VAL 34 Ca 0.00 -1.34 -0.12 0.00 -1.81 0.00 0.00 61.98 58.71 1xr9 s VAL 34 Cb 0.00 -1.13 0.03 0.00 0.56 0.00 0.00 36.38 35.84 1xr9 s VAL 34 CO 0.00 -0.74 0.30 -0.60 -0.31 0.00 0.00 175.10 173.75 1xr9 s ARG 35 N -3.17 0.46 -0.00 4.82 3.52 -0.39 -1.76 118.95 122.42 1xr9 s ARG 35 Ca -0.00 0.20 0.05 0.00 -0.13 0.00 0.00 55.73 55.84 1xr9 s ARG 35 Cb 0.02 0.22 -0.01 0.00 -1.56 0.00 0.00 34.95 33.61 1xr9 s ARG 35 CO -0.07 -0.09 -0.15 0.12 -0.81 0.00 0.00 175.30 174.30 1xr9 s PHE 36 N -0.38 1.34 -0.08 5.12 2.19 0.68 -0.86 117.98 125.99 1xr9 s PHE 36 Ca -0.05 -0.27 -0.03 0.00 0.33 0.00 0.00 56.93 56.91 1xr9 s PHE 36 Cb -0.03 -0.85 0.05 0.00 -1.31 0.00 0.00 43.02 40.87 1xr9 s PHE 36 CO 0.02 -0.01 0.15 0.34 1.83 0.00 0.00 175.22 177.55 1xr9 s ASP 37 N -0.50 0.78 0.59 6.13 -1.08 -1.26 -0.92 116.67 120.40 1xr9 s ASP 37 Ca 0.05 0.31 0.38 0.00 -0.52 0.00 0.00 52.55 52.78 1xr9 s ASP 37 Cb -0.06 0.24 1.89 0.00 -1.46 0.00 0.00 42.92 43.53 1xr9 s ASP 37 CO -0.00 -0.24 2.16 0.77 0.52 0.00 0.00 175.17 178.37 1xr9 h SER 38 N 8.36 0.00 0.53 -0.34 4.64 -1.45 -1.87 113.55 123.42 1xr9 h SER 38 Ca -0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.19 1xr9 h SER 38 Cb 1.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 1xr9 h SER 38 CO 0.15 0.00 -0.10 0.47 -0.87 0.00 0.00 176.83 176.48 1xr9 n ASP 39 N -3.01 0.27 -4.76 4.97 8.00 -1.26 -4.83 116.55 115.94 1xr9 n ASP 39 Ca -0.01 -0.26 -0.36 0.00 0.71 0.00 0.00 54.79 54.87 1xr9 n ASP 39 Cb 0.17 -0.17 0.03 0.00 -0.02 0.00 0.00 41.12 41.12 1xr9 n ASP 39 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xr9 s ALA 40 N -2.63 2.61 0.24 2.24 0.00 -0.70 -4.89 121.76 118.62 1xr9 s ALA 40 Ca 0.25 1.01 -0.08 0.00 0.00 0.00 0.00 51.96 53.14 1xr9 s ALA 40 Cb 0.20 -3.44 0.40 0.00 0.00 0.00 0.00 23.12 20.27 1xr9 s ALA 40 CO 0.50 -1.09 1.65 0.00 0.00 0.00 0.00 175.76 176.82 1xr9 h ALA 41 N 1.05 0.76 -3.18 0.00 0.00 -1.91 -3.27 119.26 112.71 1xr9 h ALA 41 Ca -0.50 0.21 -0.59 0.00 0.00 0.00 0.00 54.91 54.03 1xr9 h ALA 41 Cb 1.29 0.36 -0.40 0.00 0.00 0.00 0.00 17.79 19.04 1xr9 h ALA 41 CO 0.56 -0.40 -0.75 0.45 0.00 0.00 0.00 179.25 179.11 1xr9 s SER 42 N -5.21 4.04 0.09 0.00 0.15 -1.26 -5.12 113.70 106.40 1xr9 s SER 42 Ca -0.13 -1.82 -0.31 0.00 0.70 0.00 0.00 55.95 54.39 1xr9 s SER 42 Cb 0.21 -0.95 -0.08 0.00 -1.71 0.00 0.00 66.02 63.48 1xr9 s SER 42 CO 0.75 -0.39 1.56 -2.84 1.20 0.00 0.00 173.24 173.52 1xr9 s PRO 43 N 1.38 4.23 0.05 5.44 0.02 -1.24 -4.99 135.00 139.89 1xr9 s PRO 43 Ca 0.11 2.25 -0.25 0.00 0.02 0.00 0.00 61.00 63.13 1xr9 s PRO 43 Cb -0.18 -3.43 0.06 0.00 0.02 0.00 0.00 34.50 30.96 1xr9 s PRO 43 CO -0.20 -0.64 0.58 -0.98 -0.33 0.00 0.00 177.00 175.44 1xr9 s ARG 44 N 2.01 1.10 0.13 5.54 1.70 -1.26 -5.05 118.95 123.12 1xr9 s ARG 44 Ca 0.70 -0.15 -0.31 0.00 -0.47 0.00 0.00 55.73 55.50 1xr9 s ARG 44 Cb -0.39 0.51 -0.09 0.00 -0.57 0.00 0.00 34.95 34.41 1xr9 s ARG 44 CO 0.31 -0.41 1.48 1.41 -1.08 0.00 0.00 175.30 177.01 1xr9 s MET 45 N -2.39 4.27 0.02 3.89 -2.45 -1.26 -4.53 119.30 116.85 1xr9 s MET 45 Ca -0.05 2.21 0.06 0.00 -1.25 0.00 0.00 55.69 56.65 1xr9 s MET 45 Cb -0.01 -3.23 -0.02 0.00 1.25 0.00 0.00 34.83 32.83 1xr9 s MET 45 CO -0.01 -0.53 -0.17 0.00 1.05 0.00 0.00 175.02 175.36 1xr9 s ALA 46 N 1.21 1.47 0.42 4.11 0.00 -0.04 -4.86 121.76 124.07 1xr9 s ALA 46 Ca 0.67 -0.88 -0.25 0.00 0.00 0.00 0.00 51.96 51.50 1xr9 s ALA 46 Cb -0.40 -0.30 -0.08 0.00 0.00 0.00 0.00 23.12 22.34 1xr9 s ALA 46 CO 0.31 0.33 1.22 -1.25 0.00 0.00 0.00 175.76 176.36 1xr9 s PRO 47 N -0.92 3.90 0.00 0.00 0.04 -1.26 -1.27 135.00 135.49 1xr9 s PRO 47 Ca 0.05 1.94 0.00 0.00 0.04 0.00 0.00 61.00 63.04 1xr9 s PRO 47 Cb -0.08 -2.61 0.00 0.00 0.04 0.00 0.00 34.50 31.85 1xr9 s PRO 47 CO 0.01 -0.48 0.29 0.54 0.04 0.00 0.00 177.00 177.40 1xr9 n ARG 48 N -0.11 -0.26 -3.97 4.56 5.12 0.84 -4.83 116.66 118.01 1xr9 n ARG 48 Ca 0.05 -0.32 -0.12 0.00 -1.93 0.00 0.00 57.85 55.53 1xr9 n ARG 48 Cb 0.46 -0.74 -0.13 0.00 -1.16 0.00 0.00 32.46 30.89 1xr9 n ARG 48 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1xr9 s ALA 49 N -0.05 0.16 0.41 7.54 0.00 -1.22 -4.68 121.76 123.92 1xr9 s ALA 49 Ca 0.00 -0.29 0.08 0.00 0.00 0.00 0.00 51.96 51.75 1xr9 s ALA 49 Cb 0.00 0.03 0.87 0.00 0.00 0.00 0.00 23.12 24.03 1xr9 s ALA 49 CO 0.00 -0.04 2.03 -1.35 0.00 0.00 0.00 175.76 176.40 1xr9 h PRO 50 N 5.51 0.54 0.00 0.00 0.11 -1.94 -2.81 132.00 133.41 1xr9 h PRO 50 Ca -0.28 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.80 1xr9 h PRO 50 Cb 1.21 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1xr9 h PRO 50 CO 0.47 0.36 0.00 -2.67 -0.21 0.00 0.00 178.00 175.95 1xr9 n TRP 51 N -4.47 0.74 0.71 0.65 4.27 -1.26 -2.05 117.44 116.02 1xr9 n TRP 51 Ca 0.06 0.28 0.12 0.00 -3.89 0.00 0.00 57.50 54.06 1xr9 n TRP 51 Cb 0.15 -0.95 0.13 0.00 -1.36 0.00 0.00 31.31 29.27 1xr9 n TRP 51 CO 0.00 0.00 0.00 1.51 -2.29 0.00 0.00 177.69 176.91 1xr9 n ILE 52 N -2.16 0.17 0.08 -1.67 0.13 -1.06 -4.36 119.36 110.49 1xr9 n ILE 52 Ca 0.03 -0.17 0.04 0.00 -1.10 0.00 0.00 62.75 61.54 1xr9 n ILE 52 Cb 0.25 0.15 0.44 0.00 -0.84 0.00 0.00 39.64 39.64 1xr9 n ILE 52 CO 0.00 0.00 0.00 -0.33 2.80 0.00 0.00 176.55 179.02 1xr9 h GLU 53 N 0.00 0.37 0.00 9.51 5.08 -1.53 -1.87 114.58 126.14 1xr9 h GLU 53 Ca 0.00 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1xr9 h GLU 53 Cb 0.66 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.84 1xr9 h GLU 53 CO 0.00 0.32 0.00 0.00 -1.00 0.00 0.00 179.01 178.33 1xr9 n GLN 54 N -4.42 0.13 -2.02 2.33 10.64 -1.26 -4.77 117.38 118.01 1xr9 n GLN 54 Ca 0.01 0.43 -0.39 0.00 -1.83 0.00 0.00 57.00 55.22 1xr9 n GLN 54 Cb 0.14 -1.78 0.00 0.00 -0.86 0.00 0.00 30.24 27.74 1xr9 n GLN 54 CO 0.00 0.00 0.00 -1.21 -1.83 0.00 0.00 177.06 174.02 1xr9 s GLU 55 N -3.26 3.86 0.92 2.61 0.41 -0.71 -4.99 118.70 117.53 1xr9 s GLU 55 Ca 0.03 2.16 -0.15 0.00 -0.41 0.00 0.00 54.97 56.61 1xr9 s GLU 55 Cb 0.08 -2.68 0.16 0.00 -1.78 0.00 0.00 34.13 29.91 1xr9 s GLU 55 CO 0.30 -0.59 1.28 0.20 -0.49 0.00 0.00 175.26 175.96 1xr9 s GLY 56 N -0.77 1.72 0.43 -1.39 0.00 -1.26 -4.85 107.32 101.21 1xr9 s GLY 56 Ca 0.59 -1.03 0.15 0.00 0.00 0.00 0.00 44.72 44.42 1xr9 s GLY 56 CO 0.49 -0.35 1.96 -2.55 0.00 0.00 0.00 173.10 172.64 1xr9 h PRO 57 N -1.46 0.39 -0.85 2.90 0.11 -1.98 -0.96 132.00 130.15 1xr9 h PRO 57 Ca -0.45 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 1xr9 h PRO 57 Cb 1.26 -0.09 -0.04 0.00 0.11 0.00 0.00 31.00 32.24 1xr9 h PRO 57 CO 0.47 0.26 0.50 0.93 -0.21 0.00 0.00 178.00 179.95 1xr9 h GLU 58 N 0.40 1.17 0.78 1.05 3.07 -1.98 0.93 114.58 120.01 1xr9 h GLU 58 Ca 0.31 -0.12 -0.04 0.00 -0.50 0.00 0.00 59.36 59.02 1xr9 h GLU 58 Cb 0.67 -0.24 0.01 0.00 -0.84 0.00 0.00 28.75 28.35 1xr9 h GLU 58 CO -0.09 0.84 -0.38 -0.92 -1.40 0.00 0.00 179.01 177.06 1xr9 h TYR 59 N 1.18 -0.98 -0.34 4.33 5.03 -1.54 -1.82 116.97 122.83 1xr9 h TYR 59 Ca 0.30 -0.02 -0.02 0.00 2.58 0.00 0.00 58.73 61.57 1xr9 h TYR 59 Cb -0.02 0.32 -0.02 0.00 1.55 0.00 0.00 36.73 38.56 1xr9 h TYR 59 CO 0.00 -0.59 0.14 -1.49 -1.32 0.00 0.00 178.16 174.89 1xr9 h TRP 60 N -1.16 0.47 -0.26 -3.82 4.06 -1.23 -1.85 115.95 112.15 1xr9 h TRP 60 Ca -0.11 -0.01 -0.07 0.00 2.06 0.00 0.00 58.89 60.76 1xr9 h TRP 60 Cb 0.82 -0.15 -0.01 0.00 -1.00 0.00 0.00 29.16 28.83 1xr9 h TRP 60 CO -0.01 0.37 -0.11 0.22 -3.56 0.00 0.00 178.44 175.36 1xr9 h ASP 61 N 0.48 0.55 -0.07 -3.49 3.58 -0.84 -1.02 116.42 115.60 1xr9 h ASP 61 Ca 0.12 -0.40 0.02 0.00 0.42 0.00 0.00 57.03 57.19 1xr9 h ASP 61 Cb 0.10 -0.15 -0.02 0.00 1.72 0.00 0.00 39.33 40.98 1xr9 h ASP 61 CO -0.01 0.82 -0.04 -0.09 -2.88 0.00 0.00 179.24 177.04 1xr9 h ARG 62 N 0.27 -0.03 -0.59 0.28 2.43 -0.78 -0.97 114.38 114.98 1xr9 h ARG 62 Ca 0.06 0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 59.14 1xr9 h ARG 62 Cb 0.61 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.15 1xr9 h ARG 62 CO 0.04 -0.02 0.01 0.93 -1.51 0.00 0.00 179.97 179.41 1xr9 h GLU 63 N -0.04 1.04 -0.25 0.20 4.39 -1.34 -1.35 114.58 117.25 1xr9 h GLU 63 Ca 0.04 -0.33 -0.00 0.00 0.34 0.00 0.00 59.36 59.41 1xr9 h GLU 63 Cb 0.10 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 1xr9 h GLU 63 CO -0.09 1.02 0.14 1.15 -1.16 0.00 0.00 179.01 180.07 1xr9 h THR 64 N 0.94 1.10 -0.70 1.13 2.02 -1.12 -1.71 112.91 114.57 1xr9 h THR 64 Ca 0.17 -0.25 -0.00 0.00 0.77 0.00 0.00 66.41 67.10 1xr9 h THR 64 Cb 0.55 0.82 -0.03 0.00 -1.74 0.00 0.00 68.15 67.74 1xr9 h THR 64 CO 0.03 0.10 0.42 1.56 0.37 0.00 0.00 175.52 178.00 1xr9 h GLN 65 N 0.30 0.95 -0.56 6.66 7.50 -0.95 0.11 115.11 129.12 1xr9 h GLN 65 Ca 0.09 -0.08 -0.03 0.00 0.50 0.00 0.00 58.65 59.12 1xr9 h GLN 65 Cb 0.03 -0.20 -0.02 0.00 0.05 0.00 0.00 27.48 27.34 1xr9 h GLN 65 CO -0.02 0.67 0.23 0.82 -1.50 0.00 0.00 178.83 179.04 1xr9 h ILE 66 N 0.95 1.22 -0.22 2.54 2.04 -1.22 -1.14 117.51 121.68 1xr9 h ILE 66 Ca 0.25 -0.67 -0.15 0.00 1.00 0.00 0.00 64.86 65.29 1xr9 h ILE 66 Cb -0.04 0.62 -0.01 0.00 -0.74 0.00 0.00 36.82 36.66 1xr9 h ILE 66 CO -0.05 0.26 -0.49 0.28 0.00 0.00 0.00 178.15 178.15 1xr9 h SER 67 N 0.76 0.66 -0.54 1.72 0.02 -0.77 0.21 113.55 115.61 1xr9 h SER 67 Ca 0.19 -0.33 -0.08 0.00 -0.84 0.00 0.00 61.79 60.73 1xr9 h SER 67 Cb 0.19 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.52 1xr9 h SER 67 CO -0.02 1.04 0.04 0.11 -1.14 0.00 0.00 176.83 176.86 1xr9 h LYS 68 N 0.48 0.94 -0.34 3.45 1.57 -0.69 0.55 116.57 122.52 1xr9 h LYS 68 Ca 0.02 -0.28 0.02 0.00 -1.87 0.00 0.00 60.65 58.54 1xr9 h LYS 68 Cb 1.03 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 33.22 1xr9 h LYS 68 CO 0.10 0.93 0.19 1.15 -0.57 0.00 0.00 179.45 181.25 1xr9 h THR 69 N 0.82 1.02 -0.88 -0.16 2.02 -0.87 -2.82 112.91 112.04 1xr9 h THR 69 Ca 0.16 -0.13 0.01 0.00 0.77 0.00 0.00 66.41 67.21 1xr9 h THR 69 Cb 0.49 0.60 -0.04 0.00 -1.74 0.00 0.00 68.15 67.45 1xr9 h THR 69 CO 0.02 0.07 0.57 0.78 0.37 0.00 0.00 175.52 177.34 1xr9 h ASN 70 N 0.39 1.03 -0.40 4.18 -0.26 -0.35 -0.78 115.58 119.38 1xr9 h ASN 70 Ca 0.14 -0.03 0.08 0.00 -0.56 0.00 0.00 56.30 55.92 1xr9 h ASN 70 Cb 0.02 -0.26 -0.08 0.00 -1.06 0.00 0.00 38.32 36.95 1xr9 h ASN 70 CO -0.08 0.75 -0.12 0.74 -1.06 0.00 0.00 177.43 177.67 1xr9 h THR 71 N 1.20 0.56 -0.30 2.81 2.02 -0.65 0.20 112.91 118.76 1xr9 h THR 71 Ca 0.32 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.46 1xr9 h THR 71 Cb -0.12 0.56 -0.01 0.00 -1.74 0.00 0.00 68.15 66.84 1xr9 h THR 71 CO -0.07 0.00 0.04 1.56 0.37 0.00 0.00 175.52 177.42 1xr9 h GLN 72 N -0.03 0.50 -0.50 6.66 1.08 -1.23 -2.55 115.11 119.05 1xr9 h GLN 72 Ca 0.19 -0.14 -0.01 0.00 -1.45 0.00 0.00 58.65 57.24 1xr9 h GLN 72 Cb 0.32 -0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 27.67 1xr9 h GLN 72 CO -0.42 0.62 0.25 1.15 -0.95 0.00 0.00 178.83 179.48 1xr9 h THR 73 N 0.32 1.18 0.00 -0.54 2.02 -0.67 -2.41 112.91 112.81 1xr9 h THR 73 Ca 0.09 -0.50 -0.09 0.00 0.77 0.00 0.00 66.41 66.68 1xr9 h THR 73 Cb 0.37 0.60 -0.01 0.00 -1.74 0.00 0.00 68.15 67.36 1xr9 h THR 73 CO 0.01 0.20 -0.45 1.88 0.37 0.00 0.00 175.52 177.53 1xr9 h TYR 74 N 0.66 0.00 -0.12 3.16 -1.99 -0.66 0.16 116.97 118.18 1xr9 h TYR 74 Ca 0.17 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.90 1xr9 h TYR 74 Cb 0.09 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.81 1xr9 h TYR 74 CO -0.01 0.45 0.05 0.00 -0.00 0.00 0.00 178.16 178.65 1xr9 h ARG 75 N 0.00 0.17 -0.58 4.88 3.08 -1.15 -0.29 114.38 120.50 1xr9 h ARG 75 Ca -0.00 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.00 1xr9 h ARG 75 Cb 0.80 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.80 1xr9 h ARG 75 CO 0.06 0.25 0.29 1.49 -1.07 0.00 0.00 179.97 180.99 1xr9 h GLU 76 N 0.05 0.82 -0.43 0.04 4.57 -0.99 -1.95 114.58 116.70 1xr9 h GLU 76 Ca 0.04 -0.11 0.07 0.00 -1.18 0.00 0.00 59.36 58.18 1xr9 h GLU 76 Cb 0.14 -0.15 -0.06 0.00 -0.16 0.00 0.00 28.75 28.52 1xr9 h GLU 76 CO -0.00 0.66 0.09 0.77 -1.18 0.00 0.00 179.01 179.35 1xr9 h SER 77 N 0.78 0.02 -0.99 1.04 0.02 -0.58 -0.02 113.55 113.82 1xr9 h SER 77 Ca 0.20 0.07 0.03 0.00 -0.84 0.00 0.00 61.79 61.25 1xr9 h SER 77 Cb 0.09 0.09 -0.06 0.00 0.14 0.00 0.00 62.40 62.67 1xr9 h SER 77 CO -0.03 0.05 0.65 -0.07 -1.14 0.00 0.00 176.83 176.29 1xr9 h LEU 78 N 0.23 1.10 -0.62 5.07 3.38 -0.74 0.20 115.31 123.92 1xr9 h LEU 78 Ca 0.21 -0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.21 1xr9 h LEU 78 Cb 0.26 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.71 1xr9 h LEU 78 CO -0.27 0.76 0.36 -0.09 0.09 0.00 0.00 178.44 179.30 1xr9 h ARG 79 N 1.28 0.68 -0.37 1.13 2.43 -0.53 -1.69 114.38 117.31 1xr9 h ARG 79 Ca 0.39 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.48 1xr9 h ARG 79 Cb -0.03 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.35 1xr9 h ARG 79 CO -0.12 0.45 0.07 -0.91 -1.51 0.00 0.00 179.97 177.96 1xr9 h ASN 80 N 0.70 0.57 -0.71 -3.80 2.35 -0.31 -2.74 115.58 111.64 1xr9 h ASN 80 Ca 0.26 -0.25 -0.04 0.00 -0.55 0.00 0.00 56.30 55.73 1xr9 h ASN 80 Cb 0.09 -0.15 -0.03 0.00 0.05 0.00 0.00 38.32 38.28 1xr9 h ASN 80 CO -0.14 0.68 0.31 -0.07 -1.65 0.00 0.00 177.43 176.56 1xr9 h LEU 81 N 0.45 0.96 -0.55 1.61 3.38 -0.82 0.30 115.31 120.64 1xr9 h LEU 81 Ca 0.11 -0.16 0.06 0.00 0.09 0.00 0.00 57.88 57.98 1xr9 h LEU 81 Cb 0.34 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.79 1xr9 h LEU 81 CO 0.00 0.86 0.27 -0.09 0.09 0.00 0.00 178.44 179.57 1xr9 h ARG 82 N 1.01 0.50 -0.67 1.13 2.43 -1.24 -1.90 114.38 115.63 1xr9 h ARG 82 Ca 0.24 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.37 1xr9 h ARG 82 Cb 0.18 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.58 1xr9 h ARG 82 CO -0.02 0.33 0.40 0.78 -1.51 0.00 0.00 179.97 179.95 1xr9 h GLY 83 N 0.52 0.99 2.00 2.80 0.00 -1.07 -0.06 103.07 108.25 1xr9 h GLY 83 Ca 0.25 -0.42 -0.02 0.00 0.00 0.00 0.00 47.33 47.15 1xr9 h GLY 83 CO -0.19 0.40 -0.08 -0.97 0.00 0.00 0.00 176.54 175.71 1xr9 h TYR 84 N 0.92 0.00 -0.42 5.60 0.05 -0.18 -2.22 116.97 120.71 1xr9 h TYR 84 Ca 0.24 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.02 1xr9 h TYR 84 Cb -0.01 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.73 1xr9 h TYR 84 CO -0.01 0.08 0.00 0.66 -1.05 0.00 0.00 178.16 177.84 1xr9 n TYR 85 N -3.99 0.62 -3.44 4.88 4.01 -0.93 -4.79 117.16 113.51 1xr9 n TYR 85 Ca -0.02 -0.53 -0.24 0.00 -0.16 0.00 0.00 57.90 56.95 1xr9 n TYR 85 Cb 0.17 -0.05 0.05 0.00 -0.31 0.00 0.00 39.34 39.21 1xr9 n TYR 85 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1xr9 n ASN 86 N 0.67 -5.93 -4.88 7.72 3.02 -0.69 -4.95 115.26 110.22 1xr9 n ASN 86 Ca 0.15 -0.48 -0.32 0.00 -0.03 0.00 0.00 54.58 53.90 1xr9 n ASN 86 Cb 0.50 -4.72 -0.05 0.00 -0.61 0.00 0.00 39.78 34.90 1xr9 n ASN 86 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1xr9 s GLN 87 N -6.14 3.71 0.48 3.52 -0.21 -0.12 -5.03 119.66 115.86 1xr9 s GLN 87 Ca 0.50 0.09 -0.23 0.00 0.02 0.00 0.00 55.36 55.74 1xr9 s GLN 87 Cb -0.23 -2.77 -0.08 0.00 1.00 0.00 0.00 33.01 30.94 1xr9 s GLN 87 CO 0.61 0.40 1.15 0.45 -2.12 0.00 0.00 175.29 175.79 1xr9 n SER 88 N 0.04 1.88 0.11 5.90 2.88 -1.26 -4.72 113.62 118.43 1xr9 n SER 88 Ca -0.01 1.01 0.10 0.00 -1.33 0.00 0.00 58.87 58.63 1xr9 n SER 88 Cb 0.52 -1.45 0.44 0.00 -0.75 0.00 0.00 64.21 62.97 1xr9 n SER 88 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1xr9 n GLU 89 N -0.31 0.13 0.14 -1.46 1.02 -1.26 -3.56 120.64 115.33 1xr9 n GLU 89 Ca 0.09 0.48 0.12 0.00 -0.02 0.00 0.00 57.16 57.84 1xr9 n GLU 89 Cb 0.42 -1.81 0.16 0.00 -0.02 0.00 0.00 31.44 30.19 1xr9 n GLU 89 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1xr9 h ALA 90 N 2.17 0.78 -2.40 0.62 0.00 -1.98 -3.44 119.26 115.02 1xr9 h ALA 90 Ca 0.00 0.00 -0.51 0.00 0.00 0.00 0.00 54.91 54.40 1xr9 h ALA 90 Cb 0.18 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 1xr9 h ALA 90 CO 0.00 0.00 -0.12 0.20 0.00 0.00 0.00 179.25 179.33 1xr9 s GLY 91 N -4.04 1.78 0.07 0.00 0.00 -1.23 -4.71 107.32 99.20 1xr9 s GLY 91 Ca 0.05 -0.58 -0.09 0.00 0.00 0.00 0.00 44.72 44.11 1xr9 s GLY 91 CO 0.70 -0.47 0.38 -0.56 0.00 0.00 0.00 173.10 173.15 1xr9 s SER 92 N -3.31 6.61 0.09 1.64 0.01 -1.26 -4.63 113.70 112.85 1xr9 s SER 92 Ca 0.44 0.75 -0.05 0.00 1.31 0.00 0.00 55.95 58.40 1xr9 s SER 92 Cb -0.11 -2.16 -0.02 0.00 0.21 0.00 0.00 66.02 63.94 1xr9 s SER 92 CO 0.31 0.17 0.10 -1.00 0.41 0.00 0.00 173.24 173.24 1xr9 s HIS 93 N -1.40 0.45 -0.04 2.43 3.76 -1.26 -4.96 115.29 114.27 1xr9 s HIS 93 Ca 0.33 -0.90 0.03 0.00 -0.15 0.00 0.00 55.06 54.36 1xr9 s HIS 93 Cb -0.14 -0.25 0.01 0.00 1.11 0.00 0.00 32.58 33.31 1xr9 s HIS 93 CO 0.18 -0.51 -0.11 0.99 -0.85 0.00 0.00 174.74 174.45 1xr9 s THR 94 N -3.93 0.96 -0.16 1.30 2.01 -1.26 -1.07 115.64 113.49 1xr9 s THR 94 Ca 0.11 -0.42 0.01 0.00 0.31 0.00 0.00 61.69 61.69 1xr9 s THR 94 Cb 0.06 -0.87 0.01 0.00 0.01 0.00 0.00 72.50 71.71 1xr9 s THR 94 CO -0.07 0.30 -0.18 -0.22 -0.69 0.00 0.00 174.62 173.77 1xr9 s LEU 95 N 0.40 2.31 0.09 4.42 2.96 0.59 -0.38 118.68 129.07 1xr9 s LEU 95 Ca -0.08 -0.55 0.10 0.00 -0.22 0.00 0.00 54.13 53.38 1xr9 s LEU 95 Cb -0.12 -1.52 -0.04 0.00 0.50 0.00 0.00 46.19 45.02 1xr9 s LEU 95 CO 0.02 0.06 -0.25 -1.10 -1.32 0.00 0.00 176.35 173.75 1xr9 s GLN 96 N 0.96 1.63 0.00 1.98 -0.21 0.05 -0.48 119.66 123.60 1xr9 s GLN 96 Ca -0.03 -1.22 0.02 0.00 0.02 0.00 0.00 55.36 54.15 1xr9 s GLN 96 Cb -0.15 -1.97 -0.01 0.00 1.00 0.00 0.00 33.01 31.89 1xr9 s GLN 96 CO -0.04 0.48 -0.07 0.50 -2.12 0.00 0.00 175.29 174.04 1xr9 s ARG 97 N -1.72 0.58 -0.05 2.91 3.52 -0.48 -0.91 118.95 122.80 1xr9 s ARG 97 Ca 0.14 -0.32 -0.00 0.00 -0.13 0.00 0.00 55.73 55.41 1xr9 s ARG 97 Cb -0.10 -0.54 0.03 0.00 -1.56 0.00 0.00 34.95 32.78 1xr9 s ARG 97 CO 0.05 0.14 0.00 1.41 -0.81 0.00 0.00 175.30 176.10 1xr9 s MET 98 N -0.34 0.43 0.10 5.12 -2.45 -0.19 -0.40 119.30 121.57 1xr9 s MET 98 Ca 0.01 0.11 -0.06 0.00 -1.25 0.00 0.00 55.69 54.51 1xr9 s MET 98 Cb -0.04 -0.71 -0.02 0.00 1.25 0.00 0.00 34.83 35.32 1xr9 s MET 98 CO -0.00 -0.21 0.13 1.52 1.05 0.00 0.00 175.02 177.50 1xr9 s TYR 99 N 1.51 0.39 -5.00 4.11 -0.85 -0.68 -0.98 117.35 115.84 1xr9 s TYR 99 Ca -0.03 -0.83 0.00 0.00 -0.52 0.00 0.00 57.07 55.69 1xr9 s TYR 99 Cb -0.13 -0.21 0.00 0.00 0.38 0.00 0.00 41.96 42.00 1xr9 s TYR 99 CO -0.03 -0.52 0.00 0.41 -1.52 0.00 0.00 175.55 173.89 1xr9 n GLY 100 N -0.04 -0.69 3.26 5.49 0.00 -0.39 -0.84 105.19 111.97 1xr9 n GLY 100 Ca -0.12 -1.38 -0.20 0.00 0.00 0.00 0.00 46.02 44.31 1xr9 n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xr9 s ASP 102 N -2.18 3.40 0.07 0.00 1.01 -0.18 -0.93 116.67 117.87 1xr9 s ASP 102 Ca 0.07 -0.40 0.05 0.00 0.71 0.00 0.00 52.55 52.98 1xr9 s ASP 102 Cb -0.08 -0.78 -0.03 0.00 1.01 0.00 0.00 42.92 43.05 1xr9 s ASP 102 CO 0.04 0.28 -0.14 0.68 0.21 0.00 0.00 175.17 176.24 1xr9 s VAL 103 N -0.39 1.11 0.82 -1.27 -7.23 0.17 0.18 120.40 113.81 1xr9 s VAL 103 Ca 0.03 -1.32 -0.05 0.00 -1.81 0.00 0.00 61.98 58.83 1xr9 s VAL 103 Cb -0.12 -1.09 0.17 0.00 0.56 0.00 0.00 36.38 35.90 1xr9 s VAL 103 CO 0.02 -0.24 1.13 -0.83 -0.31 0.00 0.00 175.10 174.87 1xr9 s GLY 104 N -1.77 1.77 0.48 2.32 0.00 -0.82 -1.16 107.32 108.13 1xr9 s GLY 104 Ca -0.02 -1.73 0.33 0.00 0.00 0.00 0.00 44.72 43.31 1xr9 s GLY 104 CO 0.02 -1.03 1.70 -2.55 0.00 0.00 0.00 173.10 171.23 1xr9 h PRO 105 N -0.96 0.10 -0.06 2.90 0.11 -1.79 0.24 132.00 132.55 1xr9 h PRO 105 Ca -0.37 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.73 1xr9 h PRO 105 Cb 1.25 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1xr9 h PRO 105 CO 0.35 0.07 0.00 -0.40 -0.21 0.00 0.00 178.00 177.81 1xr9 n ASP 106 N -4.39 0.67 0.00 -2.05 5.75 -1.26 -4.90 116.55 110.36 1xr9 n ASP 106 Ca 0.33 -1.50 0.00 0.00 -0.01 0.00 0.00 54.79 53.61 1xr9 n ASP 106 Cb 1.38 -0.04 0.00 0.00 -1.03 0.00 0.00 41.12 41.43 1xr9 n ASP 106 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1xr9 n GLY 107 N 0.94 0.83 3.86 6.12 0.00 0.85 -5.02 105.19 112.77 1xr9 n GLY 107 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 1xr9 n GLY 107 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xr9 s ARG 108 N -0.02 3.92 0.17 1.61 0.52 -1.26 -4.79 118.95 119.10 1xr9 s ARG 108 Ca 0.00 0.55 -0.32 0.00 -0.52 0.00 0.00 55.73 55.44 1xr9 s ARG 108 Cb 0.00 -2.47 -0.11 0.00 0.52 0.00 0.00 34.95 32.88 1xr9 s ARG 108 CO 0.00 0.17 1.78 -0.11 0.02 0.00 0.00 175.30 177.16 1xr9 n LEU 109 N -0.45 4.04 -0.09 2.53 7.94 -1.26 -1.95 117.00 127.76 1xr9 n LEU 109 Ca 0.03 1.02 -0.23 0.00 -1.11 0.00 0.00 56.01 55.72 1xr9 n LEU 109 Cb 0.53 -1.56 -0.12 0.00 0.53 0.00 0.00 43.42 42.80 1xr9 n LEU 109 CO 0.43 0.19 -0.79 0.18 -1.11 0.00 0.00 177.39 176.29 1xr9 n LEU 110 N 4.80 2.12 -3.57 -1.96 4.77 0.13 -4.87 117.00 118.41 1xr9 n LEU 110 Ca 0.17 0.33 -0.06 0.00 -0.03 0.00 0.00 56.01 56.42 1xr9 n LEU 110 Cb 0.36 -0.98 -0.03 0.00 -2.33 0.00 0.00 43.42 40.45 1xr9 n LEU 110 CO 0.65 0.49 0.90 0.00 -1.33 0.00 0.00 177.39 178.10 1xr9 s ARG 111 N -2.44 0.47 0.28 3.23 1.70 -1.18 -5.01 118.95 115.99 1xr9 s ARG 111 Ca -0.29 -0.12 0.08 0.00 -0.47 0.00 0.00 55.73 54.92 1xr9 s ARG 111 Cb 0.08 0.22 -0.04 0.00 -0.57 0.00 0.00 34.95 34.64 1xr9 s ARG 111 CO 0.62 -0.20 0.19 0.20 -1.08 0.00 0.00 175.30 175.03 1xr9 s GLY 112 N -2.05 1.57 -0.01 3.88 0.00 -1.26 -1.01 107.32 108.45 1xr9 s GLY 112 Ca 0.07 -1.54 -0.02 0.00 0.00 0.00 0.00 44.72 43.22 1xr9 s GLY 112 CO -0.05 -1.55 0.06 0.30 0.00 0.00 0.00 173.10 171.85 1xr9 s HIS 113 N -2.23 0.00 -0.28 1.90 0.09 0.30 -4.85 115.29 110.23 1xr9 s HIS 113 Ca 0.35 0.01 -0.07 0.00 -0.00 0.00 0.00 55.06 55.34 1xr9 s HIS 113 Cb -0.07 -0.02 0.13 0.00 -0.00 0.00 0.00 32.58 32.62 1xr9 s HIS 113 CO 0.24 -0.09 0.58 0.34 -0.00 0.00 0.00 174.74 175.81 1xr9 s ASP 114 N -0.41 -0.92 0.02 1.40 2.15 -1.26 -1.26 116.67 116.38 1xr9 s ASP 114 Ca -0.05 1.24 -0.00 0.00 0.43 0.00 0.00 52.55 54.17 1xr9 s ASP 114 Cb -0.03 2.01 -0.02 0.00 -0.30 0.00 0.00 42.92 44.58 1xr9 s ASP 114 CO 0.00 -0.24 -0.02 -1.10 -0.17 0.00 0.00 175.17 173.65 1xr9 s GLN 115 N 2.81 0.29 0.10 4.34 -0.21 -0.15 -0.21 119.66 126.63 1xr9 s GLN 115 Ca 0.01 -0.55 0.04 0.00 0.02 0.00 0.00 55.36 54.88 1xr9 s GLN 115 Cb -0.13 0.11 -0.04 0.00 1.00 0.00 0.00 33.01 33.95 1xr9 s GLN 115 CO -0.18 -0.05 -0.10 -1.12 -2.12 0.00 0.00 175.29 171.72 1xr9 s SER 116 N -1.34 1.46 0.04 5.90 0.01 0.23 -1.02 113.70 118.98 1xr9 s SER 116 Ca -0.15 -0.82 0.02 0.00 1.31 0.00 0.00 55.95 56.31 1xr9 s SER 116 Cb -0.09 0.01 -0.02 0.00 0.21 0.00 0.00 66.02 66.12 1xr9 s SER 116 CO -0.01 -0.27 -0.07 0.00 0.41 0.00 0.00 173.24 173.31 1xr9 s ALA 117 N -2.48 0.50 -0.10 1.44 0.00 -0.08 -0.75 121.76 120.28 1xr9 s ALA 117 Ca 0.06 -0.72 0.02 0.00 0.00 0.00 0.00 51.96 51.32 1xr9 s ALA 117 Cb -0.03 0.05 0.01 0.00 0.00 0.00 0.00 23.12 23.16 1xr9 s ALA 117 CO -0.00 -0.04 -0.18 -0.47 0.00 0.00 0.00 175.76 175.08 1xr9 s TYR 118 N -1.34 2.08 -1.77 0.00 5.04 -0.16 -0.77 117.35 120.43 1xr9 s TYR 118 Ca -0.10 -0.92 -0.19 0.00 -2.44 0.00 0.00 57.07 53.42 1xr9 s TYR 118 Cb -0.10 -1.46 0.18 0.00 0.35 0.00 0.00 41.96 40.93 1xr9 s TYR 118 CO 0.00 -0.43 0.64 -0.25 -1.34 0.00 0.00 175.55 174.17 1xr9 n ASP 119 N 3.93 -2.27 0.00 4.32 8.00 0.49 -1.63 116.55 129.40 1xr9 n ASP 119 Ca -0.20 -1.14 0.00 0.00 0.71 0.00 0.00 54.79 54.16 1xr9 n ASP 119 Cb 0.52 -2.17 0.00 0.00 -0.02 0.00 0.00 41.12 39.45 1xr9 n ASP 119 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1xr9 n GLY 120 N -1.34 0.68 3.54 0.44 0.00 -1.26 -5.02 105.19 102.24 1xr9 n GLY 120 Ca 0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.74 1xr9 n GLY 120 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xr9 s LYS 121 N -0.05 3.12 0.22 1.61 1.02 -0.64 -5.08 119.74 119.94 1xr9 s LYS 121 Ca 0.00 -0.54 -0.31 0.00 0.02 0.00 0.00 55.97 55.14 1xr9 s LYS 121 Cb 0.00 -2.71 -0.15 0.00 -0.52 0.00 0.00 37.83 34.45 1xr9 s LYS 121 CO 0.00 0.49 1.15 -0.25 -0.92 0.00 0.00 175.35 175.82 1xr9 n ASP 122 N 2.75 1.52 0.04 2.83 8.00 -1.26 -0.99 116.55 129.44 1xr9 n ASP 122 Ca -0.18 1.15 -0.01 0.00 0.71 0.00 0.00 54.79 56.47 1xr9 n ASP 122 Cb 0.53 -1.27 -0.00 0.00 -0.02 0.00 0.00 41.12 40.36 1xr9 n ASP 122 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xr9 n TYR 123 N 1.13 0.00 -3.79 1.24 9.36 0.07 -4.70 117.16 120.47 1xr9 n TYR 123 Ca 0.13 0.00 -0.13 0.00 3.32 0.00 0.00 57.90 61.22 1xr9 n TYR 123 Cb 0.28 -0.03 -0.10 0.00 -0.63 0.00 0.00 39.34 38.86 1xr9 n TYR 123 CO 0.00 0.00 0.00 -1.50 0.22 0.00 0.00 176.86 175.58 1xr9 s ILE 124 N -1.96 0.05 -0.01 2.97 2.07 -1.13 -0.77 121.20 122.42 1xr9 s ILE 124 Ca -0.02 -0.37 -0.00 0.00 -1.41 0.00 0.00 60.65 58.84 1xr9 s ILE 124 Cb 0.00 -0.51 0.00 0.00 0.13 0.00 0.00 42.46 42.09 1xr9 s ILE 124 CO 0.03 -0.21 0.02 0.00 -1.91 0.00 0.00 174.94 172.87 1xr9 s ALA 125 N -0.88 -0.02 0.04 1.50 0.00 -0.53 -0.60 121.76 121.27 1xr9 s ALA 125 Ca -0.10 0.07 -0.31 0.00 0.00 0.00 0.00 51.96 51.63 1xr9 s ALA 125 Cb -0.05 -0.05 -0.06 0.00 0.00 0.00 0.00 23.12 22.96 1xr9 s ALA 125 CO 0.02 -0.02 1.34 -1.17 0.00 0.00 0.00 175.76 175.94 1xr9 s LEU 126 N 0.14 4.34 0.93 0.00 2.96 0.70 -0.57 118.68 127.18 1xr9 s LEU 126 Ca -0.01 2.14 -0.11 0.00 -0.22 0.00 0.00 54.13 55.92 1xr9 s LEU 126 Cb -0.02 -3.57 0.15 0.00 0.50 0.00 0.00 46.19 43.25 1xr9 s LEU 126 CO -0.00 -0.64 1.09 0.20 -1.32 0.00 0.00 176.35 175.68 1xr9 s ASN 127 N 1.46 3.09 0.55 3.68 0.01 0.35 -4.56 114.94 119.52 1xr9 s ASN 127 Ca 0.63 1.58 0.27 0.00 -0.71 0.00 0.00 52.86 54.62 1xr9 s ASN 127 Cb -0.32 -2.24 1.57 0.00 0.41 0.00 0.00 41.25 40.67 1xr9 s ASN 127 CO 0.28 -2.89 2.15 -0.08 -1.51 0.00 0.00 177.10 175.04 1xr9 h GLU 128 N -1.72 0.00 0.00 -0.60 4.81 -1.88 -0.66 114.58 114.52 1xr9 h GLU 128 Ca -0.50 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 1xr9 h GLU 128 Cb 1.29 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.67 1xr9 h GLU 128 CO 0.52 0.07 0.00 -0.40 -0.73 0.00 0.00 179.01 178.47 1xr9 n ASP 129 N -3.81 0.24 -2.33 1.04 5.68 -1.26 -4.78 116.55 111.33 1xr9 n ASP 129 Ca -0.02 0.59 -0.19 0.00 -0.50 0.00 0.00 54.79 54.67 1xr9 n ASP 129 Cb 0.17 -0.63 -0.02 0.00 -1.14 0.00 0.00 41.12 39.50 1xr9 n ASP 129 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1xr9 n LEU 130 N -1.80 -1.75 0.00 -2.12 4.77 -0.26 -4.80 117.00 111.04 1xr9 n LEU 130 Ca 0.01 0.07 0.00 0.00 -0.03 0.00 0.00 56.01 56.06 1xr9 n LEU 130 Cb 0.08 -2.78 0.00 0.00 -2.33 0.00 0.00 43.42 38.40 1xr9 n LEU 130 CO 0.09 -0.27 -0.02 -1.54 -1.33 0.00 0.00 177.39 174.32 1xr9 n SER 131 N -1.90 0.16 -4.12 -1.43 3.41 -1.26 -4.36 113.62 104.11 1xr9 n SER 131 Ca -0.22 -0.03 -0.09 0.00 -0.26 0.00 0.00 58.87 58.27 1xr9 n SER 131 Cb 0.67 0.08 -0.10 0.00 -0.26 0.00 0.00 64.21 64.61 1xr9 n SER 131 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1xr9 s SER 132 N -0.12 0.30 0.18 4.04 1.04 -1.26 -4.88 113.70 113.00 1xr9 s SER 132 Ca 0.00 -1.15 0.11 0.00 0.48 0.00 0.00 55.95 55.39 1xr9 s SER 132 Cb 0.00 0.30 -0.04 0.00 0.10 0.00 0.00 66.02 66.38 1xr9 s SER 132 CO 0.00 -0.73 -0.24 0.26 0.98 0.00 0.00 173.24 173.51 1xr9 s TRP 133 N -4.03 2.28 -0.29 5.02 0.52 -1.26 -0.49 118.94 120.69 1xr9 s TRP 133 Ca 0.21 -0.37 -0.03 0.00 0.02 0.00 0.00 56.10 55.93 1xr9 s TRP 133 Cb 0.07 -1.16 0.03 0.00 -1.15 0.00 0.00 33.47 31.27 1xr9 s TRP 133 CO 0.00 0.45 0.01 0.99 0.02 0.00 0.00 176.95 178.42 1xr9 s THR 134 N -1.54 3.23 -0.05 2.01 2.01 0.26 -4.88 115.64 116.69 1xr9 s THR 134 Ca 0.19 -1.11 -0.17 0.00 0.31 0.00 0.00 61.69 60.91 1xr9 s THR 134 Cb -0.08 -2.75 -0.05 0.00 0.01 0.00 0.00 72.50 69.63 1xr9 s THR 134 CO 0.09 0.02 0.46 0.00 -0.69 0.00 0.00 174.62 174.50 1xr9 s ALA 135 N 1.34 3.58 0.06 7.40 0.00 -1.26 -1.45 121.76 131.42 1xr9 s ALA 135 Ca -0.02 -0.17 0.14 0.00 0.00 0.00 0.00 51.96 51.91 1xr9 s ALA 135 Cb -0.18 -2.55 0.21 0.00 0.00 0.00 0.00 23.12 20.61 1xr9 s ALA 135 CO -0.01 0.24 1.51 0.00 0.00 0.00 0.00 175.76 177.50 1xr9 h ALA 136 N 5.64 0.72 -3.08 0.00 0.00 -1.23 -3.47 119.26 117.84 1xr9 h ALA 136 Ca -0.46 -0.55 -0.06 0.00 0.00 0.00 0.00 54.91 53.84 1xr9 h ALA 136 Cb 1.20 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 1xr9 h ALA 136 CO 0.68 0.75 0.20 -0.40 0.00 0.00 0.00 179.25 180.49 1xr9 n ASP 137 N -3.41 -2.05 0.26 0.00 5.68 -1.26 -5.03 116.55 110.73 1xr9 n ASP 137 Ca 0.00 -2.55 0.13 0.00 -0.50 0.00 0.00 54.79 51.87 1xr9 n ASP 137 Cb 0.70 3.46 0.71 0.00 -1.14 0.00 0.00 41.12 44.85 1xr9 n ASP 137 CO 0.00 0.00 0.00 0.71 -1.33 0.00 0.00 177.20 176.58 1xr9 h THR 138 N 1.94 0.55 -0.00 2.12 1.35 -1.99 -1.26 112.91 115.61 1xr9 h THR 138 Ca -0.31 -0.58 -0.00 0.00 -0.55 0.00 0.00 66.41 64.97 1xr9 h THR 138 Cb 1.16 1.38 -0.00 0.00 -1.73 0.00 0.00 68.15 68.96 1xr9 h THR 138 CO 0.39 0.12 -0.00 0.00 -0.25 0.00 0.00 175.52 175.79 1xr9 h ALA 139 N 1.87 0.00 0.00 6.62 0.00 -1.97 -3.05 119.26 122.73 1xr9 h ALA 139 Ca -0.00 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 1xr9 h ALA 139 Cb 0.37 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 1xr9 h ALA 139 CO 0.02 -0.32 -0.13 0.00 0.00 0.00 0.00 179.25 178.82 1xr9 h ALA 140 N 0.64 1.75 -0.68 0.00 0.00 -1.71 -1.27 119.26 118.00 1xr9 h ALA 140 Ca 0.00 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 54.81 1xr9 h ALA 140 Cb 0.36 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 1xr9 h ALA 140 CO 0.00 0.16 0.45 1.96 0.00 0.00 0.00 179.25 181.82 1xr9 h GLN 141 N 0.00 0.85 -0.36 0.00 4.20 -1.15 0.21 115.11 118.86 1xr9 h GLN 141 Ca -0.00 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.66 1xr9 h GLN 141 Cb 0.23 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 27.80 1xr9 h GLN 141 CO 0.02 0.56 0.22 0.82 -0.67 0.00 0.00 178.83 179.78 1xr9 h ILE 142 N 0.88 1.12 -0.34 2.54 1.08 -1.13 -1.01 117.51 120.64 1xr9 h ILE 142 Ca 0.26 -0.26 0.00 0.00 -0.39 0.00 0.00 64.86 64.47 1xr9 h ILE 142 Cb -0.04 0.64 -0.02 0.00 -3.07 0.00 0.00 36.82 34.34 1xr9 h ILE 142 CO -0.06 0.12 0.22 0.74 -0.69 0.00 0.00 178.15 178.47 1xr9 h THR 143 N 0.47 1.09 -0.55 -0.27 2.02 -1.27 -2.13 112.91 112.27 1xr9 h THR 143 Ca 0.13 -0.18 0.08 0.00 0.77 0.00 0.00 66.41 67.21 1xr9 h THR 143 Cb -0.00 0.61 -0.06 0.00 -1.74 0.00 0.00 68.15 66.95 1xr9 h THR 143 CO -0.02 0.09 0.20 -0.61 0.37 0.00 0.00 175.52 175.54 1xr9 h GLN 144 N 0.45 0.36 -0.65 6.66 4.15 -0.37 0.47 115.11 126.19 1xr9 h GLN 144 Ca 0.12 -0.02 0.01 0.00 0.77 0.00 0.00 58.65 59.53 1xr9 h GLN 144 Cb -0.04 -0.08 -0.03 0.00 0.21 0.00 0.00 27.48 27.53 1xr9 h GLN 144 CO -0.03 0.24 0.43 0.00 -1.93 0.00 0.00 178.83 177.54 1xr9 h ARG 145 N 0.37 0.85 -0.64 1.69 3.08 -0.96 0.10 114.38 118.88 1xr9 h ARG 145 Ca 0.27 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.26 1xr9 h ARG 145 Cb 0.31 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 30.14 1xr9 h ARG 145 CO -0.28 0.56 0.36 0.87 -1.07 0.00 0.00 179.97 180.42 1xr9 h LYS 146 N 0.88 0.88 -0.24 0.04 1.57 -0.69 -1.69 116.57 117.32 1xr9 h LYS 146 Ca 0.24 -0.10 -0.15 0.00 -1.87 0.00 0.00 60.65 58.78 1xr9 h LYS 146 Cb -0.09 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.03 1xr9 h LYS 146 CO -0.06 0.66 -0.45 -1.49 -0.57 0.00 0.00 179.45 177.54 1xr9 h TRP 147 N 0.87 0.73 -0.21 -1.35 4.06 -0.45 -1.04 115.95 118.56 1xr9 h TRP 147 Ca 0.23 -0.23 -0.00 0.00 2.06 0.00 0.00 58.89 60.94 1xr9 h TRP 147 Cb 0.02 -0.15 -0.01 0.00 -1.00 0.00 0.00 29.16 28.02 1xr9 h TRP 147 CO -0.01 0.95 0.12 0.93 -3.56 0.00 0.00 178.44 176.86 1xr9 h GLU 148 N 0.49 0.30 -0.19 0.49 5.08 -0.66 0.00 114.58 120.09 1xr9 h GLU 148 Ca 0.03 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 1xr9 h GLU 148 Cb 0.98 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.16 1xr9 h GLU 148 CO 0.09 0.28 0.01 0.00 -1.00 0.00 0.00 179.01 178.39 1xr9 h ALA 149 N 1.00 1.67 -0.31 3.43 0.00 -1.16 -2.27 119.26 121.62 1xr9 h ALA 149 Ca 0.07 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1xr9 h ALA 149 Cb 0.07 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1xr9 h ALA 149 CO -0.01 0.25 0.00 0.00 0.00 0.00 0.00 179.25 179.49 1xr9 n ALA 150 N -2.50 2.47 -4.02 0.00 0.00 -0.41 -4.94 120.51 111.11 1xr9 n ALA 150 Ca -0.00 -0.70 -0.28 0.00 0.00 0.00 0.00 53.44 52.45 1xr9 n ALA 150 Cb 0.17 -1.00 -0.02 0.00 0.00 0.00 0.00 19.45 18.60 1xr9 n ALA 150 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1xr9 n ARG 151 N 0.71 -3.43 -0.24 0.00 5.12 -0.81 -4.89 116.66 113.12 1xr9 n ARG 151 Ca 0.16 0.41 -0.08 0.00 -1.93 0.00 0.00 57.85 56.41 1xr9 n ARG 151 Cb 0.40 -4.74 0.04 0.00 -1.16 0.00 0.00 32.46 26.99 1xr9 n ARG 151 CO 0.00 0.00 0.00 0.93 -1.93 0.00 0.00 177.63 176.63 1xr9 h GLU 152 N -1.77 1.11 -0.63 5.56 4.39 -1.27 -3.05 114.58 118.92 1xr9 h GLU 152 Ca -0.62 -0.30 -0.05 0.00 0.34 0.00 0.00 59.36 58.73 1xr9 h GLU 152 Cb 1.38 -0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 29.87 1xr9 h GLU 152 CO 0.67 1.02 0.19 0.00 -1.16 0.00 0.00 179.01 179.72 1xr9 h ALA 153 N 1.05 1.14 -0.65 3.43 0.00 -1.90 -1.41 119.26 120.92 1xr9 h ALA 153 Ca 0.20 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1xr9 h ALA 153 Cb 0.45 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1xr9 h ALA 153 CO 0.01 0.59 0.37 0.93 0.00 0.00 0.00 179.25 181.16 1xr9 h GLU 154 N 0.93 0.90 -0.37 0.00 3.07 -1.78 0.12 114.58 117.44 1xr9 h GLU 154 Ca 0.21 -0.09 -0.02 0.00 -0.50 0.00 0.00 59.36 58.96 1xr9 h GLU 154 Cb 0.28 -0.18 -0.02 0.00 -0.84 0.00 0.00 28.75 27.99 1xr9 h GLU 154 CO -0.01 0.66 0.17 0.37 -1.40 0.00 0.00 179.01 178.80 1xr9 h GLN 155 N 0.88 0.54 -0.30 2.33 4.15 -1.37 -1.77 115.11 119.58 1xr9 h GLN 155 Ca 0.23 -0.09 -0.01 0.00 0.77 0.00 0.00 58.65 59.55 1xr9 h GLN 155 Cb 0.01 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 27.59 1xr9 h GLN 155 CO -0.04 0.50 0.14 -1.49 -1.93 0.00 0.00 178.83 176.01 1xr9 h TRP 156 N 0.46 0.43 -0.71 3.99 4.06 -0.83 -1.75 115.95 121.59 1xr9 h TRP 156 Ca 0.13 -0.02 0.04 0.00 2.06 0.00 0.00 58.89 61.09 1xr9 h TRP 156 Cb 0.15 -0.13 -0.05 0.00 -1.00 0.00 0.00 29.16 28.12 1xr9 h TRP 156 CO -0.01 0.40 0.44 -0.09 -3.56 0.00 0.00 178.44 175.62 1xr9 h ARG 157 N 0.34 0.81 -0.69 0.49 2.43 -0.66 0.29 114.38 117.40 1xr9 h ARG 157 Ca 0.10 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.19 1xr9 h ARG 157 Cb 0.13 -0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 29.47 1xr9 h ARG 157 CO -0.01 0.54 0.30 0.00 -1.51 0.00 0.00 179.97 179.29 1xr9 h ALA 158 N 1.32 0.89 -0.03 2.80 0.00 -1.09 -1.19 119.26 121.97 1xr9 h ALA 158 Ca 0.30 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1xr9 h ALA 158 Cb 0.07 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 1xr9 h ALA 158 CO -0.13 0.48 -0.00 -0.92 0.00 0.00 0.00 179.25 178.68 1xr9 h TYR 159 N 0.97 0.06 -0.37 0.00 3.20 -0.79 -2.24 116.97 117.80 1xr9 h TYR 159 Ca 0.23 -0.01 -0.06 0.00 3.14 0.00 0.00 58.73 62.03 1xr9 h TYR 159 Cb 0.16 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.40 1xr9 h TYR 159 CO 0.01 0.39 -0.04 -0.07 -1.64 0.00 0.00 178.16 176.81 1xr9 h LEU 160 N -0.29 0.57 0.00 2.82 3.38 -0.18 -0.80 115.31 120.81 1xr9 h LEU 160 Ca 0.01 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.85 1xr9 h LEU 160 Cb 0.37 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1xr9 h LEU 160 CO 0.00 0.66 -0.66 -0.33 0.09 0.00 0.00 178.44 178.20 1xr9 h GLU 161 N 0.56 0.00 0.00 1.13 5.08 -1.29 -3.34 114.58 116.72 1xr9 h GLU 161 Ca 0.11 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1xr9 h GLU 161 Cb 0.42 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.67 1xr9 h GLU 161 CO 0.02 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.44 1xr9 n GLY 162 N 1.29 0.50 0.31 -3.84 0.00 -0.84 -4.67 105.19 97.94 1xr9 n GLY 162 Ca 0.03 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.16 1xr9 n GLY 162 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1xr9 h LEU 163 N 0.00 0.41 0.13 0.99 3.38 -1.69 -0.98 115.31 117.54 1xr9 h LEU 163 Ca 0.00 0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1xr9 h LEU 163 Cb 0.00 0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1xr9 h LEU 163 CO 0.00 0.07 -0.10 0.00 0.09 0.00 0.00 178.44 178.50 1xr9 h VAL 165 N -0.24 1.28 -0.37 0.00 2.07 -1.56 -0.91 116.25 116.53 1xr9 h VAL 165 Ca -0.00 -1.49 -0.01 0.00 0.82 0.00 0.00 66.70 66.02 1xr9 h VAL 165 Cb 0.22 1.41 -0.02 0.00 -1.52 0.00 0.00 31.29 31.38 1xr9 h VAL 165 CO -0.01 0.49 0.20 -0.33 0.02 0.00 0.00 177.57 177.95 1xr9 h GLU 166 N 0.66 0.51 -0.06 1.57 5.08 -0.93 -1.09 114.58 120.32 1xr9 h GLU 166 Ca 0.06 -0.06 -0.19 0.00 -1.00 0.00 0.00 59.36 58.17 1xr9 h GLU 166 Cb 0.90 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 30.05 1xr9 h GLU 166 CO 0.08 0.42 -0.77 -1.49 -1.00 0.00 0.00 179.01 176.26 1xr9 h TRP 167 N 0.47 0.54 -0.46 4.33 4.06 -0.74 -1.84 115.95 122.32 1xr9 h TRP 167 Ca 0.13 -0.25 0.01 0.00 2.06 0.00 0.00 58.89 60.84 1xr9 h TRP 167 Cb 0.05 -0.08 -0.03 0.00 -1.00 0.00 0.00 29.16 28.11 1xr9 h TRP 167 CO -0.03 1.02 0.29 1.25 -3.56 0.00 0.00 178.44 177.41 1xr9 h LEU 168 N 0.26 0.48 -0.48 -4.49 5.85 -1.03 0.74 115.31 116.63 1xr9 h LEU 168 Ca -0.04 -0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.71 1xr9 h LEU 168 Cb 1.35 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 42.24 1xr9 h LEU 168 CO 0.13 0.35 0.26 0.03 -0.34 0.00 0.00 178.44 178.87 1xr9 h ARG 169 N 0.58 0.51 -0.41 1.25 3.08 -1.08 -0.55 114.38 117.76 1xr9 h ARG 169 Ca 0.17 -0.03 0.02 0.00 0.07 0.00 0.00 59.98 60.21 1xr9 h ARG 169 Cb -0.03 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 29.88 1xr9 h ARG 169 CO -0.06 0.34 0.25 -0.09 -1.07 0.00 0.00 179.97 179.33 1xr9 h ARG 170 N 0.52 0.49 -0.58 0.04 2.43 -0.78 -2.10 114.38 114.40 1xr9 h ARG 170 Ca 0.20 -0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.35 1xr9 h ARG 170 Cb 0.07 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.48 1xr9 h ARG 170 CO -0.12 0.32 0.38 1.88 -1.51 0.00 0.00 179.97 180.93 1xr9 h TYR 171 N 0.50 0.72 -0.42 2.20 0.05 -0.56 -0.08 116.97 119.38 1xr9 h TYR 171 Ca 0.16 0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.95 1xr9 h TYR 171 Cb -0.00 -0.24 -0.02 0.00 1.01 0.00 0.00 36.73 37.48 1xr9 h TYR 171 CO -0.07 0.45 0.20 -0.07 -1.05 0.00 0.00 178.16 177.62 1xr9 h LEU 172 N 0.77 0.51 -0.03 3.88 3.38 -0.85 0.26 115.31 123.24 1xr9 h LEU 172 Ca 0.22 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.11 1xr9 h LEU 172 Cb -0.07 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.55 1xr9 h LEU 172 CO -0.06 0.44 -0.11 -0.08 0.09 0.00 0.00 178.44 178.72 1xr9 h GLU 173 N 0.58 0.13 -0.19 1.13 4.57 -1.01 -2.45 114.58 117.34 1xr9 h GLU 173 Ca 0.15 -0.10 -0.08 0.00 -1.18 0.00 0.00 59.36 58.14 1xr9 h GLU 173 Cb 0.06 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.66 1xr9 h GLU 173 CO -0.02 0.74 -0.24 -0.91 -1.18 0.00 0.00 179.01 177.39 1xr9 h ASN 174 N -0.45 0.34 -0.64 1.04 2.35 -0.63 -2.70 115.58 114.89 1xr9 h ASN 174 Ca -0.01 -0.11 -0.26 0.00 -0.55 0.00 0.00 56.30 55.38 1xr9 h ASN 174 Cb 0.75 -0.09 -0.16 0.00 0.05 0.00 0.00 38.32 38.87 1xr9 h ASN 174 CO 0.02 0.60 0.25 0.61 -1.65 0.00 0.00 177.43 177.26 1xr9 n GLY 175 N -0.50 4.29 0.29 2.83 0.00 0.87 -4.80 105.19 108.17 1xr9 n GLY 175 Ca -0.01 -1.09 0.11 0.00 0.00 0.00 0.00 46.02 45.03 1xr9 n GLY 175 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1xr9 h LYS 176 N 1.64 0.01 0.00 1.61 2.10 -1.09 0.16 116.57 121.00 1xr9 h LYS 176 Ca 0.32 -0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.96 1xr9 h LYS 176 Cb 2.19 -0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 33.51 1xr9 h LYS 176 CO 0.68 0.00 -0.08 0.93 -2.00 0.00 0.00 179.45 178.99 1xr9 h GLU 177 N 0.01 0.00 0.00 0.07 5.08 -1.87 -2.73 114.58 115.14 1xr9 h GLU 177 Ca 0.06 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.31 1xr9 h GLU 177 Cb 0.24 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 1xr9 h GLU 177 CO -0.00 0.08 -1.28 0.25 -1.00 0.00 0.00 179.01 177.05 1xr9 n THR 178 N -3.39 0.55 0.24 1.13 -2.24 -0.42 -4.48 114.28 105.68 1xr9 n THR 178 Ca -0.01 -0.05 0.08 0.00 -2.27 0.00 0.00 64.05 61.80 1xr9 n THR 178 Cb 0.23 -1.63 0.61 0.00 -2.10 0.00 0.00 70.33 67.44 1xr9 n THR 178 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1xr9 h LEU 179 N -0.28 0.00 -3.43 3.22 3.38 -0.88 -2.15 115.31 115.16 1xr9 h LEU 179 Ca -0.17 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.76 1xr9 h LEU 179 Cb 1.05 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.78 1xr9 h LEU 179 CO -0.10 0.14 0.03 0.00 0.09 0.00 0.00 178.44 178.60 1xr9 n GLN 180 N -4.07 3.57 -4.05 1.13 6.02 -1.03 -4.87 117.38 114.07 1xr9 n GLN 180 Ca -0.02 -3.00 -0.34 0.00 -0.01 0.00 0.00 57.00 53.63 1xr9 n GLN 180 Cb 0.23 -2.03 -0.15 0.00 1.02 0.00 0.00 30.24 29.31 1xr9 n GLN 180 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 1xr9 s ARG 181 N -2.87 3.05 -0.18 -1.09 3.52 -0.81 -4.98 118.95 115.60 1xr9 s ARG 181 Ca 0.48 -0.81 -0.15 0.00 -0.13 0.00 0.00 55.73 55.12 1xr9 s ARG 181 Cb 0.38 -2.73 -0.04 0.00 -1.56 0.00 0.00 34.95 31.00 1xr9 s ARG 181 CO 0.11 -0.23 0.37 0.00 -0.81 0.00 0.00 175.30 174.74 1xr9 s ALA 182 N 1.33 3.55 -0.27 6.12 0.00 -1.26 -4.77 121.76 126.47 1xr9 s ALA 182 Ca 0.04 -0.46 -0.11 0.00 0.00 0.00 0.00 51.96 51.44 1xr9 s ALA 182 Cb -0.14 -2.55 -0.05 0.00 0.00 0.00 0.00 23.12 20.38 1xr9 s ALA 182 CO -0.10 -0.13 0.17 -0.51 0.00 0.00 0.00 175.76 175.20 1xr9 s ASP 183 N 0.80 5.94 0.67 0.00 1.01 0.66 -4.77 116.67 120.98 1xr9 s ASP 183 Ca 0.19 -0.02 -0.13 0.00 0.71 0.00 0.00 52.55 53.30 1xr9 s ASP 183 Cb -0.14 -2.10 0.00 0.00 1.01 0.00 0.00 42.92 41.69 1xr9 s ASP 183 CO 0.07 -0.03 1.08 -2.16 0.21 0.00 0.00 175.17 174.33 1xr9 s PRO 184 N 1.66 2.89 0.40 8.23 0.04 -1.26 -1.23 135.00 145.74 1xr9 s PRO 184 Ca 0.07 1.19 -0.26 0.00 0.04 0.00 0.00 61.00 62.05 1xr9 s PRO 184 Cb -0.16 -1.98 -0.08 0.00 0.04 0.00 0.00 34.50 32.32 1xr9 s PRO 184 CO 0.10 -1.15 1.21 -1.25 0.04 0.00 0.00 177.00 175.95 1xr9 s PRO 185 N -4.44 4.03 -0.17 0.56 0.04 -1.26 -4.25 135.00 129.51 1xr9 s PRO 185 Ca 0.63 1.95 -0.21 0.00 0.04 0.00 0.00 61.00 63.40 1xr9 s PRO 185 Cb -0.17 -2.71 -0.03 0.00 0.04 0.00 0.00 34.50 31.63 1xr9 s PRO 185 CO 0.46 -0.37 0.64 0.15 0.04 0.00 0.00 177.00 177.91 1xr9 s LYS 186 N -2.26 4.27 0.06 4.56 1.02 0.59 -4.84 119.74 123.13 1xr9 s LYS 186 Ca 0.57 0.67 0.09 0.00 0.02 0.00 0.00 55.97 57.33 1xr9 s LYS 186 Cb -0.33 -3.54 -0.03 0.00 -0.52 0.00 0.00 37.83 33.40 1xr9 s LYS 186 CO 0.42 -0.16 -0.25 0.95 -0.92 0.00 0.00 175.35 175.39 1xr9 s THR 187 N 1.62 2.24 0.12 2.17 -4.23 -1.26 -1.09 115.64 115.22 1xr9 s THR 187 Ca 0.31 -1.43 -0.24 0.00 -1.18 0.00 0.00 61.69 59.14 1xr9 s THR 187 Cb -0.16 -1.90 0.07 0.00 1.34 0.00 0.00 72.50 71.85 1xr9 s THR 187 CO 0.12 0.32 0.64 -1.38 -0.54 0.00 0.00 174.62 173.77 1xr9 s HIS 188 N -0.86 -0.54 -0.11 3.99 -3.43 -0.99 -4.99 115.29 108.36 1xr9 s HIS 188 Ca 0.12 0.41 0.02 0.00 -0.80 0.00 0.00 55.06 54.81 1xr9 s HIS 188 Cb -0.10 0.54 -0.01 0.00 -1.43 0.00 0.00 32.58 31.58 1xr9 s HIS 188 CO 0.03 -0.79 -0.17 0.08 -2.00 0.00 0.00 174.74 171.89 1xr9 s VAL 189 N -3.40 2.73 0.31 -5.38 1.01 -1.26 -0.47 120.40 113.94 1xr9 s VAL 189 Ca -0.00 -0.78 0.07 0.00 0.00 0.00 0.00 61.98 61.27 1xr9 s VAL 189 Cb -0.01 -2.11 -0.03 0.00 0.00 0.00 0.00 36.38 34.23 1xr9 s VAL 189 CO -0.10 0.54 0.25 0.42 0.00 0.00 0.00 175.10 176.21 1xr9 s THR 190 N 0.26 3.79 -0.04 3.92 -4.23 -0.15 -4.66 115.64 114.52 1xr9 s THR 190 Ca -0.12 -1.40 0.01 0.00 -1.18 0.00 0.00 61.69 58.99 1xr9 s THR 190 Cb -0.16 -3.23 0.02 0.00 1.34 0.00 0.00 72.50 70.47 1xr9 s THR 190 CO 0.06 -0.23 -0.02 -2.28 -0.54 0.00 0.00 174.62 171.61 1xr9 s HIS 191 N -2.26 0.60 -0.26 3.99 2.46 -1.26 -1.24 115.29 117.32 1xr9 s HIS 191 Ca 0.38 -0.14 -0.03 0.00 0.47 0.00 0.00 55.06 55.75 1xr9 s HIS 191 Cb -0.06 -0.60 0.09 0.00 -0.13 0.00 0.00 32.58 31.87 1xr9 s HIS 191 CO 0.26 -0.19 0.09 -1.01 -2.47 0.00 0.00 174.74 171.42 1xr9 s HIS 192 N 1.08 0.91 0.20 3.88 3.76 -0.03 -4.96 115.29 120.14 1xr9 s HIS 192 Ca -0.09 -1.08 -0.32 0.00 -0.15 0.00 0.00 55.06 53.42 1xr9 s HIS 192 Cb -0.14 -1.16 -0.15 0.00 1.11 0.00 0.00 32.58 32.24 1xr9 s HIS 192 CO -0.01 -0.76 1.30 -2.30 -0.85 0.00 0.00 174.74 172.12 1xr9 n PRO 193 N 5.08 1.61 -0.12 8.40 -0.02 -1.26 -0.02 135.00 148.67 1xr9 n PRO 193 Ca -0.06 0.58 -0.15 0.00 -2.02 0.00 0.00 63.50 61.85 1xr9 n PRO 193 Cb 0.44 -2.16 -0.13 0.00 -0.02 0.00 0.00 33.50 31.62 1xr9 n PRO 193 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 1xr9 n ILE 194 N 1.80 1.46 -3.81 4.25 5.41 -0.17 -4.84 119.36 123.46 1xr9 n ILE 194 Ca 0.14 -0.67 -0.09 0.00 1.00 0.00 0.00 62.75 63.13 1xr9 n ILE 194 Cb 0.28 -1.11 0.03 0.00 -0.71 0.00 0.00 39.64 38.12 1xr9 n ILE 194 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 1xr9 s SER 195 N -6.19 0.07 0.31 4.38 1.04 -1.06 -4.99 113.70 107.25 1xr9 s SER 195 Ca -0.27 -1.21 0.24 0.00 0.48 0.00 0.00 55.95 55.19 1xr9 s SER 195 Cb 0.08 0.86 1.12 0.00 0.10 0.00 0.00 66.02 68.18 1xr9 s SER 195 CO 0.68 -1.71 1.72 0.44 0.98 0.00 0.00 173.24 175.35 1xr9 h ASP 196 N 2.00 0.00 0.00 7.02 3.32 -2.04 -3.25 116.42 123.47 1xr9 h ASP 196 Ca -0.33 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.72 1xr9 h ASP 196 Cb 1.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.80 1xr9 h ASP 196 CO 0.42 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.94 1xr9 n HIS 197 N -2.31 0.00 -3.96 4.55 1.44 -1.26 -4.83 115.22 108.85 1xr9 n HIS 197 Ca 0.00 -0.12 -0.08 0.00 -2.01 0.00 0.00 57.72 55.51 1xr9 n HIS 197 Cb 0.15 -0.01 -0.09 0.00 0.12 0.00 0.00 29.99 30.16 1xr9 n HIS 197 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 1xr9 s GLU 198 N -0.24 0.65 0.03 -1.40 2.02 -1.23 -0.93 118.70 117.60 1xr9 s GLU 198 Ca 0.00 -0.95 -0.12 0.00 0.02 0.00 0.00 54.97 53.92 1xr9 s GLU 198 Cb 0.00 0.25 0.01 0.00 0.10 0.00 0.00 34.13 34.49 1xr9 s GLU 198 CO 0.00 -0.16 0.26 0.00 0.02 0.00 0.00 175.26 175.38 1xr9 s ALA 199 N -3.32 -0.58 -0.08 5.21 0.00 -0.03 -1.00 121.76 121.96 1xr9 s ALA 199 Ca 0.01 -0.03 -0.18 0.00 0.00 0.00 0.00 51.96 51.76 1xr9 s ALA 199 Cb 0.03 0.25 -0.05 0.00 0.00 0.00 0.00 23.12 23.35 1xr9 s ALA 199 CO -0.08 -0.35 0.49 0.99 0.00 0.00 0.00 175.76 176.81 1xr9 s THR 200 N -2.24 5.11 -0.20 0.00 2.01 0.97 -0.81 115.64 120.48 1xr9 s THR 200 Ca -0.07 1.00 -0.07 0.00 0.31 0.00 0.00 61.69 62.86 1xr9 s THR 200 Cb -0.02 -3.83 -0.04 0.00 0.01 0.00 0.00 72.50 68.62 1xr9 s THR 200 CO -0.02 0.38 0.06 -0.76 -0.69 0.00 0.00 174.62 173.59 1xr9 s LEU 201 N 0.21 3.64 -0.16 4.42 1.43 -0.04 -0.85 118.68 127.33 1xr9 s LEU 201 Ca 0.27 -0.04 0.02 0.00 -1.03 0.00 0.00 54.13 53.35 1xr9 s LEU 201 Cb -0.16 -1.94 0.01 0.00 0.03 0.00 0.00 46.19 44.14 1xr9 s LEU 201 CO 0.12 0.10 -0.20 -0.60 0.23 0.00 0.00 176.35 176.00 1xr9 s ARG 202 N 0.82 3.03 -0.24 1.70 3.52 -0.37 -1.59 118.95 125.81 1xr9 s ARG 202 Ca 0.03 -0.83 -0.10 0.00 -0.13 0.00 0.00 55.73 54.71 1xr9 s ARG 202 Cb -0.14 -2.52 -0.04 0.00 -1.56 0.00 0.00 34.95 30.69 1xr9 s ARG 202 CO 0.02 -0.09 0.13 0.00 -0.81 0.00 0.00 175.30 174.56 1xr9 s TRP 204 N 1.20 3.26 -0.13 0.00 0.52 0.38 -1.44 118.94 122.73 1xr9 s TRP 204 Ca 0.06 0.25 0.01 0.00 0.02 0.00 0.00 56.10 56.44 1xr9 s TRP 204 Cb -0.14 -1.84 0.02 0.00 -1.15 0.00 0.00 33.47 30.35 1xr9 s TRP 204 CO 0.05 0.49 -0.15 0.00 0.02 0.00 0.00 176.95 177.36 1xr9 s ALA 205 N -0.80 1.81 0.06 0.98 0.00 -0.13 -2.33 121.76 121.35 1xr9 s ALA 205 Ca 0.13 -0.84 0.05 0.00 0.00 0.00 0.00 51.96 51.29 1xr9 s ALA 205 Cb -0.12 -0.95 -0.03 0.00 0.00 0.00 0.00 23.12 22.02 1xr9 s ALA 205 CO 0.03 -0.22 -0.13 -0.51 0.00 0.00 0.00 175.76 174.92 1xr9 s LEU 206 N 1.22 2.26 -0.68 0.00 1.43 -0.25 -1.43 118.68 121.23 1xr9 s LEU 206 Ca -0.01 -0.58 0.00 0.00 -1.03 0.00 0.00 54.13 52.51 1xr9 s LEU 206 Cb -0.14 -0.49 0.00 0.00 0.03 0.00 0.00 46.19 45.59 1xr9 s LEU 206 CO -0.06 -0.07 0.00 0.61 0.23 0.00 0.00 176.35 177.06 1xr9 n GLY 207 N 1.40 0.84 3.92 -3.19 0.00 -0.84 -0.30 105.19 107.01 1xr9 n GLY 207 Ca -0.21 -0.75 -0.28 0.00 0.00 0.00 0.00 46.02 44.78 1xr9 n GLY 207 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1xr9 s PHE 208 N -2.25 3.48 -0.19 1.61 -0.71 -1.11 -4.67 117.98 114.14 1xr9 s PHE 208 Ca 0.00 0.45 -0.14 0.00 -1.04 0.00 0.00 56.93 56.20 1xr9 s PHE 208 Cb 0.00 -1.94 0.06 0.00 -1.21 0.00 0.00 43.02 39.93 1xr9 s PHE 208 CO 0.00 0.32 0.49 -0.47 -1.34 0.00 0.00 175.22 174.23 1xr9 s TYR 209 N -1.91 -0.64 0.73 3.49 6.14 -0.36 -0.96 117.35 123.83 1xr9 s TYR 209 Ca 0.40 1.43 -0.12 0.00 0.64 0.00 0.00 57.07 59.42 1xr9 s TYR 209 Cb -0.11 0.28 0.17 0.00 0.42 0.00 0.00 41.96 42.72 1xr9 s TYR 209 CO 0.29 -0.33 0.87 -0.35 0.64 0.00 0.00 175.55 176.67 1xr9 n PRO 210 N 3.56 -1.39 0.19 4.97 -0.04 -1.26 -0.25 135.00 140.78 1xr9 n PRO 210 Ca -0.18 -1.36 0.03 0.00 -0.04 0.00 0.00 63.50 61.95 1xr9 n PRO 210 Cb 0.56 -1.01 0.37 0.00 -0.04 0.00 0.00 33.50 33.39 1xr9 n PRO 210 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1xr9 h ALA 211 N -2.06 1.37 -2.55 0.55 0.00 -1.94 -3.45 119.26 111.18 1xr9 h ALA 211 Ca -0.29 -0.33 -0.52 0.00 0.00 0.00 0.00 54.91 53.76 1xr9 h ALA 211 Cb 0.84 -0.06 0.05 0.00 0.00 0.00 0.00 17.79 18.61 1xr9 h ALA 211 CO 0.20 0.45 1.09 -2.00 0.00 0.00 0.00 179.25 179.00 1xr9 s GLU 212 N -4.17 4.13 0.01 0.00 2.56 -1.26 -4.96 118.70 115.01 1xr9 s GLU 212 Ca -0.03 2.61 -0.23 0.00 0.00 0.00 0.00 54.97 57.32 1xr9 s GLU 212 Cb 0.14 -3.45 0.05 0.00 2.00 0.00 0.00 34.13 32.87 1xr9 s GLU 212 CO 0.72 -0.82 0.52 -1.50 -0.56 0.00 0.00 175.26 173.62 1xr9 s ILE 213 N 2.32 0.03 -0.07 -3.70 2.07 -1.26 -4.64 121.20 115.94 1xr9 s ILE 213 Ca 0.80 -0.22 0.05 0.00 -1.41 0.00 0.00 60.65 59.86 1xr9 s ILE 213 Cb -0.47 -0.91 -0.01 0.00 0.13 0.00 0.00 42.46 41.20 1xr9 s ILE 213 CO 0.35 -0.12 -0.23 0.42 -1.91 0.00 0.00 174.94 173.45 1xr9 s THR 214 N -1.86 1.95 -0.09 4.00 -4.23 -0.59 -4.99 115.64 109.82 1xr9 s THR 214 Ca -0.09 -0.99 -0.00 0.00 -1.18 0.00 0.00 61.69 59.43 1xr9 s THR 214 Cb -0.01 -1.66 0.02 0.00 1.34 0.00 0.00 72.50 72.19 1xr9 s THR 214 CO 0.03 0.54 -0.05 -0.76 -0.54 0.00 0.00 174.62 173.84 1xr9 s LEU 215 N 0.04 1.04 0.04 4.79 1.43 -1.26 -1.35 118.68 123.40 1xr9 s LEU 215 Ca -0.08 -0.23 -0.00 0.00 -1.03 0.00 0.00 54.13 52.79 1xr9 s LEU 215 Cb -0.15 -0.70 -0.03 0.00 0.03 0.00 0.00 46.19 45.34 1xr9 s LEU 215 CO 0.05 -0.13 -0.04 0.42 0.23 0.00 0.00 176.35 176.88 1xr9 s THR 216 N 1.69 0.25 -0.06 5.49 -4.23 -0.69 -4.94 115.64 113.14 1xr9 s THR 216 Ca 0.03 -1.40 0.02 0.00 -1.18 0.00 0.00 61.69 59.16 1xr9 s THR 216 Cb -0.13 -0.95 -0.03 0.00 1.34 0.00 0.00 72.50 72.73 1xr9 s THR 216 CO -0.06 -0.74 -0.10 0.26 -0.54 0.00 0.00 174.62 173.44 1xr9 s TRP 217 N -2.69 2.83 0.12 3.99 0.52 -1.26 -0.34 118.94 122.10 1xr9 s TRP 217 Ca -0.03 -0.10 0.11 0.00 0.02 0.00 0.00 56.10 56.09 1xr9 s TRP 217 Cb -0.01 -1.69 -0.04 0.00 -1.15 0.00 0.00 33.47 30.59 1xr9 s TRP 217 CO -0.05 0.23 -0.25 -0.65 0.02 0.00 0.00 176.95 176.25 1xr9 s GLN 218 N -0.69 1.49 -0.19 4.98 -0.21 0.18 -0.92 119.66 124.30 1xr9 s GLN 218 Ca 0.10 -1.31 0.00 0.00 0.02 0.00 0.00 55.36 54.18 1xr9 s GLN 218 Cb -0.11 -1.94 0.04 0.00 1.00 0.00 0.00 33.01 32.00 1xr9 s GLN 218 CO 0.01 0.46 -0.09 0.50 -2.12 0.00 0.00 175.29 174.06 1xr9 s ARG 219 N -2.04 1.84 -1.43 2.91 3.52 -0.27 -1.22 118.95 122.25 1xr9 s ARG 219 Ca 0.15 -0.76 -0.09 0.00 -0.13 0.00 0.00 55.73 54.89 1xr9 s ARG 219 Cb -0.10 -2.32 0.03 0.00 -1.56 0.00 0.00 34.95 31.00 1xr9 s ARG 219 CO 0.07 -0.44 1.02 -0.25 -0.81 0.00 0.00 175.30 174.89 1xr9 n ASP 220 N 4.74 -5.91 0.00 -2.12 8.00 -0.30 -2.17 116.55 118.78 1xr9 n ASP 220 Ca -0.14 -0.55 0.00 0.00 0.71 0.00 0.00 54.79 54.81 1xr9 n ASP 220 Cb 0.47 -4.68 0.00 0.00 -0.02 0.00 0.00 41.12 36.88 1xr9 n ASP 220 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1xr9 n GLY 221 N -1.83 1.11 3.70 0.44 0.00 -1.26 -5.01 105.19 102.33 1xr9 n GLY 221 Ca -0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1xr9 n GLY 221 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xr9 s GLU 222 N -0.12 4.23 0.40 1.61 0.41 -0.92 -5.00 118.70 119.31 1xr9 s GLU 222 Ca 0.00 0.23 -0.27 0.00 -0.41 0.00 0.00 54.97 54.52 1xr9 s GLU 222 Cb 0.00 -3.48 -0.10 0.00 -1.78 0.00 0.00 34.13 28.76 1xr9 s GLU 222 CO 0.00 0.08 1.43 -0.25 -0.49 0.00 0.00 175.26 176.03 1xr9 n ASP 223 N 4.06 3.43 -2.38 -0.19 8.00 -1.26 -1.12 116.55 127.08 1xr9 n ASP 223 Ca -0.09 1.18 -0.32 0.00 0.71 0.00 0.00 54.79 56.27 1xr9 n ASP 223 Cb 0.51 -1.59 0.04 0.00 -0.02 0.00 0.00 41.12 40.07 1xr9 n ASP 223 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xr9 n GLN 224 N 0.21 3.08 0.03 -1.24 1.13 -0.10 -4.85 117.38 115.64 1xr9 n GLN 224 Ca 0.03 -3.78 -0.11 0.00 -1.94 0.00 0.00 57.00 51.21 1xr9 n GLN 224 Cb 0.39 -2.28 -0.04 0.00 0.11 0.00 0.00 30.24 28.43 1xr9 n GLN 224 CO 0.00 0.00 0.00 1.15 -1.44 0.00 0.00 177.06 176.77 1xr9 h THR 225 N 1.78 0.37 0.00 5.09 2.02 -1.91 -1.25 112.91 119.00 1xr9 h THR 225 Ca 0.49 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.65 1xr9 h THR 225 Cb 0.87 0.37 -0.00 0.00 -1.74 0.00 0.00 68.15 67.65 1xr9 h THR 225 CO 1.21 0.00 -0.08 1.56 0.37 0.00 0.00 175.52 178.58 1xr9 h GLN 226 N -0.39 0.00 -0.37 6.66 1.08 -2.00 -2.83 115.11 117.25 1xr9 h GLN 226 Ca 0.08 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.28 1xr9 h GLN 226 Cb 0.50 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.93 1xr9 h GLN 226 CO -0.28 0.08 0.00 -0.25 -0.95 0.00 0.00 178.83 177.43 1xr9 n ASP 227 N -3.38 3.08 -4.73 1.46 8.00 -0.72 -4.94 116.55 115.32 1xr9 n ASP 227 Ca -0.01 -1.91 -0.36 0.00 0.71 0.00 0.00 54.79 53.22 1xr9 n ASP 227 Cb 0.25 -0.25 -0.08 0.00 -0.02 0.00 0.00 41.12 41.03 1xr9 n ASP 227 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1xr9 s THR 228 N -1.10 5.36 -0.33 -3.53 2.01 -0.55 -4.54 115.64 112.97 1xr9 s THR 228 Ca 0.30 0.35 -0.22 0.00 0.31 0.00 0.00 61.69 62.43 1xr9 s THR 228 Cb 0.17 -3.54 -0.00 0.00 0.01 0.00 0.00 72.50 69.13 1xr9 s THR 228 CO 0.22 0.42 0.70 -0.70 -0.69 0.00 0.00 174.62 174.57 1xr9 s GLU 229 N 0.39 3.85 -0.23 4.92 2.12 0.30 -4.92 118.70 125.13 1xr9 s GLU 229 Ca 0.12 0.32 0.01 0.00 0.36 0.00 0.00 54.97 55.78 1xr9 s GLU 229 Cb -0.12 -3.76 0.04 0.00 0.26 0.00 0.00 34.13 30.55 1xr9 s GLU 229 CO 0.01 -0.68 -0.12 -1.17 -0.54 0.00 0.00 175.26 172.76 1xr9 s LEU 230 N 2.80 3.01 0.54 2.70 2.96 -1.26 0.01 118.68 129.43 1xr9 s LEU 230 Ca 0.28 -1.04 -0.12 0.00 -0.22 0.00 0.00 54.13 53.03 1xr9 s LEU 230 Cb -0.14 -1.56 -0.05 0.00 0.50 0.00 0.00 46.19 44.93 1xr9 s LEU 230 CO 0.13 -0.12 0.95 0.68 -1.32 0.00 0.00 176.35 176.67 1xr9 s VAL 231 N 1.22 4.69 0.33 1.68 -7.23 -0.93 -5.00 120.40 115.15 1xr9 s VAL 231 Ca -0.02 0.85 -0.29 0.00 -1.81 0.00 0.00 61.98 60.71 1xr9 s VAL 231 Cb -0.17 -3.81 -0.10 0.00 0.56 0.00 0.00 36.38 32.86 1xr9 s VAL 231 CO -0.07 -0.89 1.37 -0.70 -0.31 0.00 0.00 175.10 174.50 1xr9 s GLU 232 N -4.62 4.29 0.13 4.82 2.12 -1.26 -4.62 118.70 119.57 1xr9 s GLU 232 Ca 0.55 2.31 -0.35 0.00 0.36 0.00 0.00 54.97 57.83 1xr9 s GLU 232 Cb -0.10 -3.05 -0.15 0.00 0.26 0.00 0.00 34.13 31.08 1xr9 s GLU 232 CO 0.43 -0.30 1.49 2.41 -0.54 0.00 0.00 175.26 178.75 1xr9 n THR 233 N 0.96 0.01 -4.24 -1.70 -1.04 -1.26 -4.83 114.28 102.17 1xr9 n THR 233 Ca 0.01 -0.00 -0.18 0.00 -2.04 0.00 0.00 64.05 61.84 1xr9 n THR 233 Cb 0.41 -1.26 -0.13 0.00 -1.82 0.00 0.00 70.33 67.53 1xr9 n THR 233 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1xr9 s ARG 234 N 0.74 0.80 0.14 -2.82 1.70 -0.35 -4.96 118.95 114.20 1xr9 s ARG 234 Ca 0.81 -0.77 -0.30 0.00 -0.47 0.00 0.00 55.73 55.00 1xr9 s ARG 234 Cb -0.78 -0.76 -0.06 0.00 -0.57 0.00 0.00 34.95 32.77 1xr9 s ARG 234 CO 0.41 0.18 0.98 -1.25 -1.08 0.00 0.00 175.30 174.55 1xr9 s PRO 235 N -1.29 4.70 0.19 3.89 0.04 -1.26 -0.60 135.00 140.66 1xr9 s PRO 235 Ca -0.01 1.50 0.09 0.00 0.04 0.00 0.00 61.00 62.62 1xr9 s PRO 235 Cb -0.08 -3.35 0.00 0.00 0.04 0.00 0.00 34.50 31.11 1xr9 s PRO 235 CO 0.01 0.22 1.40 0.00 0.04 0.00 0.00 177.00 178.68 1xr9 h ALA 236 N 5.35 0.57 0.00 8.56 0.00 -1.48 -3.47 119.26 128.80 1xr9 h ALA 236 Ca -0.43 -0.75 0.00 0.00 0.00 0.00 0.00 54.91 53.73 1xr9 h ALA 236 Cb 1.21 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1xr9 h ALA 236 CO 0.72 1.03 0.00 0.41 0.00 0.00 0.00 179.25 181.41 1xr9 n GLY 237 N 1.00 0.64 0.88 0.00 0.00 -1.26 -4.96 105.19 101.49 1xr9 n GLY 237 Ca -0.00 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.03 1xr9 n GLY 237 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1xr9 n ASP 238 N 0.00 2.52 0.00 1.61 5.68 -1.26 -4.93 116.55 120.17 1xr9 n ASP 238 Ca 0.00 -3.61 0.00 0.00 -0.50 0.00 0.00 54.79 50.68 1xr9 n ASP 238 Cb 0.00 -0.58 0.00 0.00 -1.14 0.00 0.00 41.12 39.40 1xr9 n ASP 238 CO 0.00 0.00 0.00 -2.11 -1.33 0.00 0.00 177.20 173.76 1xr9 n ARG 239 N -1.07 0.00 -2.46 0.11 1.85 -1.26 -5.03 116.66 108.80 1xr9 n ARG 239 Ca 0.27 0.00 -0.24 0.00 -1.00 0.00 0.00 57.85 56.87 1xr9 n ARG 239 Cb 0.90 -0.41 0.11 0.00 -1.05 0.00 0.00 32.46 32.01 1xr9 n ARG 239 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 1xr9 s THR 240 N -1.71 2.19 0.20 8.89 -4.23 -1.26 -4.87 115.64 114.85 1xr9 s THR 240 Ca 0.00 -0.49 0.04 0.00 -1.18 0.00 0.00 61.69 60.06 1xr9 s THR 240 Cb 0.00 -2.70 -0.05 0.00 1.34 0.00 0.00 72.50 71.09 1xr9 s THR 240 CO 0.00 0.00 -0.03 -0.36 -0.54 0.00 0.00 174.62 173.69 1xr9 s PHE 241 N -3.21 1.44 0.06 3.99 0.08 -0.14 -1.22 117.98 118.98 1xr9 s PHE 241 Ca 0.66 -0.89 0.03 0.00 0.12 0.00 0.00 56.93 56.84 1xr9 s PHE 241 Cb -0.06 -0.81 -0.03 0.00 -0.57 0.00 0.00 43.02 41.55 1xr9 s PHE 241 CO 0.45 -0.03 -0.09 -0.65 -0.10 0.00 0.00 175.22 174.80 1xr9 s GLN 242 N -3.84 0.67 -0.01 0.44 -0.21 0.23 -1.99 119.66 114.95 1xr9 s GLN 242 Ca 0.25 -0.92 -0.29 0.00 0.02 0.00 0.00 55.36 54.42 1xr9 s GLN 242 Cb 0.05 -0.41 0.08 0.00 1.00 0.00 0.00 33.01 33.72 1xr9 s GLN 242 CO 0.06 0.07 0.71 0.21 -2.12 0.00 0.00 175.29 174.22 1xr9 s LYS 243 N -2.07 1.04 0.06 2.91 2.20 -0.52 -1.21 119.74 122.16 1xr9 s LYS 243 Ca -0.04 0.02 -0.00 0.00 -0.36 0.00 0.00 55.97 55.59 1xr9 s LYS 243 Cb -0.07 0.49 -0.04 0.00 -1.51 0.00 0.00 37.83 36.70 1xr9 s LYS 243 CO 0.00 -0.37 -0.04 1.67 -0.36 0.00 0.00 175.35 176.25 1xr9 s TRP 244 N -1.98 0.56 -0.04 4.03 1.48 -1.26 -0.95 118.94 120.78 1xr9 s TRP 244 Ca -0.06 -0.99 0.02 0.00 -1.06 0.00 0.00 56.10 54.01 1xr9 s TRP 244 Cb -0.00 -0.40 0.01 0.00 -1.16 0.00 0.00 33.47 31.92 1xr9 s TRP 244 CO 0.02 -0.32 -0.08 0.00 -4.06 0.00 0.00 176.95 172.50 1xr9 s ALA 245 N -3.64 0.89 0.10 2.67 0.00 -0.52 -2.20 121.76 119.08 1xr9 s ALA 245 Ca 0.06 -0.24 0.08 0.00 0.00 0.00 0.00 51.96 51.85 1xr9 s ALA 245 Cb 0.06 -0.42 -0.03 0.00 0.00 0.00 0.00 23.12 22.72 1xr9 s ALA 245 CO -0.08 0.08 -0.20 0.00 0.00 0.00 0.00 175.76 175.56 1xr9 s ALA 246 N 0.59 1.74 -0.01 0.00 0.00 0.10 -0.11 121.76 124.07 1xr9 s ALA 246 Ca -0.10 -1.23 -0.03 0.00 0.00 0.00 0.00 51.96 50.61 1xr9 s ALA 246 Cb -0.13 -0.22 -0.00 0.00 0.00 0.00 0.00 23.12 22.77 1xr9 s ALA 246 CO 0.01 0.33 0.05 0.54 0.00 0.00 0.00 175.76 176.70 1xr9 s VAL 247 N -1.23 0.05 -0.23 0.00 0.11 -0.62 -0.54 120.40 117.93 1xr9 s VAL 247 Ca 0.06 -0.39 -0.11 0.00 -2.93 0.00 0.00 61.98 58.61 1xr9 s VAL 247 Cb -0.10 -0.21 -0.05 0.00 -1.53 0.00 0.00 36.38 34.49 1xr9 s VAL 247 CO 0.04 -0.21 0.18 -0.69 -3.33 0.00 0.00 175.10 171.09 1xr9 s VAL 248 N -0.66 5.35 0.07 2.04 1.01 -1.26 -0.87 120.40 126.09 1xr9 s VAL 248 Ca -0.07 0.22 0.07 0.00 0.00 0.00 0.00 61.98 62.20 1xr9 s VAL 248 Cb -0.05 -3.52 -0.03 0.00 0.00 0.00 0.00 36.38 32.79 1xr9 s VAL 248 CO 0.00 0.34 -0.19 0.68 0.00 0.00 0.00 175.10 175.93 1xr9 s VAL 249 N 1.04 1.55 0.24 2.92 -7.23 0.01 -4.95 120.40 113.98 1xr9 s VAL 249 Ca 0.08 -1.33 -0.31 0.00 -1.81 0.00 0.00 61.98 58.62 1xr9 s VAL 249 Cb -0.13 -1.39 -0.11 0.00 0.56 0.00 0.00 36.38 35.31 1xr9 s VAL 249 CO 0.04 0.02 1.56 -2.84 -0.31 0.00 0.00 175.10 173.57 1xr9 s PRO 250 N -1.54 4.19 0.26 4.82 0.02 -1.26 -0.85 135.00 140.64 1xr9 s PRO 250 Ca 0.05 2.45 -0.30 0.00 0.02 0.00 0.00 61.00 63.21 1xr9 s PRO 250 Cb -0.09 -3.09 -0.13 0.00 0.02 0.00 0.00 34.50 31.21 1xr9 s PRO 250 CO 0.03 -0.57 1.35 0.43 -0.33 0.00 0.00 177.00 177.91 1xr9 n SER 251 N 2.85 2.65 0.00 2.53 7.64 -0.11 -1.37 113.62 127.80 1xr9 n SER 251 Ca 0.10 1.16 0.00 0.00 1.01 0.00 0.00 58.87 61.14 1xr9 n SER 251 Cb 0.38 -1.43 0.00 0.00 -1.01 0.00 0.00 64.21 62.15 1xr9 n SER 251 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1xr9 n GLY 252 N 1.79 1.38 0.88 0.23 0.00 -1.26 -4.88 105.19 103.34 1xr9 n GLY 252 Ca 0.10 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.20 1xr9 n GLY 252 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1xr9 n GLU 253 N -2.00 2.87 -0.02 1.61 1.02 -0.47 -4.73 120.64 118.91 1xr9 n GLU 253 Ca 0.00 -2.28 0.11 0.00 -0.02 0.00 0.00 57.16 54.97 1xr9 n GLU 253 Cb 0.00 -1.39 0.52 0.00 -0.02 0.00 0.00 31.44 30.55 1xr9 n GLU 253 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1xr9 h GLU 254 N 2.74 0.34 0.00 3.49 3.07 -1.90 -1.50 114.58 120.82 1xr9 h GLU 254 Ca 0.00 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.84 1xr9 h GLU 254 Cb 0.85 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 28.68 1xr9 h GLU 254 CO 0.01 0.23 0.00 1.04 -1.40 0.00 0.00 179.01 178.89 1xr9 n GLN 255 N -4.47 0.16 0.00 2.33 1.13 -1.26 -2.24 117.38 113.03 1xr9 n GLN 255 Ca 0.07 0.08 0.14 0.00 -1.94 0.00 0.00 57.00 55.36 1xr9 n GLN 255 Cb 0.31 -1.50 0.68 0.00 0.11 0.00 0.00 30.24 29.84 1xr9 n GLN 255 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1xr9 n ARG 256 N -1.40 0.27 -4.45 -1.09 1.74 -0.56 -4.81 116.66 106.36 1xr9 n ARG 256 Ca 0.08 -0.01 -0.34 0.00 -0.77 0.00 0.00 57.85 56.81 1xr9 n ARG 256 Cb 0.23 -1.50 -0.12 0.00 -1.02 0.00 0.00 32.46 30.05 1xr9 n ARG 256 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 1xr9 s TYR 257 N -2.74 3.01 -0.02 -1.55 1.51 -0.95 -1.16 117.35 115.46 1xr9 s TYR 257 Ca 0.23 -0.21 0.05 0.00 -1.01 0.00 0.00 57.07 56.12 1xr9 s TYR 257 Cb 0.20 -1.90 -0.01 0.00 -0.11 0.00 0.00 41.96 40.14 1xr9 s TYR 257 CO 0.49 0.07 -0.17 0.95 -1.11 0.00 0.00 175.55 175.78 1xr9 s THR 258 N 0.05 1.35 -0.08 -0.71 -4.23 -0.36 -4.68 115.64 106.98 1xr9 s THR 258 Ca -0.00 -0.72 -0.14 0.00 -1.18 0.00 0.00 61.69 59.65 1xr9 s THR 258 Cb -0.13 -1.13 -0.05 0.00 1.34 0.00 0.00 72.50 72.52 1xr9 s THR 258 CO 0.03 0.38 0.35 0.00 -0.54 0.00 0.00 174.62 174.84 1xr9 s HIS 260 N -0.33 2.27 -0.11 0.00 3.76 0.54 -0.73 115.29 120.69 1xr9 s HIS 260 Ca 0.21 -0.92 0.02 0.00 -0.15 0.00 0.00 55.06 54.22 1xr9 s HIS 260 Cb -0.15 -1.54 0.01 0.00 1.11 0.00 0.00 32.58 32.01 1xr9 s HIS 260 CO 0.09 -0.39 -0.18 0.08 -0.85 0.00 0.00 174.74 173.49 1xr9 s VAL 261 N 0.44 1.65 -0.07 -0.90 1.01 0.46 -1.70 120.40 121.29 1xr9 s VAL 261 Ca -0.17 -0.75 0.05 0.00 0.00 0.00 0.00 61.98 61.11 1xr9 s VAL 261 Cb -0.17 -1.47 -0.01 0.00 0.00 0.00 0.00 36.38 34.73 1xr9 s VAL 261 CO 0.07 0.47 -0.23 -1.10 0.00 0.00 0.00 175.10 174.31 1xr9 s GLN 262 N 0.78 2.56 -0.13 2.72 -0.21 -0.46 -0.43 119.66 124.48 1xr9 s GLN 262 Ca -0.10 -0.84 -0.21 0.00 0.02 0.00 0.00 55.36 54.23 1xr9 s GLN 262 Cb -0.16 -2.09 0.05 0.00 1.00 0.00 0.00 33.01 31.82 1xr9 s GLN 262 CO 0.01 0.29 0.53 -1.58 -2.12 0.00 0.00 175.29 172.42 1xr9 s HIS 263 N 0.05 -0.53 0.59 0.91 2.46 -1.26 -1.54 115.29 115.96 1xr9 s HIS 263 Ca -0.09 1.16 0.32 0.00 0.47 0.00 0.00 55.06 56.92 1xr9 s HIS 263 Cb -0.15 0.23 1.91 0.00 -0.13 0.00 0.00 32.58 34.44 1xr9 s HIS 263 CO 0.05 -0.38 2.26 1.05 -2.47 0.00 0.00 174.74 175.25 1xr9 h GLU 264 N 4.46 0.00 0.00 2.88 4.11 -1.94 0.10 114.58 124.19 1xr9 h GLU 264 Ca -0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.15 1xr9 h GLU 264 Cb 1.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.42 1xr9 h GLU 264 CO 0.26 0.01 0.00 0.41 0.07 0.00 0.00 179.01 179.76 1xr9 n GLY 265 N -1.22 -0.82 3.49 1.06 0.00 -1.26 -4.72 105.19 101.72 1xr9 n GLY 265 Ca -0.03 -0.11 -0.34 0.00 0.00 0.00 0.00 46.02 45.54 1xr9 n GLY 265 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xr9 s LEU 266 N -2.30 3.28 0.20 0.99 1.43 0.36 -4.43 118.68 118.21 1xr9 s LEU 266 Ca 0.25 -0.15 -0.10 0.00 -1.03 0.00 0.00 54.13 53.11 1xr9 s LEU 266 Cb 0.14 -1.81 0.26 0.00 0.03 0.00 0.00 46.19 44.81 1xr9 s LEU 266 CO 0.28 0.13 1.74 -0.65 0.23 0.00 0.00 176.35 178.08 1xr9 h PRO 267 N 7.00 0.38 -3.98 1.29 0.11 -1.84 -3.44 132.00 131.52 1xr9 h PRO 267 Ca -0.33 -0.02 -0.16 0.00 0.11 0.00 0.00 66.00 65.59 1xr9 h PRO 267 Cb 1.18 -0.08 -0.20 0.00 0.11 0.00 0.00 31.00 32.01 1xr9 h PRO 267 CO 0.63 0.25 -0.68 0.15 -0.21 0.00 0.00 178.00 178.13 1xr9 s LYS 268 N -6.10 0.36 0.54 1.05 1.02 -1.26 -5.14 119.74 110.20 1xr9 s LYS 268 Ca -0.13 -0.67 -0.20 0.00 0.02 0.00 0.00 55.97 55.00 1xr9 s LYS 268 Cb 0.17 0.13 -0.08 0.00 -0.52 0.00 0.00 37.83 37.53 1xr9 s LYS 268 CO 0.74 -0.06 0.84 -2.30 -0.92 0.00 0.00 175.35 173.65 1xr9 n PRO 269 N 1.42 0.90 -3.75 -1.68 -0.02 -1.26 -4.97 135.00 125.63 1xr9 n PRO 269 Ca -0.23 0.34 -0.36 0.00 -2.02 0.00 0.00 63.50 61.23 1xr9 n PRO 269 Cb 0.56 -1.98 -0.06 0.00 -0.02 0.00 0.00 33.50 32.00 1xr9 n PRO 269 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1xr9 s LEU 270 N -0.70 4.40 -0.11 2.45 1.43 0.43 -4.92 118.68 121.65 1xr9 s LEU 270 Ca 0.70 0.61 0.02 0.00 -1.03 0.00 0.00 54.13 54.43 1xr9 s LEU 270 Cb -0.47 -2.41 -0.01 0.00 0.03 0.00 0.00 46.19 43.33 1xr9 s LEU 270 CO 0.52 0.33 -0.17 -0.89 0.23 0.00 0.00 176.35 176.37 1xr9 s THR 271 N -1.14 2.68 0.11 5.49 2.01 -1.26 -0.41 115.64 123.12 1xr9 s THR 271 Ca 0.22 -0.80 0.03 0.00 0.31 0.00 0.00 61.69 61.45 1xr9 s THR 271 Cb -0.13 -2.09 -0.04 0.00 0.01 0.00 0.00 72.50 70.25 1xr9 s THR 271 CO 0.11 0.54 -0.09 -0.76 -0.69 0.00 0.00 174.62 173.73 1xr9 s LEU 272 N 0.29 2.49 0.24 4.42 1.02 0.09 -4.97 118.68 122.26 1xr9 s LEU 272 Ca -0.13 -0.95 0.02 0.00 0.02 0.00 0.00 54.13 53.09 1xr9 s LEU 272 Cb -0.16 -0.21 -0.05 0.00 0.02 0.00 0.00 46.19 45.78 1xr9 s LEU 272 CO 0.07 -0.37 0.05 -0.13 0.02 0.00 0.00 176.35 175.99 1xr9 s ARG 273 N -3.51 1.36 0.19 1.70 0.52 -1.26 -0.36 118.95 117.58 1xr9 s ARG 273 Ca 0.11 -1.72 -0.31 0.00 -0.52 0.00 0.00 55.73 53.30 1xr9 s ARG 273 Cb 0.02 -0.39 -0.09 0.00 0.52 0.00 0.00 34.95 35.01 1xr9 s ARG 273 CO -0.02 -0.21 1.45 -0.46 0.02 0.00 0.00 175.30 176.08 1xr9 s TRP 274 N -3.63 3.11 -0.49 -0.53 -0.00 -1.26 -4.63 118.94 111.51 1xr9 s TRP 274 Ca 0.33 0.91 0.02 0.00 -0.00 0.00 0.00 56.10 57.36 1xr9 s TRP 274 Cb 0.07 -3.80 0.13 0.00 -0.00 0.00 0.00 33.47 29.87 1xr9 s TRP 274 CO 0.11 -2.75 0.24 -1.21 -0.00 0.00 0.00 176.95 173.34 1xr9 s GLU 275 N 0.45 1.99 0.00 5.86 0.41 -1.26 -4.97 118.70 121.18 1xr9 s GLU 275 Ca 0.64 -2.36 0.27 0.00 -0.41 0.00 0.00 54.97 53.10 1xr9 s GLU 275 Cb -0.41 -3.41 1.60 0.00 -1.78 0.00 0.00 34.13 30.14 1xr9 s GLU 275 CO 0.36 -1.08 1.95 -0.35 -0.49 0.00 0.00 175.26 175.65