#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pk9 s THR 2 N 0.00 2.39 0.47 0.00 -4.23 0.01 -4.96 115.64 109.33 1pk9 s THR 2 Ca 0.00 -1.77 0.29 0.00 -1.18 0.00 0.00 61.69 59.04 1pk9 s THR 2 Cb 0.00 -2.96 0.49 0.00 1.34 0.00 0.00 72.50 71.37 1pk9 s THR 2 CO 0.00 -0.05 1.75 -0.65 -0.54 0.00 0.00 174.62 175.13 1pk9 h PRO 3 N 1.53 0.16 -0.00 3.99 0.11 -2.01 -2.62 132.00 133.16 1pk9 h PRO 3 Ca -0.43 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1pk9 h PRO 3 Cb 1.25 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1pk9 h PRO 3 CO 0.70 0.11 0.00 0.72 -0.21 0.00 0.00 178.00 179.32 1pk9 n HIS 4 N -4.42 0.01 -3.77 0.65 8.25 -1.26 -4.98 115.22 109.69 1pk9 n HIS 4 Ca 0.28 -0.09 -0.25 0.00 -0.26 0.00 0.00 57.72 57.40 1pk9 n HIS 4 Cb 1.18 -0.01 -0.17 0.00 1.12 0.00 0.00 29.99 32.11 1pk9 n HIS 4 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1pk9 s ILE 5 N -0.24 0.48 -1.09 1.59 1.01 -0.99 -4.70 121.20 117.28 1pk9 s ILE 5 Ca 0.01 -0.11 -0.13 0.00 0.00 0.00 0.00 60.65 60.42 1pk9 s ILE 5 Cb 0.01 -0.72 0.20 0.00 0.01 0.00 0.00 42.46 41.95 1pk9 s ILE 5 CO 0.01 0.14 1.21 0.21 0.00 0.00 0.00 174.94 176.51 1pk9 s ASN 6 N 1.91 7.03 0.32 3.58 2.47 -1.26 -0.81 114.94 128.19 1pk9 s ASN 6 Ca 0.03 -2.96 -0.11 0.00 0.42 0.00 0.00 52.86 50.24 1pk9 s ASN 6 Cb -0.14 -2.32 0.02 0.00 -1.45 0.00 0.00 41.25 37.36 1pk9 s ASN 6 CO -0.06 -0.65 0.58 0.00 -3.72 0.00 0.00 177.10 173.25 1pk9 s ALA 7 N 0.80 -0.11 0.19 1.71 0.00 -1.26 -4.64 121.76 118.45 1pk9 s ALA 7 Ca 0.35 -1.02 0.08 0.00 0.00 0.00 0.00 51.96 51.37 1pk9 s ALA 7 Cb -0.06 0.97 -0.04 0.00 0.00 0.00 0.00 23.12 23.99 1pk9 s ALA 7 CO -0.05 -0.88 -0.16 -1.21 0.00 0.00 0.00 175.76 173.46 1pk9 s GLU 8 N -3.20 1.31 0.03 0.00 0.41 -1.26 -1.13 118.70 114.86 1pk9 s GLU 8 Ca 0.22 -1.53 -0.36 0.00 -0.41 0.00 0.00 54.97 52.89 1pk9 s GLU 8 Cb -0.02 -1.19 -0.16 0.00 -1.78 0.00 0.00 34.13 30.98 1pk9 s GLU 8 CO 0.13 0.21 1.49 -0.12 -0.49 0.00 0.00 175.26 176.49 1pk9 n MET 9 N -0.16 1.43 0.00 1.61 0.00 -1.26 -1.39 117.12 117.35 1pk9 n MET 9 Ca -0.10 0.52 0.00 0.00 -0.00 0.00 0.00 57.70 58.12 1pk9 n MET 9 Cb 0.59 -2.21 0.00 0.00 0.00 0.00 0.00 33.22 31.60 1pk9 n MET 9 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1pk9 n GLY 10 N 3.11 2.28 0.19 -5.12 0.00 -1.26 -4.94 105.19 99.44 1pk9 n GLY 10 Ca 0.20 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.25 1pk9 n GLY 10 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1pk9 h ASP 11 N 0.47 0.00 -3.05 1.61 3.32 -1.59 -3.43 116.42 113.75 1pk9 h ASP 11 Ca 0.00 0.00 -0.63 0.00 0.02 0.00 0.00 57.03 56.42 1pk9 h ASP 11 Cb 0.00 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 39.48 1pk9 h ASP 11 CO 0.00 0.36 -0.57 -0.36 -1.72 0.00 0.00 179.24 176.96 1pk9 s PHE 12 N -4.12 3.29 0.97 4.55 0.40 -1.26 -4.73 117.98 117.07 1pk9 s PHE 12 Ca -0.03 0.12 -0.14 0.00 -0.60 0.00 0.00 56.93 56.28 1pk9 s PHE 12 Cb 0.14 -1.65 0.17 0.00 0.51 0.00 0.00 43.02 42.19 1pk9 s PHE 12 CO 0.71 0.54 1.17 0.00 0.70 0.00 0.00 175.22 178.34 1pk9 s ALA 13 N -1.46 1.66 -1.66 5.36 0.00 -1.26 -4.92 121.76 119.48 1pk9 s ALA 13 Ca 0.31 -0.72 0.27 0.00 0.00 0.00 0.00 51.96 51.82 1pk9 s ALA 13 Cb -0.12 -2.96 1.49 0.00 0.00 0.00 0.00 23.12 21.53 1pk9 s ALA 13 CO 0.24 -2.54 1.96 -0.40 0.00 0.00 0.00 175.76 175.02 1pk9 n ASP 14 N -3.94 0.00 -3.96 0.00 5.75 -1.26 -4.62 116.55 108.52 1pk9 n ASP 14 Ca 0.09 -0.41 -0.21 0.00 -0.01 0.00 0.00 54.79 54.25 1pk9 n ASP 14 Cb 0.59 -0.17 -0.16 0.00 -1.03 0.00 0.00 41.12 40.35 1pk9 n ASP 14 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1pk9 s VAL 15 N -2.34 0.72 -0.06 2.12 1.01 -1.26 -0.53 120.40 120.05 1pk9 s VAL 15 Ca 0.32 -0.28 0.01 0.00 0.00 0.00 0.00 61.98 62.03 1pk9 s VAL 15 Cb 0.19 -0.68 0.02 0.00 0.00 0.00 0.00 36.38 35.91 1pk9 s VAL 15 CO 0.37 0.25 -0.06 0.54 0.00 0.00 0.00 175.10 176.20 1pk9 s VAL 16 N 0.53 0.70 0.12 2.92 0.11 -0.75 -2.64 120.40 121.39 1pk9 s VAL 16 Ca -0.08 -0.19 -0.23 0.00 -2.93 0.00 0.00 61.98 58.55 1pk9 s VAL 16 Cb -0.12 -0.72 -0.07 0.00 -1.53 0.00 0.00 36.38 33.94 1pk9 s VAL 16 CO 0.01 0.27 0.68 -0.76 -3.33 0.00 0.00 175.10 171.98 1pk9 s LEU 17 N 1.06 4.56 -0.18 2.54 1.02 -0.31 -1.76 118.68 125.61 1pk9 s LEU 17 Ca -0.08 1.47 -0.04 0.00 0.02 0.00 0.00 54.13 55.50 1pk9 s LEU 17 Cb -0.14 -3.12 0.06 0.00 0.02 0.00 0.00 46.19 43.01 1pk9 s LEU 17 CO -0.01 0.23 0.07 -0.04 0.02 0.00 0.00 176.35 176.63 1pk9 s MET 18 N -1.10 0.30 0.36 1.70 -1.94 -0.09 -1.67 119.30 116.87 1pk9 s MET 18 Ca 0.33 -0.24 0.01 0.00 -1.71 0.00 0.00 55.69 54.08 1pk9 s MET 18 Cb -0.21 -1.92 -0.02 0.00 2.01 0.00 0.00 34.83 34.68 1pk9 s MET 18 CO 0.23 -0.67 0.56 -1.25 -0.01 0.00 0.00 175.02 173.87 1pk9 s PRO 19 N 2.02 3.35 0.29 2.03 0.04 -1.24 -1.86 135.00 139.63 1pk9 s PRO 19 Ca 0.01 -0.46 0.12 0.00 0.04 0.00 0.00 61.00 60.71 1pk9 s PRO 19 Cb -0.16 -2.67 0.41 0.00 0.04 0.00 0.00 34.50 32.12 1pk9 s PRO 19 CO -0.10 0.06 1.63 0.78 0.04 0.00 0.00 177.00 179.41 1pk9 h GLY 20 N 0.71 0.00 -6.40 0.56 0.00 -1.83 -1.17 103.07 94.93 1pk9 h GLY 20 Ca -0.49 0.00 -0.60 0.00 0.00 0.00 0.00 47.33 46.24 1pk9 h GLY 20 CO 0.60 0.00 -0.04 -0.35 0.00 0.00 0.00 176.54 176.75 1pk9 s ASP 21 N -6.75 6.52 0.37 0.19 2.15 -1.26 -1.80 116.67 116.09 1pk9 s ASP 21 Ca -0.01 0.62 0.04 0.00 0.43 0.00 0.00 52.55 53.63 1pk9 s ASP 21 Cb 0.12 -2.29 0.72 0.00 -0.30 0.00 0.00 42.92 41.17 1pk9 s ASP 21 CO 0.75 -0.21 2.01 -0.65 -0.17 0.00 0.00 175.17 176.90 1pk9 h PRO 22 N 7.62 0.67 0.00 4.34 0.11 -1.89 -1.72 132.00 141.14 1pk9 h PRO 22 Ca -0.32 -0.05 -0.06 0.00 0.11 0.00 0.00 66.00 65.68 1pk9 h PRO 22 Cb 1.15 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.11 1pk9 h PRO 22 CO 0.73 0.48 -0.26 -0.07 -0.21 0.00 0.00 178.00 178.67 1pk9 h LEU 23 N 0.69 0.00 -0.15 2.35 3.38 -1.93 -2.01 115.31 117.63 1pk9 h LEU 23 Ca 0.18 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.93 1pk9 h LEU 23 Cb -0.02 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 1pk9 h LEU 23 CO -0.03 0.26 -0.98 -0.09 0.09 0.00 0.00 178.44 177.69 1pk9 h ARG 24 N 0.00 0.28 -0.56 1.13 2.43 -1.52 -2.41 114.38 113.73 1pk9 h ARG 24 Ca -0.00 -0.33 -0.02 0.00 -0.81 0.00 0.00 59.98 58.81 1pk9 h ARG 24 Cb 0.65 0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 30.28 1pk9 h ARG 24 CO 0.03 1.06 0.27 0.00 -1.51 0.00 0.00 179.97 179.82 1pk9 h ALA 25 N 0.82 0.72 -0.43 2.80 0.00 -1.10 0.97 119.26 123.04 1pk9 h ALA 25 Ca -0.07 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1pk9 h ALA 25 Cb 1.63 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 19.18 1pk9 h ALA 25 CO 0.16 0.29 0.28 -0.22 0.00 0.00 0.00 179.25 179.76 1pk9 h LYS 26 N 0.76 0.57 -0.61 0.00 3.64 -1.32 -0.23 116.57 119.37 1pk9 h LYS 26 Ca 0.19 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.50 1pk9 h LYS 26 Cb 0.12 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 31.79 1pk9 h LYS 26 CO -0.02 0.39 0.26 -0.92 -2.27 0.00 0.00 179.45 176.88 1pk9 h TYR 27 N 0.58 0.92 -0.66 1.91 5.03 -1.06 -1.12 116.97 122.57 1pk9 h TYR 27 Ca 0.16 -0.06 -0.03 0.00 2.58 0.00 0.00 58.73 61.38 1pk9 h TYR 27 Cb -0.05 -0.28 -0.03 0.00 1.55 0.00 0.00 36.73 37.92 1pk9 h TYR 27 CO -0.04 0.72 0.31 0.82 -1.32 0.00 0.00 178.16 178.65 1pk9 h ILE 28 N 0.85 1.23 -0.65 1.81 2.04 -0.40 0.24 117.51 122.63 1pk9 h ILE 28 Ca 0.21 -0.65 -0.07 0.00 1.00 0.00 0.00 64.86 65.34 1pk9 h ILE 28 Cb 0.18 0.43 -0.03 0.00 -0.74 0.00 0.00 36.82 36.66 1pk9 h ILE 28 CO -0.02 0.27 0.13 0.00 0.00 0.00 0.00 178.15 178.53 1pk9 h ALA 29 N 1.14 1.01 0.00 1.87 0.00 -0.71 0.29 119.26 122.86 1pk9 h ALA 29 Ca 0.23 -0.25 -0.17 0.00 0.00 0.00 0.00 54.91 54.72 1pk9 h ALA 29 Cb 0.13 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1pk9 h ALA 29 CO -0.03 0.64 -0.81 0.93 0.00 0.00 0.00 179.25 179.98 1pk9 h GLU 30 N 0.98 0.00 0.02 0.00 5.08 -0.92 -3.04 114.58 116.70 1pk9 h GLU 30 Ca 0.20 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 58.23 1pk9 h GLU 30 Cb 0.39 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.59 1pk9 h GLU 30 CO 0.01 0.81 -1.98 2.41 -1.00 0.00 0.00 179.01 179.26 1pk9 n THR 31 N -3.41 1.58 0.01 1.13 -1.04 0.05 -4.71 114.28 107.89 1pk9 n THR 31 Ca 0.00 -0.77 0.03 0.00 -2.04 0.00 0.00 64.05 61.28 1pk9 n THR 31 Cb 0.82 -1.07 -0.05 0.00 -1.82 0.00 0.00 70.33 68.22 1pk9 n THR 31 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 1pk9 n PHE 32 N -3.08 0.00 -4.19 -1.42 3.01 0.08 -5.04 117.46 106.82 1pk9 n PHE 32 Ca -0.26 0.00 -0.33 0.00 1.01 0.00 0.00 57.45 57.87 1pk9 n PHE 32 Cb 1.07 -0.13 -0.08 0.00 -0.01 0.00 0.00 39.48 40.33 1pk9 n PHE 32 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1pk9 s LEU 33 N -3.35 3.73 -0.01 4.37 1.43 -1.15 -4.72 118.68 118.98 1pk9 s LEU 33 Ca -0.02 0.09 -0.07 0.00 -1.03 0.00 0.00 54.13 53.10 1pk9 s LEU 33 Cb 0.04 -2.13 -0.05 0.00 0.03 0.00 0.00 46.19 44.08 1pk9 s LEU 33 CO 0.25 0.29 0.27 -1.61 0.23 0.00 0.00 176.35 175.77 1pk9 s GLU 34 N -1.59 3.60 -1.48 1.70 2.02 0.37 -4.31 118.70 119.01 1pk9 s GLU 34 Ca 0.21 -0.03 -0.12 0.00 0.02 0.00 0.00 54.97 55.04 1pk9 s GLU 34 Cb -0.12 -3.11 0.06 0.00 0.10 0.00 0.00 34.13 31.07 1pk9 s GLU 34 CO 0.11 0.67 1.06 -0.25 0.02 0.00 0.00 175.26 176.87 1pk9 n ASP 35 N 1.31 -5.40 -4.72 -0.19 10.43 -1.26 -1.72 116.55 115.00 1pk9 n ASP 35 Ca -0.13 -0.69 -0.42 0.00 2.57 0.00 0.00 54.79 56.12 1pk9 n ASP 35 Cb 0.53 -4.28 -0.03 0.00 1.84 0.00 0.00 41.12 39.18 1pk9 n ASP 35 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1pk9 s ALA 36 N -3.30 3.58 -0.03 2.24 0.00 -1.26 -4.61 121.76 118.38 1pk9 s ALA 36 Ca 0.64 1.12 0.04 0.00 0.00 0.00 0.00 51.96 53.77 1pk9 s ALA 36 Cb -0.31 -3.53 -0.01 0.00 0.00 0.00 0.00 23.12 19.28 1pk9 s ALA 36 CO 0.79 -0.60 -0.15 -0.98 0.00 0.00 0.00 175.76 174.83 1pk9 s ARG 37 N 0.78 1.37 0.02 0.00 1.70 -0.43 -4.95 118.95 117.44 1pk9 s ARG 37 Ca 0.63 -0.52 -0.30 0.00 -0.47 0.00 0.00 55.73 55.06 1pk9 s ARG 37 Cb -0.37 -1.26 -0.05 0.00 -0.57 0.00 0.00 34.95 32.70 1pk9 s ARG 37 CO 0.32 0.26 1.24 -2.00 -1.08 0.00 0.00 175.30 174.04 1pk9 s GLU 38 N -0.11 4.38 0.00 3.89 2.12 -1.26 -1.32 118.70 126.39 1pk9 s GLU 38 Ca 0.01 1.78 0.06 0.00 0.36 0.00 0.00 54.97 57.18 1pk9 s GLU 38 Cb -0.08 -3.45 -0.05 0.00 0.26 0.00 0.00 34.13 30.81 1pk9 s GLU 38 CO 0.01 -0.38 0.29 1.33 -0.54 0.00 0.00 175.26 175.97 1pk9 n VAL 39 N 4.27 0.00 -3.71 3.70 0.24 0.24 -4.96 118.33 118.10 1pk9 n VAL 39 Ca 0.10 -0.38 -0.14 0.00 -2.04 0.00 0.00 64.34 61.89 1pk9 n VAL 39 Cb 0.46 1.01 -0.09 0.00 -1.47 0.00 0.00 33.84 33.75 1pk9 n VAL 39 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 1pk9 s ASN 40 N -1.46 -0.40 0.00 -1.34 2.47 -1.18 -4.44 114.94 108.60 1pk9 s ASN 40 Ca 0.03 0.62 0.00 0.00 0.42 0.00 0.00 52.86 53.92 1pk9 s ASN 40 Cb 0.04 0.67 0.00 0.00 -1.45 0.00 0.00 41.25 40.52 1pk9 s ASN 40 CO 0.22 -0.30 0.00 -0.46 -3.72 0.00 0.00 177.10 172.84 1pk9 n ASN 41 N 2.12 0.00 -4.67 -4.21 0.23 -1.26 -2.06 115.26 105.41 1pk9 n ASN 41 Ca -0.17 -0.73 -0.46 0.00 -0.53 0.00 0.00 54.58 52.69 1pk9 n ASN 41 Cb 0.57 0.00 -0.04 0.00 -2.08 0.00 0.00 39.78 38.22 1pk9 n ASN 41 CO 0.00 0.00 0.00 0.52 -0.93 0.00 0.00 177.26 176.85 1pk9 n VAL 42 N 0.00 0.05 -1.28 3.53 0.31 -1.26 -0.53 118.33 119.14 1pk9 n VAL 42 Ca 0.00 -0.01 -0.10 0.00 -0.01 0.00 0.00 64.34 64.22 1pk9 n VAL 42 Cb 0.18 -1.55 -0.04 0.00 -0.91 0.00 0.00 33.84 31.52 1pk9 n VAL 42 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1pk9 n ARG 43 N 3.65 -1.72 -0.99 5.55 1.74 -1.26 -1.77 116.66 121.86 1pk9 n ARG 43 Ca 0.17 0.84 0.00 0.00 -0.77 0.00 0.00 57.85 58.09 1pk9 n ARG 43 Cb 0.29 -5.27 0.00 0.00 -1.02 0.00 0.00 32.46 26.46 1pk9 n ARG 43 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1pk9 n GLY 44 N 0.29 0.69 3.17 -0.13 0.00 0.31 -4.95 105.19 104.58 1pk9 n GLY 44 Ca -0.10 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.50 1pk9 n GLY 44 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1pk9 n MET 45 N -2.46 3.17 -1.62 1.61 0.00 -0.73 -4.85 117.12 112.25 1pk9 n MET 45 Ca 0.00 -3.18 -0.49 0.00 0.00 0.00 0.00 57.70 54.03 1pk9 n MET 45 Cb 0.01 -3.27 -0.05 0.00 0.00 0.00 0.00 33.22 29.92 1pk9 n MET 45 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 1pk9 n LEU 46 N 6.51 2.20 -4.13 -0.89 4.77 -1.26 -4.43 117.00 119.76 1pk9 n LEU 46 Ca 0.47 1.12 -0.22 0.00 -0.03 0.00 0.00 56.01 57.34 1pk9 n LEU 46 Cb 0.42 -1.29 -0.15 0.00 -2.33 0.00 0.00 43.42 40.07 1pk9 n LEU 46 CO 0.80 -0.84 -0.48 -0.83 -1.33 0.00 0.00 177.39 174.71 1pk9 s GLY 47 N 0.43 0.76 0.04 -0.72 0.00 -0.87 -2.78 107.32 104.17 1pk9 s GLY 47 Ca 0.78 -0.71 0.02 0.00 0.00 0.00 0.00 44.72 44.81 1pk9 s GLY 47 CO 0.46 -0.62 -0.06 -1.36 0.00 0.00 0.00 173.10 171.52 1pk9 s PHE 48 N -0.49 0.57 -0.07 1.90 0.08 -0.11 -0.59 117.98 119.27 1pk9 s PHE 48 Ca 0.05 -0.54 0.01 0.00 0.12 0.00 0.00 56.93 56.56 1pk9 s PHE 48 Cb -0.06 -0.35 0.02 0.00 -0.57 0.00 0.00 43.02 42.06 1pk9 s PHE 48 CO 0.00 -0.12 -0.06 0.99 -0.10 0.00 0.00 175.22 175.93 1pk9 s THR 49 N -1.58 0.74 0.00 0.64 2.01 -0.44 -0.75 115.64 116.26 1pk9 s THR 49 Ca -0.10 -0.20 0.00 0.00 0.31 0.00 0.00 61.69 61.70 1pk9 s THR 49 Cb -0.09 -0.75 0.00 0.00 0.01 0.00 0.00 72.50 71.67 1pk9 s THR 49 CO -0.00 0.29 0.00 0.61 -0.69 0.00 0.00 174.62 174.82 1pk9 n GLY 50 N 4.31 4.36 3.01 4.40 0.00 0.23 -1.31 105.19 120.19 1pk9 n GLY 50 Ca -0.20 -0.88 -0.14 0.00 0.00 0.00 0.00 46.02 44.80 1pk9 n GLY 50 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1pk9 s THR 51 N -0.45 0.47 -0.17 2.61 -1.32 -0.70 -1.25 115.64 114.83 1pk9 s THR 51 Ca 0.00 -0.66 -0.00 0.00 -1.21 0.00 0.00 61.69 59.82 1pk9 s THR 51 Cb 0.00 -0.48 0.04 0.00 -1.51 0.00 0.00 72.50 70.55 1pk9 s THR 51 CO 0.00 -0.14 -0.08 -0.47 -2.21 0.00 0.00 174.62 171.72 1pk9 s TYR 52 N -0.76 1.94 -1.57 9.09 6.14 0.88 -0.48 117.35 132.58 1pk9 s TYR 52 Ca -0.04 -1.22 -0.15 0.00 0.64 0.00 0.00 57.07 56.29 1pk9 s TYR 52 Cb -0.06 -1.43 0.11 0.00 0.42 0.00 0.00 41.96 41.00 1pk9 s TYR 52 CO 0.00 -0.65 0.89 1.63 0.64 0.00 0.00 175.55 178.06 1pk9 n LYS 53 N 4.81 -4.64 -0.09 4.97 5.02 -1.26 -0.17 118.16 126.81 1pk9 n LYS 53 Ca -0.13 0.52 0.00 0.00 -2.02 0.00 0.00 58.31 56.68 1pk9 n LYS 53 Cb 0.48 -5.36 0.00 0.00 -0.02 0.00 0.00 35.03 30.13 1pk9 n LYS 53 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1pk9 n GLY 54 N -1.56 2.37 3.68 0.72 0.00 -1.26 -5.01 105.19 104.13 1pk9 n GLY 54 Ca 0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 1pk9 n GLY 54 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1pk9 s ARG 55 N -0.15 4.31 -0.00 1.61 3.00 0.77 -5.02 118.95 123.46 1pk9 s ARG 55 Ca 0.00 0.74 -0.30 0.00 -1.00 0.00 0.00 55.73 55.17 1pk9 s ARG 55 Cb 0.00 -3.52 -0.06 0.00 0.00 0.00 0.00 34.95 31.37 1pk9 s ARG 55 CO 0.00 -0.12 1.44 0.21 0.00 0.00 0.00 175.30 176.83 1pk9 s LYS 56 N 1.48 4.26 -0.00 5.12 2.20 -1.26 -0.09 119.74 131.46 1pk9 s LYS 56 Ca 0.32 2.01 -0.06 0.00 -0.36 0.00 0.00 55.97 57.89 1pk9 s LYS 56 Cb -0.16 -3.61 -0.00 0.00 -1.51 0.00 0.00 37.83 32.55 1pk9 s LYS 56 CO 0.13 -0.62 0.10 0.42 -0.36 0.00 0.00 175.35 175.03 1pk9 s ILE 57 N 2.58 0.08 0.26 5.43 1.01 -0.38 -4.69 121.20 125.48 1pk9 s ILE 57 Ca 0.65 -0.64 0.12 0.00 0.00 0.00 0.00 60.65 60.78 1pk9 s ILE 57 Cb -0.32 -0.37 -0.05 0.00 0.01 0.00 0.00 42.46 41.73 1pk9 s ILE 57 CO 0.27 -0.35 -0.19 -0.44 0.00 0.00 0.00 174.94 174.23 1pk9 s SER 58 N -1.20 3.64 -0.14 3.58 0.01 -1.08 -0.60 113.70 117.91 1pk9 s SER 58 Ca -0.13 -0.95 -0.05 0.00 1.31 0.00 0.00 55.95 56.12 1pk9 s SER 58 Cb -0.07 -0.34 0.06 0.00 0.21 0.00 0.00 66.02 65.88 1pk9 s SER 58 CO 0.01 0.06 0.29 0.54 0.41 0.00 0.00 173.24 174.55 1pk9 s VAL 59 N -2.28 -0.35 -0.07 3.43 0.11 0.07 -1.16 120.40 120.15 1pk9 s VAL 59 Ca 0.28 0.23 -0.07 0.00 -2.93 0.00 0.00 61.98 59.49 1pk9 s VAL 59 Cb -0.06 -0.47 0.02 0.00 -1.53 0.00 0.00 36.38 34.33 1pk9 s VAL 59 CO 0.14 0.09 0.19 -0.32 -3.33 0.00 0.00 175.10 171.88 1pk9 s MET 60 N 2.14 0.25 0.79 1.54 1.75 -0.67 -0.94 119.30 124.16 1pk9 s MET 60 Ca -0.02 0.22 -0.11 0.00 -1.25 0.00 0.00 55.69 54.53 1pk9 s MET 60 Cb -0.11 0.12 0.07 0.00 2.84 0.00 0.00 34.83 37.74 1pk9 s MET 60 CO -0.09 -0.03 1.09 0.20 -0.65 0.00 0.00 175.02 175.53 1pk9 s GLY 61 N -0.01 1.66 0.00 2.11 0.00 -1.12 -3.72 107.32 106.24 1pk9 s GLY 61 Ca -0.01 0.18 0.00 0.00 0.00 0.00 0.00 44.72 44.89 1pk9 s GLY 61 CO 0.00 0.55 0.25 -2.39 0.00 0.00 0.00 173.10 171.52 1pk9 n HIS 62 N -3.56 0.00 0.00 1.90 1.44 -0.44 -4.90 115.22 109.66 1pk9 n HIS 62 Ca 0.08 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.79 1pk9 n HIS 62 Cb 0.54 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.65 1pk9 n HIS 62 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1pk9 n GLY 63 N 0.11 -1.85 3.77 -1.39 0.00 -0.74 -2.89 105.19 102.19 1pk9 n GLY 63 Ca 0.00 -1.51 -0.38 0.00 0.00 0.00 0.00 46.02 44.13 1pk9 n GLY 63 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1pk9 s MET 64 N -1.89 4.19 0.00 1.61 1.00 -1.26 -4.58 119.30 118.37 1pk9 s MET 64 Ca 0.00 0.45 0.00 0.00 0.00 0.00 0.00 55.69 56.14 1pk9 s MET 64 Cb 0.00 -3.35 0.00 0.00 0.00 0.00 0.00 34.83 31.48 1pk9 s MET 64 CO 0.00 0.38 0.00 0.41 0.00 0.00 0.00 175.02 175.81 1pk9 n GLY 65 N 2.65 2.26 0.24 -0.03 0.00 -1.24 -4.48 105.19 104.59 1pk9 n GLY 65 Ca -0.10 -1.73 -0.04 0.00 0.00 0.00 0.00 46.02 44.16 1pk9 n GLY 65 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1pk9 h ILE 66 N 0.00 1.04 -0.94 -0.61 2.04 -1.76 -2.35 117.51 114.94 1pk9 h ILE 66 Ca 0.00 -0.24 0.02 0.00 1.00 0.00 0.00 64.86 65.64 1pk9 h ILE 66 Cb 0.00 0.27 -0.05 0.00 -0.74 0.00 0.00 36.82 36.30 1pk9 h ILE 66 CO 0.00 0.13 0.62 -0.65 0.00 0.00 0.00 178.15 178.25 1pk9 h PRO 67 N 0.71 1.19 0.37 2.37 0.11 -1.90 -0.50 132.00 134.35 1pk9 h PRO 67 Ca 0.26 -0.07 -0.02 0.00 0.11 0.00 0.00 66.00 66.28 1pk9 h PRO 67 Cb 0.07 -0.27 0.00 0.00 0.11 0.00 0.00 31.00 30.91 1pk9 h PRO 67 CO -0.12 0.79 -0.18 1.03 -0.21 0.00 0.00 178.00 179.31 1pk9 h SER 68 N 1.23 -0.42 0.48 -2.05 0.87 -1.71 -3.15 113.55 108.79 1pk9 h SER 68 Ca 0.36 -0.14 -0.03 0.00 -1.23 0.00 0.00 61.79 60.75 1pk9 h SER 68 Cb -0.08 0.11 -0.00 0.00 -0.44 0.00 0.00 62.40 61.99 1pk9 h SER 68 CO -0.10 -0.06 -0.13 0.00 -0.53 0.00 0.00 176.83 176.02 1pk9 h SER 70 N 0.00 0.60 0.28 0.00 0.02 -1.07 -1.79 113.55 111.59 1pk9 h SER 70 Ca -0.00 -0.15 -0.01 0.00 -0.84 0.00 0.00 61.79 60.79 1pk9 h SER 70 Cb 0.40 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.78 1pk9 h SER 70 CO 0.02 0.71 -0.14 0.40 -1.14 0.00 0.00 176.83 176.68 1pk9 h ILE 71 N 0.58 0.75 -0.39 3.27 2.04 -1.42 -2.63 117.51 119.72 1pk9 h ILE 71 Ca 0.11 -0.50 -0.04 0.00 1.00 0.00 0.00 64.86 65.43 1pk9 h ILE 71 Cb 0.46 1.02 -0.02 0.00 -0.74 0.00 0.00 36.82 37.55 1pk9 h ILE 71 CO 0.02 0.10 0.09 1.88 0.00 0.00 0.00 178.15 180.25 1pk9 h TYR 72 N -0.65 0.65 -0.68 1.37 0.05 -1.52 -2.40 116.97 113.79 1pk9 h TYR 72 Ca -0.04 -0.08 -0.06 0.00 0.05 0.00 0.00 58.73 58.61 1pk9 h TYR 72 Cb 0.46 -0.18 -0.03 0.00 1.01 0.00 0.00 36.73 37.99 1pk9 h TYR 72 CO 0.01 0.63 0.21 1.79 -1.05 0.00 0.00 178.16 179.75 1pk9 h THR 73 N 0.48 1.25 -0.04 -2.88 1.35 -1.43 -2.14 112.91 109.51 1pk9 h THR 73 Ca 0.12 -0.88 0.00 0.00 -0.55 0.00 0.00 66.41 65.10 1pk9 h THR 73 Cb 0.31 0.54 -0.00 0.00 -1.73 0.00 0.00 68.15 67.27 1pk9 h THR 73 CO 0.00 0.34 0.01 0.50 -0.25 0.00 0.00 175.52 176.12 1pk9 h LYS 74 N 1.00 0.03 -0.85 4.72 3.11 -1.39 -2.19 116.57 121.00 1pk9 h LYS 74 Ca 0.22 -0.00 -0.00 0.00 -2.81 0.00 0.00 60.65 58.05 1pk9 h LYS 74 Cb 0.31 -0.01 -0.04 0.00 -1.00 0.00 0.00 32.23 31.49 1pk9 h LYS 74 CO -0.01 0.02 0.52 0.93 -2.81 0.00 0.00 179.45 178.11 1pk9 h GLU 75 N 0.03 1.14 -0.54 1.90 5.08 -1.30 -1.12 114.58 119.78 1pk9 h GLU 75 Ca 0.02 -0.10 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 1pk9 h GLU 75 Cb 0.01 -0.24 -0.03 0.00 0.50 0.00 0.00 28.75 28.99 1pk9 h GLU 75 CO -0.02 0.79 0.28 -0.07 -1.00 0.00 0.00 179.01 179.00 1pk9 h LEU 76 N 1.16 0.68 -0.30 1.33 3.38 -1.25 -1.00 115.31 119.31 1pk9 h LEU 76 Ca 0.31 -0.11 -0.09 0.00 0.09 0.00 0.00 57.88 58.08 1pk9 h LEU 76 Cb -0.07 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 1pk9 h LEU 76 CO -0.06 0.59 -0.16 0.40 0.09 0.00 0.00 178.44 179.31 1pk9 h ILE 77 N 0.72 1.29 0.00 1.22 2.04 -1.06 -1.72 117.51 120.00 1pk9 h ILE 77 Ca 0.19 -1.27 -0.14 0.00 1.00 0.00 0.00 64.86 64.64 1pk9 h ILE 77 Cb 0.07 1.47 -0.02 0.00 -0.74 0.00 0.00 36.82 37.60 1pk9 h ILE 77 CO -0.03 0.41 -0.95 0.71 0.00 0.00 0.00 178.15 178.29 1pk9 h THR 78 N 0.39 0.78 0.00 -0.27 1.35 -1.19 -3.37 112.91 110.61 1pk9 h THR 78 Ca 0.07 -2.23 0.00 0.00 -0.55 0.00 0.00 66.41 63.69 1pk9 h THR 78 Cb 0.69 2.29 0.00 0.00 -1.73 0.00 0.00 68.15 69.40 1pk9 h THR 78 CO 0.05 0.44 0.00 0.47 -0.25 0.00 0.00 175.52 176.23 1pk9 n ASP 79 N -3.09 0.18 -0.10 5.36 9.92 -0.39 -4.77 116.55 123.66 1pk9 n ASP 79 Ca -0.03 -0.59 0.05 0.00 -0.53 0.00 0.00 54.79 53.69 1pk9 n ASP 79 Cb 0.80 0.82 0.06 0.00 -0.64 0.00 0.00 41.12 42.17 1pk9 n ASP 79 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 1pk9 n PHE 80 N -0.82 0.00 -1.83 1.24 3.01 -0.67 -4.44 117.46 113.95 1pk9 n PHE 80 Ca 0.00 -0.62 -0.20 0.00 1.01 0.00 0.00 57.45 57.64 1pk9 n PHE 80 Cb 0.00 -0.09 -0.06 0.00 -0.01 0.00 0.00 39.48 39.31 1pk9 n PHE 80 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1pk9 n GLY 81 N -0.83 1.21 3.70 1.37 0.00 -1.18 -4.59 105.19 104.87 1pk9 n GLY 81 Ca 0.07 -0.04 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 1pk9 n GLY 81 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pk9 s VAL 82 N -2.83 3.92 -0.21 1.61 1.01 -1.08 -4.69 120.40 118.12 1pk9 s VAL 82 Ca 0.00 1.32 0.14 0.00 0.00 0.00 0.00 61.98 63.43 1pk9 s VAL 82 Cb 0.00 -3.85 -0.23 0.00 0.00 0.00 0.00 36.38 32.31 1pk9 s VAL 82 CO 0.00 0.03 -0.01 0.29 0.00 0.00 0.00 175.10 175.41 1pk9 n LYS 83 N 4.88 0.71 -4.55 2.72 4.76 0.31 -4.50 118.16 122.48 1pk9 n LYS 83 Ca 0.11 0.03 -0.22 0.00 -2.87 0.00 0.00 58.31 55.36 1pk9 n LYS 83 Cb 0.45 -1.51 -0.16 0.00 -1.84 0.00 0.00 35.03 31.97 1pk9 n LYS 83 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1pk9 s LYS 84 N -2.49 1.20 -0.11 1.97 1.02 -0.88 -1.80 119.74 118.66 1pk9 s LYS 84 Ca -0.16 -0.41 0.02 0.00 0.02 0.00 0.00 55.97 55.43 1pk9 s LYS 84 Cb 0.07 -1.10 0.01 0.00 -0.52 0.00 0.00 37.83 36.29 1pk9 s LYS 84 CO 0.76 0.18 -0.16 0.42 -0.92 0.00 0.00 175.35 175.62 1pk9 s ILE 85 N 0.07 1.58 -0.29 2.17 1.01 -0.46 -1.82 121.20 123.45 1pk9 s ILE 85 Ca -0.02 -0.70 0.02 0.00 0.00 0.00 0.00 60.65 59.95 1pk9 s ILE 85 Cb -0.09 -1.43 0.07 0.00 0.01 0.00 0.00 42.46 41.02 1pk9 s ILE 85 CO 0.01 0.46 -0.04 -0.63 0.00 0.00 0.00 174.94 174.74 1pk9 s ILE 86 N 0.90 2.42 0.10 2.92 1.01 -0.72 -1.53 121.20 126.29 1pk9 s ILE 86 Ca -0.08 -1.77 -0.30 0.00 0.00 0.00 0.00 60.65 58.50 1pk9 s ILE 86 Cb -0.15 -2.51 -0.06 0.00 0.01 0.00 0.00 42.46 39.75 1pk9 s ILE 86 CO -0.01 -0.20 1.01 -0.60 0.00 0.00 0.00 174.94 175.14 1pk9 s ARG 87 N 1.09 4.64 -0.45 2.79 3.52 0.71 -0.91 118.95 130.34 1pk9 s ARG 87 Ca -0.03 1.52 0.03 0.00 -0.13 0.00 0.00 55.73 57.11 1pk9 s ARG 87 Cb -0.20 -3.37 0.13 0.00 -1.56 0.00 0.00 34.95 29.95 1pk9 s ARG 87 CO -0.05 0.11 0.23 0.14 -0.81 0.00 0.00 175.30 174.91 1pk9 s VAL 88 N 0.21 1.76 0.00 7.11 -7.23 -0.78 -0.75 120.40 120.72 1pk9 s VAL 88 Ca 0.49 -2.69 0.00 0.00 -1.81 0.00 0.00 61.98 57.97 1pk9 s VAL 88 Cb -0.24 -2.24 0.00 0.00 0.56 0.00 0.00 36.38 34.46 1pk9 s VAL 88 CO 0.30 -0.84 0.00 0.61 -0.31 0.00 0.00 175.10 174.87 1pk9 n GLY 89 N 3.54 7.23 3.53 2.32 0.00 -0.66 -4.10 105.19 117.06 1pk9 n GLY 89 Ca 0.07 -2.03 -0.25 0.00 0.00 0.00 0.00 46.02 43.80 1pk9 n GLY 89 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1pk9 s SER 90 N 0.71 3.73 0.21 1.61 1.04 -1.26 -1.36 113.70 118.38 1pk9 s SER 90 Ca 0.00 -1.15 -0.19 0.00 0.48 0.00 0.00 55.95 55.09 1pk9 s SER 90 Cb 0.00 -0.35 0.03 0.00 0.10 0.00 0.00 66.02 65.80 1pk9 s SER 90 CO 0.00 -0.15 0.59 0.00 0.98 0.00 0.00 173.24 174.66 1pk9 s GLY 92 N -2.87 1.91 0.15 0.00 0.00 -0.19 -0.96 107.32 105.37 1pk9 s GLY 92 Ca 0.09 -0.77 -0.09 0.00 0.00 0.00 0.00 44.72 43.94 1pk9 s GLY 92 CO -0.02 -0.50 0.46 0.00 0.00 0.00 0.00 173.10 173.05 1pk9 s ALA 93 N -0.83 3.67 -0.01 3.20 0.00 -0.48 0.37 121.76 127.68 1pk9 s ALA 93 Ca 0.13 -0.36 0.01 0.00 0.00 0.00 0.00 51.96 51.73 1pk9 s ALA 93 Cb -0.12 -2.32 -0.01 0.00 0.00 0.00 0.00 23.12 20.68 1pk9 s ALA 93 CO 0.03 0.56 0.00 1.55 0.00 0.00 0.00 175.76 177.90 1pk9 n VAL 94 N 0.32 0.05 -2.52 0.00 3.14 -1.26 -1.11 118.33 116.95 1pk9 n VAL 94 Ca -0.03 -0.03 -0.39 0.00 -2.96 0.00 0.00 64.34 60.93 1pk9 n VAL 94 Cb 0.52 -0.86 -0.04 0.00 -1.06 0.00 0.00 33.84 32.40 1pk9 n VAL 94 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 1pk9 s LEU 95 N -3.97 4.39 0.36 6.55 1.43 -1.26 -4.82 118.68 121.35 1pk9 s LEU 95 Ca -0.00 2.16 0.10 0.00 -1.03 0.00 0.00 54.13 55.35 1pk9 s LEU 95 Cb 0.00 -3.86 0.68 0.00 0.03 0.00 0.00 46.19 43.04 1pk9 s LEU 95 CO 0.03 -0.27 1.83 1.55 0.23 0.00 0.00 176.35 179.72 1pk9 h PRO 96 N 3.29 0.17 -0.91 1.29 0.13 -2.00 -2.99 132.00 130.98 1pk9 h PRO 96 Ca -0.47 -0.06 -0.06 0.00 -0.87 0.00 0.00 66.00 64.54 1pk9 h PRO 96 Cb 1.21 -0.01 -0.04 0.00 0.13 0.00 0.00 31.00 32.29 1pk9 h PRO 96 CO 0.65 0.44 0.08 -2.39 -0.23 0.00 0.00 178.00 176.55 1pk9 n HIS 97 N -4.16 0.82 -4.92 1.56 1.44 -1.26 -4.79 115.22 103.91 1pk9 n HIS 97 Ca -0.01 -0.51 -0.30 0.00 -2.01 0.00 0.00 57.72 54.89 1pk9 n HIS 97 Cb 0.37 -0.33 -0.17 0.00 0.12 0.00 0.00 29.99 29.98 1pk9 n HIS 97 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 1pk9 s VAL 98 N -1.41 1.82 0.30 0.61 1.01 -1.13 -5.14 120.40 116.46 1pk9 s VAL 98 Ca 0.19 -0.87 0.11 0.00 0.00 0.00 0.00 61.98 61.41 1pk9 s VAL 98 Cb 0.15 -1.60 -0.05 0.00 0.00 0.00 0.00 36.38 34.87 1pk9 s VAL 98 CO 0.05 0.51 -0.16 -1.59 0.00 0.00 0.00 175.10 173.90 1pk9 s LYS 99 N 0.55 1.75 0.31 2.72 -2.85 -1.26 -4.92 119.74 116.05 1pk9 s LYS 99 Ca -0.15 -1.80 -0.28 0.00 -1.00 0.00 0.00 55.97 52.75 1pk9 s LYS 99 Cb -0.17 -1.78 -0.14 0.00 -2.06 0.00 0.00 37.83 33.69 1pk9 s LYS 99 CO 0.05 0.28 1.06 1.28 0.10 0.00 0.00 175.35 178.12 1pk9 n LEU 100 N -0.69 2.14 0.00 2.77 4.77 -1.26 -1.94 117.00 122.79 1pk9 n LEU 100 Ca -0.05 1.18 0.00 0.00 -0.03 0.00 0.00 56.01 57.11 1pk9 n LEU 100 Cb 0.61 -1.33 0.00 0.00 -2.33 0.00 0.00 43.42 40.37 1pk9 n LEU 100 CO 0.40 -1.25 0.00 0.54 -1.33 0.00 0.00 177.39 175.75 1pk9 n ARG 101 N 0.66 -0.00 -2.28 3.23 1.74 0.84 -4.96 116.66 115.90 1pk9 n ARG 101 Ca 0.09 0.00 -0.37 0.00 -0.77 0.00 0.00 57.85 56.80 1pk9 n ARG 101 Cb 0.33 -2.54 -0.01 0.00 -1.02 0.00 0.00 32.46 29.22 1pk9 n ARG 101 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1pk9 s ASP 102 N -2.97 6.19 -0.16 0.55 1.01 -0.82 -4.68 116.67 115.79 1pk9 s ASP 102 Ca 0.00 2.28 -0.08 0.00 0.71 0.00 0.00 52.55 55.46 1pk9 s ASP 102 Cb 0.00 -2.60 -0.04 0.00 1.01 0.00 0.00 42.92 41.29 1pk9 s ASP 102 CO 0.00 -0.90 0.11 -0.69 0.21 0.00 0.00 175.17 173.90 1pk9 s VAL 103 N -1.57 5.27 0.02 -1.27 1.01 -1.26 -1.48 120.40 121.13 1pk9 s VAL 103 Ca 0.64 0.13 0.06 0.00 0.00 0.00 0.00 61.98 62.81 1pk9 s VAL 103 Cb -0.28 -3.35 -0.02 0.00 0.00 0.00 0.00 36.38 32.73 1pk9 s VAL 103 CO 0.34 0.51 -0.19 0.68 0.00 0.00 0.00 175.10 176.44 1pk9 s VAL 104 N -0.18 1.53 -0.23 2.92 -7.23 -0.04 -2.15 120.40 115.03 1pk9 s VAL 104 Ca 0.10 -1.05 -0.01 0.00 -1.81 0.00 0.00 61.98 59.21 1pk9 s VAL 104 Cb -0.12 -1.32 0.02 0.00 0.56 0.00 0.00 36.38 35.53 1pk9 s VAL 104 CO 0.01 0.24 -0.09 -0.63 -0.31 0.00 0.00 175.10 174.32 1pk9 s ILE 105 N -0.69 2.71 -0.78 -0.62 1.01 0.65 -0.79 121.20 122.70 1pk9 s ILE 105 Ca 0.07 -1.00 -0.24 0.00 0.00 0.00 0.00 60.65 59.48 1pk9 s ILE 105 Cb -0.08 -2.33 0.06 0.00 0.01 0.00 0.00 42.46 40.11 1pk9 s ILE 105 CO 0.01 0.27 1.18 -0.83 0.00 0.00 0.00 174.94 175.57 1pk9 s GLY 106 N 1.32 1.23 0.42 6.18 0.00 -0.52 -1.41 107.32 114.54 1pk9 s GLY 106 Ca 0.01 -1.84 0.23 0.00 0.00 0.00 0.00 44.72 43.12 1pk9 s GLY 106 CO -0.06 2.38 1.77 1.98 0.00 0.00 0.00 173.10 179.17 1pk9 h MET 107 N 9.70 0.00 -4.10 2.90 4.05 -1.29 -3.40 114.93 122.78 1pk9 h MET 107 Ca -0.16 0.00 -0.13 0.00 -0.28 0.00 0.00 59.70 59.13 1pk9 h MET 107 Cb 1.05 0.00 -0.14 0.00 -0.80 0.00 0.00 31.60 31.71 1pk9 h MET 107 CO 1.25 0.25 -0.47 0.20 0.23 0.00 0.00 176.91 178.37 1pk9 s GLY 108 N -4.30 0.63 -0.12 1.39 0.00 -1.15 -1.31 107.32 102.45 1pk9 s GLY 108 Ca 0.01 -1.10 -0.04 0.00 0.00 0.00 0.00 44.72 43.59 1pk9 s GLY 108 CO 0.65 -1.06 0.21 0.00 0.00 0.00 0.00 173.10 172.90 1pk9 s ALA 109 N -3.98 -0.31 0.72 3.20 0.00 -0.21 -1.63 121.76 119.55 1pk9 s ALA 109 Ca 0.18 0.61 -0.09 0.00 0.00 0.00 0.00 51.96 52.66 1pk9 s ALA 109 Cb 0.05 -0.99 0.05 0.00 0.00 0.00 0.00 23.12 22.23 1pk9 s ALA 109 CO -0.01 -0.72 1.07 0.00 0.00 0.00 0.00 175.76 176.10 1pk9 s THR 111 N -3.34 0.00 -0.71 0.00 -1.32 -1.26 -0.12 115.64 108.88 1pk9 s THR 111 Ca 0.59 0.00 0.12 0.00 -1.21 0.00 0.00 61.69 61.19 1pk9 s THR 111 Cb -0.11 -1.00 0.36 0.00 -1.51 0.00 0.00 72.50 70.24 1pk9 s THR 111 CO 0.48 0.00 1.29 -0.90 -2.21 0.00 0.00 174.62 173.28 1pk9 n ASP 112 N 0.08 3.16 -4.88 8.08 5.68 -1.21 -4.98 116.55 122.48 1pk9 n ASP 112 Ca -0.10 -2.26 -0.30 0.00 -0.50 0.00 0.00 54.79 51.63 1pk9 n ASP 112 Cb 0.60 -0.31 0.03 0.00 -1.14 0.00 0.00 41.12 40.30 1pk9 n ASP 112 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 1pk9 s SER 113 N -1.24 5.84 0.00 -1.12 0.15 -1.26 -4.89 113.70 111.18 1pk9 s SER 113 Ca 0.28 1.25 0.20 0.00 0.70 0.00 0.00 55.95 58.38 1pk9 s SER 113 Cb 0.18 -2.19 -0.07 0.00 -1.71 0.00 0.00 66.02 62.23 1pk9 s SER 113 CO 0.14 -1.09 0.96 1.17 1.20 0.00 0.00 173.24 175.62 1pk9 n LYS 114 N -2.86 1.15 -0.30 5.44 4.81 -1.26 -4.64 118.16 120.49 1pk9 n LYS 114 Ca 0.06 -0.68 0.07 0.00 -0.87 0.00 0.00 58.31 56.89 1pk9 n LYS 114 Cb 0.56 -1.41 0.22 0.00 0.02 0.00 0.00 35.03 34.41 1pk9 n LYS 114 CO 0.00 0.00 0.00 -0.39 1.17 0.00 0.00 177.40 178.18 1pk9 h VAL 115 N 1.61 0.77 0.00 3.15 -1.51 -1.99 -1.51 116.25 116.77 1pk9 h VAL 115 Ca 0.00 -0.24 -0.16 0.00 -1.23 0.00 0.00 66.70 65.07 1pk9 h VAL 115 Cb 0.63 0.02 -0.02 0.00 -2.13 0.00 0.00 31.29 29.79 1pk9 h VAL 115 CO 0.00 0.13 -0.76 0.78 -1.23 0.00 0.00 177.57 176.49 1pk9 h ASN 116 N 0.69 0.00 0.52 4.19 -0.26 -1.94 -2.73 115.58 116.05 1pk9 h ASN 116 Ca 0.46 0.00 -0.10 0.00 -0.56 0.00 0.00 56.30 56.10 1pk9 h ASN 116 Cb 0.61 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.85 1pk9 h ASN 116 CO -0.34 0.76 -0.48 0.03 -1.06 0.00 0.00 177.43 176.34 1pk9 h ARG 117 N 0.00 0.00 -0.07 0.81 3.08 -1.62 0.12 114.38 116.70 1pk9 h ARG 117 Ca -0.01 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 59.92 1pk9 h ARG 117 Cb 1.35 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.39 1pk9 h ARG 117 CO 0.10 0.48 -0.52 0.82 -1.07 0.00 0.00 179.97 179.78 1pk9 h ILE 118 N 0.00 1.36 0.00 2.04 2.04 -1.14 0.32 117.51 122.13 1pk9 h ILE 118 Ca -0.00 -1.79 -0.24 0.00 1.00 0.00 0.00 64.86 63.83 1pk9 h ILE 118 Cb 0.87 1.89 -0.04 0.00 -0.74 0.00 0.00 36.82 38.80 1pk9 h ILE 118 CO 0.06 0.53 -1.29 0.03 0.00 0.00 0.00 178.15 177.48 1pk9 h ARG 119 N 0.14 0.00 -0.77 2.37 3.08 -1.12 -3.39 114.38 114.69 1pk9 h ARG 119 Ca 0.00 0.00 -0.50 0.00 0.07 0.00 0.00 59.98 59.55 1pk9 h ARG 119 Cb 0.97 0.00 -0.29 0.00 0.08 0.00 0.00 29.97 30.73 1pk9 h ARG 119 CO 0.08 0.77 0.16 0.34 -1.07 0.00 0.00 179.97 180.25 1pk9 n PHE 120 N -3.22 2.56 -3.93 3.04 7.35 0.37 -4.95 117.46 118.69 1pk9 n PHE 120 Ca -0.07 -2.32 -0.31 0.00 -0.76 0.00 0.00 57.45 53.99 1pk9 n PHE 120 Cb 0.98 -0.86 0.01 0.00 0.35 0.00 0.00 39.48 39.96 1pk9 n PHE 120 CO 0.00 0.00 0.00 1.63 -0.76 0.00 0.00 176.76 177.63 1pk9 n LYS 121 N -0.95 -4.77 -1.53 -4.13 5.02 -1.16 -1.80 118.16 108.85 1pk9 n LYS 121 Ca 0.50 0.54 -0.16 0.00 -2.02 0.00 0.00 58.31 57.17 1pk9 n LYS 121 Cb 0.97 -5.38 -0.06 0.00 -0.02 0.00 0.00 35.03 30.53 1pk9 n LYS 121 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1pk9 n ASP 122 N -2.73 -4.91 -3.62 4.39 2.03 0.11 -5.01 116.55 106.81 1pk9 n ASP 122 Ca 0.05 0.36 -0.12 0.00 0.52 0.00 0.00 54.79 55.60 1pk9 n ASP 122 Cb 0.52 -3.83 0.03 0.00 -0.72 0.00 0.00 41.12 37.12 1pk9 n ASP 122 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 1pk9 n HIS 123 N -2.66 -2.27 -3.05 -0.67 8.25 -0.74 -5.01 115.22 109.06 1pk9 n HIS 123 Ca -0.16 -1.20 -0.43 0.00 -0.26 0.00 0.00 57.72 55.66 1pk9 n HIS 123 Cb 0.53 -0.29 -0.06 0.00 1.12 0.00 0.00 29.99 31.29 1pk9 n HIS 123 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1pk9 s ASP 124 N -2.95 6.28 -0.23 0.41 1.11 -1.26 -4.58 116.67 115.44 1pk9 s ASP 124 Ca 0.30 -0.64 -0.16 0.00 0.18 0.00 0.00 52.55 52.24 1pk9 s ASP 124 Cb -0.02 -2.34 -0.04 0.00 1.07 0.00 0.00 42.92 41.59 1pk9 s ASP 124 CO 0.19 -0.98 0.40 0.12 1.18 0.00 0.00 175.17 176.08 1pk9 s PHE 125 N 3.08 3.32 -0.68 4.23 5.36 -1.26 -5.02 117.98 127.01 1pk9 s PHE 125 Ca 0.21 0.54 -0.27 0.00 -0.96 0.00 0.00 56.93 56.46 1pk9 s PHE 125 Cb -0.16 -2.55 0.04 0.00 -0.34 0.00 0.00 43.02 40.00 1pk9 s PHE 125 CO 0.15 -0.11 1.20 0.00 -1.46 0.00 0.00 175.22 175.01 1pk9 s ALA 126 N 1.65 2.88 -0.59 11.12 0.00 -1.26 -4.96 121.76 130.60 1pk9 s ALA 126 Ca 0.18 -1.28 -0.27 0.00 0.00 0.00 0.00 51.96 50.58 1pk9 s ALA 126 Cb -0.15 -4.13 -0.00 0.00 0.00 0.00 0.00 23.12 18.84 1pk9 s ALA 126 CO 0.09 -3.02 1.60 0.00 0.00 0.00 0.00 175.76 174.42 1pk9 s ALA 127 N 5.25 2.56 0.25 0.00 0.00 -1.26 -4.97 121.76 123.59 1pk9 s ALA 127 Ca 0.35 -0.69 0.12 0.00 0.00 0.00 0.00 51.96 51.74 1pk9 s ALA 127 Cb -0.09 -4.20 -0.05 0.00 0.00 0.00 0.00 23.12 18.78 1pk9 s ALA 127 CO 0.17 -3.33 -0.21 0.96 0.00 0.00 0.00 175.76 173.35 1pk9 s ILE 128 N 7.24 2.44 0.72 0.00 -4.36 -1.26 -1.04 121.20 124.93 1pk9 s ILE 128 Ca 0.58 -2.29 -0.06 0.00 -0.26 0.00 0.00 60.65 58.62 1pk9 s ILE 128 Cb -0.12 -2.24 0.09 0.00 1.25 0.00 0.00 42.46 41.43 1pk9 s ILE 128 CO 0.23 -0.31 1.02 0.00 0.24 0.00 0.00 174.94 176.11 1pk9 s ALA 129 N -2.25 3.25 -0.10 2.27 0.00 -0.43 -4.89 121.76 119.61 1pk9 s ALA 129 Ca 0.27 -1.19 -0.30 0.00 0.00 0.00 0.00 51.96 50.75 1pk9 s ALA 129 Cb -0.06 -2.43 -0.02 0.00 0.00 0.00 0.00 23.12 20.61 1pk9 s ALA 129 CO 0.13 -1.42 1.20 0.34 0.00 0.00 0.00 175.76 176.02 1pk9 s ASP 130 N -4.60 7.03 0.19 0.00 -1.08 -0.79 -4.95 116.67 112.48 1pk9 s ASP 130 Ca 0.63 1.75 -0.13 0.00 -0.52 0.00 0.00 52.55 54.28 1pk9 s ASP 130 Cb -0.09 -2.55 0.21 0.00 -1.46 0.00 0.00 42.92 39.04 1pk9 s ASP 130 CO 0.45 -0.63 1.68 0.15 0.52 0.00 0.00 175.17 177.34 1pk9 h PHE 131 N 7.64 -0.02 -0.98 -5.34 3.57 -1.95 -1.46 116.94 118.40 1pk9 h PHE 131 Ca -0.31 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.23 1pk9 h PHE 131 Cb 1.14 0.09 -0.05 0.00 2.79 0.00 0.00 35.95 39.92 1pk9 h PHE 131 CO 0.75 -0.12 0.62 -0.44 -2.23 0.00 0.00 178.31 176.89 1pk9 h ASP 132 N 0.12 1.15 -0.55 0.41 3.32 -1.99 -0.77 116.42 118.12 1pk9 h ASP 132 Ca 0.27 -0.05 -0.06 0.00 0.02 0.00 0.00 57.03 57.21 1pk9 h ASP 132 Cb 0.41 -0.29 -0.03 0.00 0.22 0.00 0.00 39.33 39.64 1pk9 h ASP 132 CO -0.44 0.86 0.13 0.24 -1.72 0.00 0.00 179.24 178.31 1pk9 h MET 133 N 1.34 0.93 -0.23 3.56 2.86 -1.72 0.15 114.93 121.81 1pk9 h MET 133 Ca 0.35 -0.21 -0.03 0.00 -2.06 0.00 0.00 59.70 57.76 1pk9 h MET 133 Cb -0.10 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.42 1pk9 h MET 133 CO -0.07 0.84 0.03 0.28 1.06 0.00 0.00 176.91 179.05 1pk9 h VAL 134 N 0.89 1.23 -0.78 -2.22 2.07 -0.62 -1.72 116.25 115.09 1pk9 h VAL 134 Ca 0.19 -0.77 -0.02 0.00 0.82 0.00 0.00 66.70 66.92 1pk9 h VAL 134 Cb 0.34 1.29 -0.04 0.00 -1.52 0.00 0.00 31.29 31.36 1pk9 h VAL 134 CO 0.00 0.24 0.41 -0.09 0.02 0.00 0.00 177.57 178.15 1pk9 h ARG 135 N 0.19 1.10 -0.67 1.57 2.43 -0.87 -1.26 114.38 116.87 1pk9 h ARG 135 Ca 0.07 -0.14 0.01 0.00 -0.81 0.00 0.00 59.98 59.11 1pk9 h ARG 135 Cb 0.33 -0.21 -0.04 0.00 -0.42 0.00 0.00 29.97 29.64 1pk9 h ARG 135 CO 0.01 0.83 0.44 -0.91 -1.51 0.00 0.00 179.97 178.82 1pk9 h ASN 136 N 1.09 0.75 -0.62 -3.80 2.35 -0.51 -1.11 115.58 113.73 1pk9 h ASN 136 Ca 0.27 -0.01 -0.06 0.00 -0.55 0.00 0.00 56.30 55.95 1pk9 h ASN 136 Cb 0.06 -0.18 -0.03 0.00 0.05 0.00 0.00 38.32 38.23 1pk9 h ASN 136 CO -0.04 0.54 0.17 0.00 -1.65 0.00 0.00 177.43 176.45 1pk9 h ALA 137 N 1.26 0.81 -0.22 -0.83 0.00 -0.85 -0.81 119.26 118.62 1pk9 h ALA 137 Ca 0.25 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1pk9 h ALA 137 Cb -0.07 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 1pk9 h ALA 137 CO -0.07 0.51 0.08 0.28 0.00 0.00 0.00 179.25 180.05 1pk9 h VAL 138 N 0.90 1.18 -0.52 0.00 2.07 -0.91 -1.56 116.25 117.40 1pk9 h VAL 138 Ca 0.20 -0.55 -0.00 0.00 0.82 0.00 0.00 66.70 67.16 1pk9 h VAL 138 Cb 0.33 1.13 -0.03 0.00 -1.52 0.00 0.00 31.29 31.21 1pk9 h VAL 138 CO -0.00 0.18 0.32 0.44 0.02 0.00 0.00 177.57 178.52 1pk9 h ASP 139 N 0.19 0.63 -0.86 0.57 3.45 -1.10 -2.10 116.42 117.21 1pk9 h ASP 139 Ca 0.07 -0.06 -0.01 0.00 0.43 0.00 0.00 57.03 57.46 1pk9 h ASP 139 Cb 0.20 -0.16 -0.04 0.00 -0.56 0.00 0.00 39.33 38.77 1pk9 h ASP 139 CO -0.00 0.50 0.50 0.00 -1.57 0.00 0.00 179.24 178.67 1pk9 h ALA 140 N 1.15 1.25 -0.48 3.45 0.00 -1.03 -1.39 119.26 122.21 1pk9 h ALA 140 Ca 0.19 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 1pk9 h ALA 140 Cb -0.01 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.41 1pk9 h ALA 140 CO -0.04 0.63 0.07 0.00 0.00 0.00 0.00 179.25 179.91 1pk9 h ALA 141 N 1.35 0.64 -0.75 0.00 0.00 -0.96 -1.62 119.26 117.92 1pk9 h ALA 141 Ca 0.31 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 1pk9 h ALA 141 Cb -0.02 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 1pk9 h ALA 141 CO -0.05 0.37 0.26 -0.22 0.00 0.00 0.00 179.25 179.61 1pk9 h LYS 142 N 0.67 1.14 -0.21 0.00 3.64 -1.02 0.37 116.57 121.15 1pk9 h LYS 142 Ca 0.14 -0.23 -0.06 0.00 -1.27 0.00 0.00 60.65 59.23 1pk9 h LYS 142 Cb 0.40 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.03 1pk9 h LYS 142 CO 0.01 0.95 -0.14 0.00 -2.27 0.00 0.00 179.45 178.00 1pk9 h ALA 143 N 1.13 1.37 -0.00 5.00 0.00 -1.08 -2.32 119.26 123.36 1pk9 h ALA 143 Ca 0.24 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1pk9 h ALA 143 Cb 0.26 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1pk9 h ALA 143 CO -0.01 0.43 -0.30 1.28 0.00 0.00 0.00 179.25 180.64 1pk9 n LEU 144 N -4.23 0.57 -0.95 0.00 4.77 -0.62 -4.94 117.00 111.60 1pk9 n LEU 144 Ca -0.00 -0.01 -0.08 0.00 -0.03 0.00 0.00 56.01 55.89 1pk9 n LEU 144 Cb 0.30 -0.23 -0.00 0.00 -2.33 0.00 0.00 43.42 41.16 1pk9 n LEU 144 CO 0.39 0.12 -0.09 0.61 -1.33 0.00 0.00 177.39 177.09 1pk9 n GLY 145 N 1.42 0.06 3.50 -0.72 0.00 -0.06 -5.03 105.19 104.36 1pk9 n GLY 145 Ca 0.09 -0.54 -0.34 0.00 0.00 0.00 0.00 46.02 45.24 1pk9 n GLY 145 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pk9 s ILE 146 N -2.44 3.75 0.56 -0.61 1.01 -0.17 -5.02 121.20 118.27 1pk9 s ILE 146 Ca 0.01 -0.42 -0.18 0.00 0.00 0.00 0.00 60.65 60.07 1pk9 s ILE 146 Cb -0.01 -2.61 -0.05 0.00 0.01 0.00 0.00 42.46 39.80 1pk9 s ILE 146 CO 0.01 0.52 1.06 -1.81 0.00 0.00 0.00 174.94 174.73 1pk9 s ASP 147 N 0.10 5.91 -0.29 3.58 1.01 -1.26 -4.32 116.67 121.40 1pk9 s ASP 147 Ca -0.02 1.90 -0.16 0.00 0.71 0.00 0.00 52.55 54.99 1pk9 s ASP 147 Cb -0.14 -2.55 0.11 0.00 1.01 0.00 0.00 42.92 41.36 1pk9 s ASP 147 CO 0.03 -1.08 0.83 0.00 0.21 0.00 0.00 175.17 175.16 1pk9 s ALA 148 N -2.22 -2.09 0.01 5.23 0.00 -1.26 -4.31 121.76 117.12 1pk9 s ALA 148 Ca 0.66 2.31 -0.09 0.00 0.00 0.00 0.00 51.96 54.84 1pk9 s ALA 148 Cb -0.17 -1.58 -0.05 0.00 0.00 0.00 0.00 23.12 21.31 1pk9 s ALA 148 CO 0.31 -0.38 0.32 1.03 0.00 0.00 0.00 175.76 177.03 1pk9 s ARG 149 N 1.53 3.69 -0.16 0.00 0.52 -0.91 -4.94 118.95 118.67 1pk9 s ARG 149 Ca -0.09 0.09 -0.02 0.00 -0.52 0.00 0.00 55.73 55.19 1pk9 s ARG 149 Cb -0.04 -3.10 -0.02 0.00 0.52 0.00 0.00 34.95 32.31 1pk9 s ARG 149 CO -0.17 0.65 -0.07 0.08 0.02 0.00 0.00 175.30 175.81 1pk9 s VAL 150 N -1.24 3.49 0.00 3.52 1.01 -1.26 -0.25 120.40 125.67 1pk9 s VAL 150 Ca 0.27 -0.49 0.00 0.00 0.00 0.00 0.00 61.98 61.75 1pk9 s VAL 150 Cb -0.14 -2.52 0.00 0.00 0.00 0.00 0.00 36.38 33.72 1pk9 s VAL 150 CO 0.14 0.49 0.00 0.61 0.00 0.00 0.00 175.10 176.34 1pk9 n GLY 151 N 3.80 0.93 3.83 4.51 0.00 -0.50 -4.94 105.19 112.82 1pk9 n GLY 151 Ca -0.18 -0.36 -0.37 0.00 0.00 0.00 0.00 46.02 45.11 1pk9 n GLY 151 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1pk9 s ASN 152 N 2.00 6.89 0.38 1.61 0.01 -1.26 -0.80 114.94 123.77 1pk9 s ASN 152 Ca 0.00 1.08 0.08 0.00 -0.71 0.00 0.00 52.86 53.31 1pk9 s ASN 152 Cb 0.00 -2.29 -0.04 0.00 0.41 0.00 0.00 41.25 39.33 1pk9 s ASN 152 CO 0.00 0.25 0.19 -0.76 -1.51 0.00 0.00 177.10 175.27 1pk9 s LEU 153 N -1.33 3.21 -0.14 0.60 1.43 -0.65 -0.93 118.68 120.87 1pk9 s LEU 153 Ca 0.29 -0.91 -0.00 0.00 -1.03 0.00 0.00 54.13 52.48 1pk9 s LEU 153 Cb -0.17 -1.65 0.03 0.00 0.03 0.00 0.00 46.19 44.43 1pk9 s LEU 153 CO 0.17 -0.45 -0.10 0.12 0.23 0.00 0.00 176.35 176.32 1pk9 s PHE 154 N -2.51 1.84 -0.44 0.29 5.36 -0.66 -0.01 117.98 121.84 1pk9 s PHE 154 Ca 0.41 -1.04 -0.18 0.00 -0.96 0.00 0.00 56.93 55.15 1pk9 s PHE 154 Cb 0.00 -1.41 0.03 0.00 -0.34 0.00 0.00 43.02 41.31 1pk9 s PHE 154 CO 0.23 -0.61 0.52 -1.12 -1.46 0.00 0.00 175.22 172.78 1pk9 s SER 155 N 1.59 6.23 0.11 6.13 0.01 0.83 -1.45 113.70 127.15 1pk9 s SER 155 Ca 0.04 -0.68 -0.07 0.00 1.31 0.00 0.00 55.95 56.55 1pk9 s SER 155 Cb -0.13 -2.26 -0.06 0.00 0.21 0.00 0.00 66.02 63.78 1pk9 s SER 155 CO -0.09 -0.69 0.38 0.00 0.41 0.00 0.00 173.24 173.25 1pk9 s ALA 156 N 2.36 3.76 -0.03 1.44 0.00 0.13 -3.31 121.76 126.11 1pk9 s ALA 156 Ca 0.15 -0.49 0.05 0.00 0.00 0.00 0.00 51.96 51.67 1pk9 s ALA 156 Cb -0.17 -2.18 -0.24 0.00 0.00 0.00 0.00 23.12 20.52 1pk9 s ALA 156 CO 0.14 0.63 0.70 -0.44 0.00 0.00 0.00 175.76 176.79 1pk9 h ASP 157 N 3.22 0.16 -3.66 0.00 5.19 -1.90 -3.41 116.42 116.02 1pk9 h ASP 157 Ca -0.47 -0.29 -0.69 0.00 -0.62 0.00 0.00 57.03 54.96 1pk9 h ASP 157 Cb 1.18 -0.05 -0.32 0.00 0.18 0.00 0.00 39.33 40.32 1pk9 h ASP 157 CO 0.70 1.25 -0.63 -0.76 -3.12 0.00 0.00 179.24 176.68 1pk9 s LEU 158 N -6.50 4.39 0.25 1.55 1.43 -1.26 -4.95 118.68 113.58 1pk9 s LEU 158 Ca -0.08 -1.41 -0.06 0.00 -1.03 0.00 0.00 54.13 51.55 1pk9 s LEU 158 Cb 0.08 -1.80 0.26 0.00 0.03 0.00 0.00 46.19 44.76 1pk9 s LEU 158 CO 0.82 -0.36 1.92 0.15 0.23 0.00 0.00 176.35 179.11 1pk9 h PHE 159 N 8.10 1.23 -3.71 0.29 3.04 -1.98 -3.18 116.94 120.73 1pk9 h PHE 159 Ca -0.20 0.03 -0.79 0.00 3.98 0.00 0.00 57.97 60.99 1pk9 h PHE 159 Cb 1.07 -0.41 -0.27 0.00 2.56 0.00 0.00 35.95 38.89 1pk9 h PHE 159 CO 0.60 0.76 0.20 0.71 -2.02 0.00 0.00 178.31 178.56 1pk9 s TYR 160 N -6.11 3.94 0.19 0.41 2.02 -1.26 -5.05 117.35 111.49 1pk9 s TYR 160 Ca -0.13 -2.32 -0.30 0.00 -0.37 0.00 0.00 57.07 53.95 1pk9 s TYR 160 Cb 0.18 -3.78 -0.09 0.00 -0.40 0.00 0.00 41.96 37.87 1pk9 s TYR 160 CO 0.82 -0.96 1.29 0.45 -1.57 0.00 0.00 175.55 175.58 1pk9 s SER 161 N 1.71 6.92 0.55 2.29 0.15 -1.20 -4.94 113.70 119.17 1pk9 s SER 161 Ca 0.23 2.37 0.32 0.00 0.70 0.00 0.00 55.95 59.57 1pk9 s SER 161 Cb -0.10 -2.61 1.51 0.00 -1.71 0.00 0.00 66.02 63.10 1pk9 s SER 161 CO -0.09 -0.51 2.05 -0.65 1.20 0.00 0.00 173.24 175.25 1pk9 h PRO 162 N 5.41 0.00 -3.44 5.44 0.11 -1.96 -3.40 132.00 134.15 1pk9 h PRO 162 Ca -0.45 0.00 -0.51 0.00 0.11 0.00 0.00 66.00 65.15 1pk9 h PRO 162 Cb 1.21 0.00 -0.40 0.00 0.11 0.00 0.00 31.00 31.92 1pk9 h PRO 162 CO 0.77 0.07 -0.76 0.16 -0.21 0.00 0.00 178.00 178.03 1pk9 s ASP 163 N -5.80 2.91 0.12 -2.05 -4.77 -1.26 -4.99 116.67 100.83 1pk9 s ASP 163 Ca -0.01 -0.85 0.23 0.00 -3.30 0.00 0.00 52.55 48.61 1pk9 s ASP 163 Cb 0.11 -0.55 0.89 0.00 -1.09 0.00 0.00 42.92 42.29 1pk9 s ASP 163 CO 0.55 -0.32 1.70 0.61 0.70 0.00 0.00 175.17 178.40 1pk9 n GLY 164 N 5.08 -1.33 0.25 2.12 0.00 -1.26 -2.96 105.19 107.10 1pk9 n GLY 164 Ca -0.08 -0.01 0.09 0.00 0.00 0.00 0.00 46.02 46.02 1pk9 n GLY 164 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1pk9 h GLU 165 N 0.00 0.00 0.00 1.61 4.22 -1.98 -0.67 114.58 117.76 1pk9 h GLU 165 Ca 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 59.36 59.43 1pk9 h GLU 165 Cb 0.43 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.68 1pk9 h GLU 165 CO 0.00 0.09 -0.05 1.98 -2.18 0.00 0.00 179.01 178.85 1pk9 h MET 166 N 0.00 0.00 -0.13 1.92 4.05 -1.98 -0.97 114.93 117.82 1pk9 h MET 166 Ca -0.00 0.00 -0.06 0.00 -0.28 0.00 0.00 59.70 59.36 1pk9 h MET 166 Cb 0.19 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 30.98 1pk9 h MET 166 CO 0.01 0.05 -0.20 0.74 0.23 0.00 0.00 176.91 177.74 1pk9 h PHE 167 N 0.00 0.22 -0.42 1.39 0.05 -1.34 -0.57 116.94 116.28 1pk9 h PHE 167 Ca -0.00 -0.03 -0.11 0.00 3.82 0.00 0.00 57.97 61.65 1pk9 h PHE 167 Cb 0.15 -0.06 -0.02 0.00 2.00 0.00 0.00 35.95 38.02 1pk9 h PHE 167 CO 0.00 0.40 -0.19 -0.44 -0.18 0.00 0.00 178.31 177.91 1pk9 h ASP 168 N 0.20 0.82 -0.30 2.17 3.45 -1.29 -0.89 116.42 120.58 1pk9 h ASP 168 Ca 0.04 -0.28 -0.10 0.00 0.43 0.00 0.00 57.03 57.11 1pk9 h ASP 168 Cb 0.47 -0.22 -0.01 0.00 -0.56 0.00 0.00 39.33 39.01 1pk9 h ASP 168 CO 0.03 0.99 -0.22 0.58 -1.57 0.00 0.00 179.24 179.05 1pk9 h VAL 169 N 0.71 1.30 -0.25 -1.35 2.07 -1.34 -0.79 116.25 116.60 1pk9 h VAL 169 Ca 0.10 -1.36 0.01 0.00 0.82 0.00 0.00 66.70 66.27 1pk9 h VAL 169 Cb 0.70 1.52 -0.02 0.00 -1.52 0.00 0.00 31.29 31.98 1pk9 h VAL 169 CO 0.05 0.44 0.14 0.24 0.02 0.00 0.00 177.57 178.46 1pk9 h MET 170 N 0.42 0.28 -0.19 1.57 2.86 -0.95 -1.99 114.93 116.93 1pk9 h MET 170 Ca 0.06 -0.02 0.01 0.00 -2.06 0.00 0.00 59.70 57.69 1pk9 h MET 170 Cb 0.77 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.36 1pk9 h MET 170 CO 0.06 0.19 0.11 1.49 1.06 0.00 0.00 176.91 179.82 1pk9 h GLU 171 N 0.29 0.23 -0.84 1.72 4.81 -1.08 -1.93 114.58 117.78 1pk9 h GLU 171 Ca 0.10 -0.01 0.12 0.00 -0.13 0.00 0.00 59.36 59.43 1pk9 h GLU 171 Cb 0.00 -0.05 -0.06 0.00 0.63 0.00 0.00 28.75 29.27 1pk9 h GLU 171 CO -0.05 0.15 0.55 -0.22 -0.73 0.00 0.00 179.01 178.70 1pk9 h LYS 172 N 0.23 0.70 -0.67 1.92 3.64 -0.87 -0.49 116.57 121.04 1pk9 h LYS 172 Ca 0.07 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1pk9 h LYS 172 Cb -0.01 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 31.65 1pk9 h LYS 172 CO -0.03 0.46 0.00 0.66 -2.27 0.00 0.00 179.45 178.27 1pk9 n TYR 173 N -4.53 1.17 -2.43 1.91 4.01 -0.77 -4.94 117.16 111.58 1pk9 n TYR 173 Ca 0.15 -0.43 -0.16 0.00 -0.16 0.00 0.00 57.90 57.30 1pk9 n TYR 173 Cb 0.39 -0.28 0.00 0.00 -0.31 0.00 0.00 39.34 39.14 1pk9 n TYR 173 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1pk9 n GLY 174 N 0.61 -0.29 3.70 2.72 0.00 -0.19 -4.97 105.19 106.77 1pk9 n GLY 174 Ca 0.17 -0.18 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1pk9 n GLY 174 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pk9 s ILE 175 N -2.86 2.88 0.11 -0.61 1.09 -0.77 -4.63 121.20 116.41 1pk9 s ILE 175 Ca 0.05 0.50 0.01 0.00 -1.10 0.00 0.00 60.65 60.11 1pk9 s ILE 175 Cb -0.02 -3.32 -0.22 0.00 -1.06 0.00 0.00 42.46 37.84 1pk9 s ILE 175 CO 0.06 0.02 1.25 -0.07 -0.10 0.00 0.00 174.94 176.10 1pk9 h LEU 176 N 7.71 0.24 -7.01 2.97 3.38 -1.39 -3.41 115.31 117.80 1pk9 h LEU 176 Ca -0.43 -0.24 -0.06 0.00 0.09 0.00 0.00 57.88 57.24 1pk9 h LEU 176 Cb 1.20 -0.08 -0.19 0.00 0.09 0.00 0.00 40.66 41.68 1pk9 h LEU 176 CO 0.92 1.15 0.18 -0.83 0.09 0.00 0.00 178.44 179.94 1pk9 s GLY 177 N -4.63 -0.57 -0.28 0.83 0.00 -1.26 -4.58 107.32 96.84 1pk9 s GLY 177 Ca -0.02 1.38 -0.08 0.00 0.00 0.00 0.00 44.72 46.00 1pk9 s GLY 177 CO 0.85 1.04 0.10 0.14 0.00 0.00 0.00 173.10 175.22 1pk9 s VAL 178 N -1.01 4.36 0.00 1.40 1.01 0.16 -1.65 120.40 124.66 1pk9 s VAL 178 Ca -0.10 -0.32 0.00 0.00 0.00 0.00 0.00 61.98 61.56 1pk9 s VAL 178 Cb -0.01 -3.13 0.00 0.00 0.00 0.00 0.00 36.38 33.25 1pk9 s VAL 178 CO 0.09 0.21 0.00 -1.84 0.00 0.00 0.00 175.10 173.56 1pk9 n GLU 179 N 4.93 0.87 -0.49 2.72 -0.00 -0.53 -1.02 120.64 127.13 1pk9 n GLU 179 Ca -0.15 0.00 0.03 0.00 -0.00 0.00 0.00 57.16 57.04 1pk9 n GLU 179 Cb 0.50 0.00 0.04 0.00 -0.00 0.00 0.00 31.44 31.98 1pk9 n GLU 179 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 1pk9 n MET 180 N 0.00 0.36 0.00 3.44 2.81 -1.26 -0.69 117.12 121.77 1pk9 n MET 180 Ca 0.00 -1.54 0.00 0.00 -1.81 0.00 0.00 57.70 54.35 1pk9 n MET 180 Cb 0.00 -0.73 0.00 0.00 -0.71 0.00 0.00 33.22 31.78 1pk9 n MET 180 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1pk9 n GLU 181 N -0.34 0.18 -0.33 0.03 4.71 -1.26 -2.15 120.64 121.49 1pk9 n GLU 181 Ca 0.05 0.00 -0.09 0.00 -0.01 0.00 0.00 57.16 57.11 1pk9 n GLU 181 Cb 0.72 -0.53 -0.08 0.00 -1.01 0.00 0.00 31.44 30.54 1pk9 n GLU 181 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1pk9 n ALA 182 N -0.90 -0.50 0.17 0.62 0.00 -1.26 -0.57 120.51 118.07 1pk9 n ALA 182 Ca 0.00 0.66 0.15 0.00 0.00 0.00 0.00 53.44 54.25 1pk9 n ALA 182 Cb 0.03 -0.05 0.73 0.00 0.00 0.00 0.00 19.45 20.16 1pk9 n ALA 182 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pk9 h ALA 183 N 0.28 2.05 -0.03 0.00 0.00 -1.83 -1.32 119.26 118.41 1pk9 h ALA 183 Ca 0.12 -0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.81 1pk9 h ALA 183 Cb 0.32 0.02 0.02 0.00 0.00 0.00 0.00 17.79 18.14 1pk9 h ALA 183 CO -0.73 -0.28 -0.82 0.78 0.00 0.00 0.00 179.25 178.20 1pk9 h GLY 184 N 0.00 0.68 1.06 0.00 0.00 -1.20 -2.32 103.07 101.29 1pk9 h GLY 184 Ca 0.10 -1.13 -0.09 0.00 0.00 0.00 0.00 47.33 46.21 1pk9 h GLY 184 CO -0.00 1.00 -0.02 -2.22 0.00 0.00 0.00 176.54 175.29 1pk9 h ILE 185 N 0.23 1.27 -0.58 2.60 2.04 -0.58 -1.79 117.51 120.70 1pk9 h ILE 185 Ca -0.09 -1.15 -0.08 0.00 1.00 0.00 0.00 64.86 64.54 1pk9 h ILE 185 Cb 1.48 0.90 -0.02 0.00 -0.74 0.00 0.00 36.82 38.44 1pk9 h ILE 185 CO 0.16 0.41 0.04 1.88 0.00 0.00 0.00 178.15 180.65 1pk9 h TYR 186 N 0.87 1.02 -0.65 1.37 0.99 -1.34 -0.07 116.97 119.17 1pk9 h TYR 186 Ca 0.15 -0.15 -0.08 0.00 2.00 0.00 0.00 58.73 60.65 1pk9 h TYR 186 Cb 0.57 -0.28 -0.03 0.00 1.00 0.00 0.00 36.73 38.00 1pk9 h TYR 186 CO 0.04 0.90 0.08 0.78 -0.00 0.00 0.00 178.16 179.96 1pk9 h GLY 187 N 1.01 1.17 0.97 3.88 0.00 -1.20 -2.34 103.07 106.56 1pk9 h GLY 187 Ca 0.17 -0.79 -0.09 0.00 0.00 0.00 0.00 47.33 46.62 1pk9 h GLY 187 CO 0.02 0.73 -0.14 -2.08 0.00 0.00 0.00 176.54 175.08 1pk9 h VAL 188 N 1.01 1.28 -0.81 4.60 2.07 -1.03 -1.53 116.25 121.84 1pk9 h VAL 188 Ca 0.20 -1.24 0.04 0.00 0.82 0.00 0.00 66.70 66.52 1pk9 h VAL 188 Cb 0.47 1.31 -0.05 0.00 -1.52 0.00 0.00 31.29 31.49 1pk9 h VAL 188 CO 0.02 0.41 0.51 0.00 0.02 0.00 0.00 177.57 178.53 1pk9 h ALA 189 N 0.81 1.08 -0.24 1.67 0.00 -0.87 -0.34 119.26 121.36 1pk9 h ALA 189 Ca 0.09 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.82 1pk9 h ALA 189 Cb 0.67 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1pk9 h ALA 189 CO 0.05 0.31 -0.44 0.00 0.00 0.00 0.00 179.25 179.16 1pk9 h ALA 190 N 1.35 0.38 -0.36 0.00 0.00 -1.36 0.11 119.26 119.38 1pk9 h ALA 190 Ca 0.33 -0.47 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 1pk9 h ALA 190 Cb 0.05 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1pk9 h ALA 190 CO -0.13 0.52 0.04 1.49 0.00 0.00 0.00 179.25 181.17 1pk9 h GLU 191 N 0.46 0.61 -0.35 0.00 4.81 -0.93 -3.26 114.58 115.92 1pk9 h GLU 191 Ca 0.01 -0.18 0.00 0.00 -0.13 0.00 0.00 59.36 59.07 1pk9 h GLU 191 Cb 1.04 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.36 1pk9 h GLU 191 CO 0.10 0.70 0.00 1.19 -0.73 0.00 0.00 179.01 180.27 1pk9 n PHE 192 N -4.54 0.45 -2.30 0.92 3.01 -0.17 -5.01 117.46 109.83 1pk9 n PHE 192 Ca -0.01 -0.23 -0.04 0.00 1.01 0.00 0.00 57.45 58.18 1pk9 n PHE 192 Cb 0.24 0.00 0.02 0.00 -0.01 0.00 0.00 39.48 39.74 1pk9 n PHE 192 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1pk9 n GLY 193 N 1.44 0.26 2.33 1.37 0.00 -0.46 -4.93 105.19 105.20 1pk9 n GLY 193 Ca 0.19 -0.29 -0.16 0.00 0.00 0.00 0.00 46.02 45.76 1pk9 n GLY 193 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pk9 n ALA 194 N -1.82 0.47 -2.35 4.61 0.00 0.25 -5.04 120.51 116.63 1pk9 n ALA 194 Ca -0.07 -1.43 -0.30 0.00 0.00 0.00 0.00 53.44 51.64 1pk9 n ALA 194 Cb 0.54 1.07 -0.15 0.00 0.00 0.00 0.00 19.45 20.91 1pk9 n ALA 194 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1pk9 s LYS 195 N -3.03 1.84 0.07 0.00 1.02 -0.74 -4.45 119.74 114.44 1pk9 s LYS 195 Ca 0.22 -1.06 -0.05 0.00 0.02 0.00 0.00 55.97 55.09 1pk9 s LYS 195 Cb 0.01 -1.96 -0.02 0.00 -0.52 0.00 0.00 37.83 35.34 1pk9 s LYS 195 CO 0.16 0.51 0.10 0.00 -0.92 0.00 0.00 175.35 175.20 1pk9 s ALA 196 N -0.76 0.07 -0.15 5.17 0.00 -1.26 -1.36 121.76 123.47 1pk9 s ALA 196 Ca 0.11 -0.84 -0.18 0.00 0.00 0.00 0.00 51.96 51.05 1pk9 s ALA 196 Cb -0.10 0.38 0.05 0.00 0.00 0.00 0.00 23.12 23.45 1pk9 s ALA 196 CO 0.01 -0.44 0.48 -1.17 0.00 0.00 0.00 175.76 174.65 1pk9 s LEU 197 N -2.83 0.15 -0.14 0.00 2.96 -0.58 -1.88 118.68 116.37 1pk9 s LEU 197 Ca 0.05 0.85 0.02 0.00 -0.22 0.00 0.00 54.13 54.83 1pk9 s LEU 197 Cb 0.06 1.70 0.00 0.00 0.50 0.00 0.00 46.19 48.45 1pk9 s LEU 197 CO -0.10 -0.24 -0.19 -0.89 -1.32 0.00 0.00 176.35 173.60 1pk9 s THR 198 N -0.07 2.34 -0.06 3.68 2.01 -1.26 -0.21 115.64 122.07 1pk9 s THR 198 Ca -0.03 -0.89 0.05 0.00 0.31 0.00 0.00 61.69 61.13 1pk9 s THR 198 Cb -0.03 -1.95 -0.01 0.00 0.01 0.00 0.00 72.50 70.52 1pk9 s THR 198 CO 0.02 0.54 -0.23 -0.63 -0.69 0.00 0.00 174.62 173.63 1pk9 s ILE 199 N 0.69 1.91 0.10 1.82 1.01 0.07 -1.43 121.20 125.37 1pk9 s ILE 199 Ca -0.09 -0.98 0.05 0.00 0.00 0.00 0.00 60.65 59.63 1pk9 s ILE 199 Cb -0.16 -1.62 -0.04 0.00 0.01 0.00 0.00 42.46 40.65 1pk9 s ILE 199 CO 0.01 0.53 -0.12 0.00 0.00 0.00 0.00 174.94 175.37 1pk9 s THR 201 N -2.19 3.03 -0.17 0.00 2.01 -0.46 -0.86 115.64 117.00 1pk9 s THR 201 Ca 0.06 -0.65 -0.29 0.00 0.31 0.00 0.00 61.69 61.12 1pk9 s THR 201 Cb -0.04 -2.30 -0.05 0.00 0.01 0.00 0.00 72.50 70.12 1pk9 s THR 201 CO 0.01 0.50 1.88 -0.69 -0.69 0.00 0.00 174.62 175.64 1pk9 s VAL 202 N 0.71 3.33 -0.97 3.82 1.01 -0.55 -2.01 120.40 125.74 1pk9 s VAL 202 Ca -0.05 0.36 0.18 0.00 0.00 0.00 0.00 61.98 62.47 1pk9 s VAL 202 Cb -0.15 -3.34 -0.17 0.00 0.00 0.00 0.00 36.38 32.72 1pk9 s VAL 202 CO 0.02 -0.15 0.79 -1.54 0.00 0.00 0.00 175.10 174.22 1pk9 n SER 203 N 9.28 0.98 -3.53 3.32 3.41 -0.14 -0.11 113.62 126.82 1pk9 n SER 203 Ca 0.22 -0.99 -0.08 0.00 -0.26 0.00 0.00 58.87 57.76 1pk9 n SER 203 Cb 0.44 0.93 -0.02 0.00 -0.26 0.00 0.00 64.21 65.30 1pk9 n SER 203 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 1pk9 s ASP 204 N -2.62 -0.38 -0.17 4.04 1.47 -1.22 -1.87 116.67 115.92 1pk9 s ASP 204 Ca 0.08 -0.08 0.01 0.00 1.18 0.00 0.00 52.55 53.74 1pk9 s ASP 204 Cb 0.14 0.46 0.01 0.00 -0.34 0.00 0.00 42.92 43.19 1pk9 s ASP 204 CO 0.70 -0.76 -0.18 -2.28 0.68 0.00 0.00 175.17 173.33 1pk9 s HIS 205 N -3.31 2.77 0.42 2.11 2.46 -0.58 -1.38 115.29 117.79 1pk9 s HIS 205 Ca 0.05 -1.44 0.10 0.00 0.47 0.00 0.00 55.06 54.24 1pk9 s HIS 205 Cb -0.01 -1.91 0.89 0.00 -0.13 0.00 0.00 32.58 31.41 1pk9 s HIS 205 CO -0.08 -0.70 2.00 0.82 -2.47 0.00 0.00 174.74 174.31 1pk9 h ILE 206 N 5.86 1.12 0.03 0.89 2.04 -1.44 0.19 117.51 126.19 1pk9 h ILE 206 Ca -0.41 -0.44 -0.15 0.00 1.00 0.00 0.00 64.86 64.86 1pk9 h ILE 206 Cb 1.16 0.92 -0.01 0.00 -0.74 0.00 0.00 36.82 38.15 1pk9 h ILE 206 CO 0.61 0.15 -0.77 0.03 0.00 0.00 0.00 178.15 178.17 1pk9 h ARG 207 N 0.31 0.06 0.00 2.37 -0.00 -1.88 -3.38 114.38 111.86 1pk9 h ARG 207 Ca 0.07 -0.10 0.00 0.00 -0.50 0.00 0.00 59.98 59.45 1pk9 h ARG 207 Cb 0.16 0.04 0.00 0.00 0.00 0.00 0.00 29.97 30.17 1pk9 h ARG 207 CO -0.00 1.05 -0.25 1.79 0.00 0.00 0.00 179.97 182.56 1pk9 h THR 208 N -0.84 0.00 -0.10 2.04 1.35 -1.93 -3.47 112.91 109.97 1pk9 h THR 208 Ca -0.19 -0.93 -0.04 0.00 -0.55 0.00 0.00 66.41 64.69 1pk9 h THR 208 Cb 1.29 1.81 -0.02 0.00 -1.73 0.00 0.00 68.15 69.50 1pk9 h THR 208 CO -0.06 0.00 -0.04 1.41 -0.25 0.00 0.00 175.52 176.58 1pk9 n HIS 209 N -2.89 0.00 -2.08 4.73 8.25 0.65 -4.98 115.22 118.90 1pk9 n HIS 209 Ca 0.03 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.08 1pk9 n HIS 209 Cb 0.52 -1.09 -0.02 0.00 1.12 0.00 0.00 29.99 30.52 1pk9 n HIS 209 CO 0.00 0.00 0.00 -2.00 0.64 0.00 0.00 176.34 174.98 1pk9 s GLU 210 N -1.30 4.32 0.17 -0.41 2.12 -1.25 -4.80 118.70 117.55 1pk9 s GLU 210 Ca 0.00 2.23 0.06 0.00 0.36 0.00 0.00 54.97 57.62 1pk9 s GLU 210 Cb 0.00 -3.11 -0.04 0.00 0.26 0.00 0.00 34.13 31.24 1pk9 s GLU 210 CO 0.00 -0.31 -0.12 -0.65 -0.54 0.00 0.00 175.26 173.64 1pk9 s GLN 211 N -0.87 1.18 0.13 4.30 -1.52 -1.26 -1.52 119.66 120.10 1pk9 s GLN 211 Ca 0.55 -1.50 0.06 0.00 -1.95 0.00 0.00 55.36 52.52 1pk9 s GLN 211 Cb -0.40 -0.88 -0.04 0.00 -0.22 0.00 0.00 33.01 31.47 1pk9 s GLN 211 CO 0.46 0.14 -0.03 -0.08 -0.25 0.00 0.00 175.29 175.53 1pk9 s THR 212 N -3.07 3.74 0.61 -0.19 -1.32 -0.78 -4.99 115.64 109.64 1pk9 s THR 212 Ca 0.19 -1.23 -0.13 0.00 -1.21 0.00 0.00 61.69 59.32 1pk9 s THR 212 Cb 0.00 -2.81 -0.04 0.00 -1.51 0.00 0.00 72.50 68.15 1pk9 s THR 212 CO 0.04 0.03 1.03 0.42 -2.21 0.00 0.00 174.62 173.93 1pk9 s THR 213 N -1.44 4.44 0.26 5.08 -4.23 -1.26 -4.89 115.64 113.59 1pk9 s THR 213 Ca 0.25 0.90 -0.04 0.00 -1.18 0.00 0.00 61.69 61.62 1pk9 s THR 213 Cb -0.11 -3.69 0.26 0.00 1.34 0.00 0.00 72.50 70.30 1pk9 s THR 213 CO 0.17 -0.93 1.89 0.00 -0.54 0.00 0.00 174.62 175.21 1pk9 h ALA 214 N -0.09 1.33 -0.84 3.99 0.00 -1.99 -0.68 119.26 120.98 1pk9 h ALA 214 Ca -0.45 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.44 1pk9 h ALA 214 Cb 1.20 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 18.61 1pk9 h ALA 214 CO 0.60 0.49 0.55 0.00 0.00 0.00 0.00 179.25 180.89 1pk9 h ALA 215 N 1.42 1.08 -0.48 0.00 0.00 -1.99 -1.00 119.26 118.29 1pk9 h ALA 215 Ca 0.41 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.24 1pk9 h ALA 215 Cb 0.07 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 1pk9 h ALA 215 CO -0.14 0.45 0.21 0.93 0.00 0.00 0.00 179.25 180.69 1pk9 h GLU 216 N 1.12 0.70 -0.11 0.00 5.08 -1.55 -1.94 114.58 117.89 1pk9 h GLU 216 Ca 0.32 -0.12 -0.05 0.00 -1.00 0.00 0.00 59.36 58.51 1pk9 h GLU 216 Cb -0.09 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.03 1pk9 h GLU 216 CO -0.08 0.62 -0.17 0.00 -1.00 0.00 0.00 179.01 178.38 1pk9 h ARG 217 N 0.63 0.18 0.02 2.33 3.08 -0.61 -0.42 114.38 119.58 1pk9 h ARG 217 Ca 0.16 -0.04 -0.23 0.00 0.07 0.00 0.00 59.98 59.94 1pk9 h ARG 217 Cb 0.16 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.19 1pk9 h ARG 217 CO -0.02 0.35 -0.98 0.37 -1.07 0.00 0.00 179.97 178.63 1pk9 h GLN 218 N 0.17 0.40 0.00 0.04 4.15 -0.79 -3.41 115.11 115.66 1pk9 h GLN 218 Ca 0.03 -0.45 0.00 0.00 0.77 0.00 0.00 58.65 59.00 1pk9 h GLN 218 Cb 0.40 0.13 0.00 0.00 0.21 0.00 0.00 27.48 28.22 1pk9 h GLN 218 CO 0.03 1.12 -0.40 0.25 -1.93 0.00 0.00 178.83 177.90 1pk9 n THR 219 N -3.72 0.31 -0.49 2.39 -2.24 -0.76 -4.34 114.28 105.42 1pk9 n THR 219 Ca -0.07 -0.38 0.00 0.00 -2.27 0.00 0.00 64.05 61.34 1pk9 n THR 219 Cb 0.86 0.40 0.00 0.00 -2.10 0.00 0.00 70.33 69.49 1pk9 n THR 219 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1pk9 n THR 220 N -0.24 0.00 -2.24 4.28 -2.24 -0.17 -4.89 114.28 108.78 1pk9 n THR 220 Ca 0.03 -0.26 -0.42 0.00 -2.27 0.00 0.00 64.05 61.13 1pk9 n THR 220 Cb 0.68 1.49 0.00 0.00 -2.10 0.00 0.00 70.33 70.40 1pk9 n THR 220 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1pk9 n PHE 221 N -0.00 2.93 0.11 4.78 3.72 -1.25 -4.76 117.46 122.99 1pk9 n PHE 221 Ca 0.00 -2.81 -0.17 0.00 -0.05 0.00 0.00 57.45 54.43 1pk9 n PHE 221 Cb 0.12 -1.99 -0.14 0.00 -0.94 0.00 0.00 39.48 36.54 1pk9 n PHE 221 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 176.76 175.80 1pk9 h ASN 222 N 5.64 0.48 -0.41 4.37 2.35 -1.96 -3.37 115.58 122.67 1pk9 h ASN 222 Ca 0.44 -0.51 0.08 0.00 -0.55 0.00 0.00 56.30 55.77 1pk9 h ASN 222 Cb 0.59 -0.16 -0.07 0.00 0.05 0.00 0.00 38.32 38.74 1pk9 h ASN 222 CO 1.64 1.39 -0.04 0.44 -1.65 0.00 0.00 177.43 179.21 1pk9 h ASP 223 N 0.09 -0.26 -0.15 5.81 3.32 -1.98 -1.79 116.42 121.45 1pk9 h ASP 223 Ca -0.15 0.11 -0.04 0.00 0.02 0.00 0.00 57.03 56.98 1pk9 h ASP 223 Cb 1.98 0.21 -0.01 0.00 0.22 0.00 0.00 39.33 41.72 1pk9 h ASP 223 CO 0.21 -0.09 0.00 0.00 -1.72 0.00 0.00 179.24 177.64 1pk9 h MET 224 N 0.06 0.38 -0.47 3.56 -0.00 -1.96 -2.03 114.93 114.46 1pk9 h MET 224 Ca 0.20 -0.07 -0.13 0.00 -0.00 0.00 0.00 59.70 59.70 1pk9 h MET 224 Cb 0.30 -0.06 -0.01 0.00 -0.00 0.00 0.00 31.60 31.83 1pk9 h MET 224 CO -0.38 0.41 -0.23 0.82 -0.00 0.00 0.00 176.91 177.52 1pk9 h ILE 225 N 0.37 1.27 -0.51 -0.10 2.04 -1.54 -0.76 117.51 118.28 1pk9 h ILE 225 Ca 0.08 -1.40 -0.04 0.00 1.00 0.00 0.00 64.86 64.50 1pk9 h ILE 225 Cb 0.25 1.16 -0.02 0.00 -0.74 0.00 0.00 36.82 37.47 1pk9 h ILE 225 CO 0.01 0.48 0.15 0.11 0.00 0.00 0.00 178.15 178.90 1pk9 h LYS 226 N 0.83 0.80 -0.34 2.37 1.79 -0.90 -1.30 116.57 119.82 1pk9 h LYS 226 Ca 0.10 -0.18 -0.04 0.00 -2.18 0.00 0.00 60.65 58.36 1pk9 h LYS 226 Cb 0.82 -0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 31.34 1pk9 h LYS 226 CO 0.07 0.75 0.07 0.82 -1.08 0.00 0.00 179.45 180.08 1pk9 h ILE 227 N 0.70 1.23 0.49 1.86 2.04 -1.27 -1.24 117.51 121.31 1pk9 h ILE 227 Ca 0.16 -0.78 -0.02 0.00 1.00 0.00 0.00 64.86 65.23 1pk9 h ILE 227 Cb 0.29 1.09 -0.01 0.00 -0.74 0.00 0.00 36.82 37.44 1pk9 h ILE 227 CO -0.00 0.26 -0.34 0.00 0.00 0.00 0.00 178.15 178.07 1pk9 h ALA 228 N 0.91 -0.82 -0.61 1.87 0.00 -0.98 0.34 119.26 119.97 1pk9 h ALA 228 Ca 0.11 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.87 1pk9 h ALA 228 Cb 0.32 0.44 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 1pk9 h ALA 228 CO 0.00 -0.98 0.40 -0.07 0.00 0.00 0.00 179.25 178.60 1pk9 h LEU 229 N -0.81 0.68 -1.03 0.00 3.38 -1.23 -2.31 115.31 113.99 1pk9 h LEU 229 Ca -0.05 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.81 1pk9 h LEU 229 Cb 0.68 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 1pk9 h LEU 229 CO 0.03 0.49 -0.46 -0.33 0.09 0.00 0.00 178.44 178.25 1pk9 h GLU 230 N 0.81 0.00 0.00 1.13 4.39 -1.17 -2.79 114.58 116.95 1pk9 h GLU 230 Ca 0.23 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.85 1pk9 h GLU 230 Cb -0.08 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.56 1pk9 h GLU 230 CO -0.06 0.46 -0.38 0.66 -1.16 0.00 0.00 179.01 178.53 1pk9 h SER 231 N 0.00 0.00 -0.24 1.42 4.64 -0.38 -2.55 113.55 116.43 1pk9 h SER 231 Ca -0.00 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.25 1pk9 h SER 231 Cb 0.86 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.94 1pk9 h SER 231 CO 0.06 0.38 -0.11 0.58 -0.87 0.00 0.00 176.83 176.88 1pk9 h VAL 232 N 0.00 1.30 -0.85 0.95 2.07 -1.18 -1.87 116.25 116.67 1pk9 h VAL 232 Ca -0.00 -1.17 0.03 0.00 0.82 0.00 0.00 66.70 66.38 1pk9 h VAL 232 Cb 0.72 1.55 -0.05 0.00 -1.52 0.00 0.00 31.29 32.00 1pk9 h VAL 232 CO 0.05 0.36 0.55 -0.07 0.02 0.00 0.00 177.57 178.48 1pk9 h LEU 233 N 0.22 0.91 -0.86 2.57 3.38 -1.47 -0.60 115.31 119.46 1pk9 h LEU 233 Ca 0.06 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.03 1pk9 h LEU 233 Cb 0.60 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.10 1pk9 h LEU 233 CO 0.03 0.63 0.57 -0.07 0.09 0.00 0.00 178.44 179.69 1pk9 h LEU 234 N 1.07 1.00 -1.01 1.67 4.07 -1.34 -2.18 115.31 118.59 1pk9 h LEU 234 Ca 0.34 -0.03 -0.07 0.00 0.08 0.00 0.00 57.88 58.19 1pk9 h LEU 234 Cb 0.00 -0.25 -0.02 0.00 1.08 0.00 0.00 40.66 41.47 1pk9 h LEU 234 CO -0.11 0.73 -0.09 1.23 -1.08 0.00 0.00 178.44 179.11 1pk9 h GLY 235 N 1.17 0.66 2.00 0.83 0.00 -0.33 -2.66 103.07 104.73 1pk9 h GLY 235 Ca 0.32 -0.46 -0.04 0.00 0.00 0.00 0.00 47.33 47.15 1pk9 h GLY 235 CO -0.07 0.42 -0.19 -0.55 0.00 0.00 0.00 176.54 176.15 1pk9 h ASP 236 N 0.57 0.00 -0.01 0.19 3.32 -0.52 -3.51 116.42 116.46 1pk9 h ASP 236 Ca 0.11 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.15 1pk9 h ASP 236 Cb 0.50 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.04 1pk9 h ASP 236 CO 0.03 0.19 0.00 0.29 -1.72 0.00 0.00 179.24 178.03