#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 0.58 -0.75 0.00 -4.23 -0.40 -4.99 115.64 105.85 1pk9 s THR 2 Ca 0.00 -2.00 0.19 0.00 -1.18 0.00 0.00 61.69 58.70 1pk9 s THR 2 Cb 0.00 -2.22 0.18 0.00 1.34 0.00 0.00 72.50 71.80 1pk9 s THR 2 CO 0.00 0.00 1.58 -2.65 -0.54 0.00 0.00 174.62 173.01 1pk9 n PRO 3 N -1.03 0.09 -0.00 3.99 -0.02 -1.26 -3.20 135.00 133.57 1pk9 n PRO 3 Ca -0.09 0.34 0.04 0.00 -2.02 0.00 0.00 63.50 61.77 1pk9 n PRO 3 Cb 0.65 -1.68 -0.06 0.00 -0.02 0.00 0.00 33.50 32.39 1pk9 n PRO 3 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1pk9 n HIS 4 N -1.86 0.00 -3.71 6.00 8.25 -1.26 -4.94 115.22 117.70 1pk9 n HIS 4 Ca 0.03 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.23 1pk9 n HIS 4 Cb 0.20 -0.12 -0.17 0.00 1.12 0.00 0.00 29.99 31.01 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 -2.30 0.34 -1.25 1.59 1.01 -1.20 -4.63 121.20 114.76 1pk9 s ILE 5 Ca -0.01 -0.32 -0.09 0.00 0.00 0.00 0.00 60.65 60.23 1pk9 s ILE 5 Cb 0.06 -0.81 0.19 0.00 0.01 0.00 0.00 42.46 41.90 1pk9 s ILE 5 CO 0.35 -0.13 1.79 -3.20 0.00 0.00 0.00 174.94 173.74 1pk9 n ASN 6 N 5.13 5.28 -3.35 3.58 5.15 -1.26 -1.28 115.26 128.51 1pk9 n ASN 6 Ca -0.08 -3.14 -0.16 0.00 -0.60 0.00 0.00 54.58 50.60 1pk9 n ASN 6 Cb 0.48 -1.46 -0.06 0.00 -0.53 0.00 0.00 39.78 38.22 1pk9 n ASN 6 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1pk9 s ALA 7 N 0.03 1.17 0.17 5.20 0.00 -1.26 -4.69 121.76 122.38 1pk9 s ALA 7 Ca 0.39 -1.72 0.05 0.00 0.00 0.00 0.00 51.96 50.67 1pk9 s ALA 7 Cb 0.08 1.28 -0.05 0.00 0.00 0.00 0.00 23.12 24.44 1pk9 s ALA 7 CO 0.02 -0.74 -0.09 -1.21 0.00 0.00 0.00 175.76 173.74 1pk9 s GLU 8 N -3.27 1.14 0.11 0.00 0.41 -1.26 -1.78 118.70 114.05 1pk9 s GLU 8 Ca 0.35 -1.51 -0.35 0.00 -0.41 0.00 0.00 54.97 53.05 1pk9 s GLU 8 Cb 0.01 -0.67 -0.15 0.00 -1.78 0.00 0.00 34.13 31.53 1pk9 s GLU 8 CO 0.22 0.06 1.48 -0.12 -0.49 0.00 0.00 175.26 176.41 1pk9 n MET 9 N -0.26 1.67 0.00 1.61 0.00 -1.26 -1.11 117.12 117.77 1pk9 n MET 9 Ca -0.09 0.60 0.00 0.00 -0.00 0.00 0.00 57.70 58.21 1pk9 n MET 9 Cb 0.61 -2.31 0.00 0.00 0.00 0.00 0.00 33.22 31.52 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 3.05 1.78 0.25 -5.12 0.00 -1.26 -4.93 105.19 98.95 1pk9 n GLY 10 Ca 0.18 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.30 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 0.94 0.00 -3.39 1.61 3.32 -1.49 -3.43 116.42 113.98 1pk9 h ASP 11 Ca 0.00 0.00 -0.65 0.00 0.02 0.00 0.00 57.03 56.40 1pk9 h ASP 11 Cb 0.00 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 39.42 1pk9 h ASP 11 CO 0.00 0.14 -0.69 -0.36 -1.72 0.00 0.00 179.24 176.60 1pk9 s PHE 12 N -4.41 2.87 0.89 4.55 0.40 -1.26 -4.76 117.98 116.26 1pk9 s PHE 12 Ca -0.03 -0.09 -0.13 0.00 -0.60 0.00 0.00 56.93 56.08 1pk9 s PHE 12 Cb 0.14 -1.48 0.13 0.00 0.51 0.00 0.00 43.02 42.32 1pk9 s PHE 12 CO 0.63 0.46 1.17 0.00 0.70 0.00 0.00 175.22 178.18 1pk9 s ALA 13 N -1.32 2.10 -2.04 5.36 0.00 -1.26 -4.93 121.76 119.67 1pk9 s ALA 13 Ca 0.24 -0.65 0.14 0.00 0.00 0.00 0.00 51.96 51.69 1pk9 s ALA 13 Cb -0.11 -2.98 0.77 0.00 0.00 0.00 0.00 23.12 20.80 1pk9 s ALA 13 CO 0.17 -2.12 1.51 -0.40 0.00 0.00 0.00 175.76 174.91 1pk9 n ASP 14 N -3.64 0.32 -3.84 0.00 3.85 -1.26 -4.63 116.55 107.36 1pk9 n ASP 14 Ca 0.08 -1.62 -0.21 0.00 -0.71 0.00 0.00 54.79 52.33 1pk9 n ASP 14 Cb 0.60 -0.03 -0.17 0.00 -1.35 0.00 0.00 41.12 40.18 1pk9 n ASP 14 CO 0.00 0.00 0.00 -0.69 -1.01 0.00 0.00 177.20 175.50 1pk9 s VAL 15 N -1.95 0.42 -0.09 2.12 1.01 -1.26 -0.89 120.40 119.76 1pk9 s VAL 15 Ca 0.22 0.00 0.02 0.00 0.00 0.00 0.00 61.98 62.22 1pk9 s VAL 15 Cb 0.10 -0.51 0.01 0.00 0.00 0.00 0.00 36.38 35.99 1pk9 s VAL 15 CO 0.17 0.23 -0.13 -0.69 0.00 0.00 0.00 175.10 174.67 1pk9 s VAL 16 N 1.33 1.32 0.02 2.92 1.01 -0.70 -2.27 120.40 124.03 1pk9 s VAL 16 Ca -0.05 -0.55 -0.18 0.00 0.00 0.00 0.00 61.98 61.20 1pk9 s VAL 16 Cb -0.13 -1.22 -0.06 0.00 0.00 0.00 0.00 36.38 34.97 1pk9 s VAL 16 CO -0.02 0.40 0.52 -0.76 0.00 0.00 0.00 175.10 175.24 1pk9 s LEU 17 N 0.92 4.46 -0.16 3.92 1.43 0.20 -1.56 118.68 127.90 1pk9 s LEU 17 Ca -0.09 1.11 -0.02 0.00 -1.03 0.00 0.00 54.13 54.10 1pk9 s LEU 17 Cb -0.15 -2.79 0.05 0.00 0.03 0.00 0.00 46.19 43.33 1pk9 s LEU 17 CO 0.00 0.22 0.02 -0.04 0.23 0.00 0.00 176.35 176.78 1pk9 s MET 18 N -0.73 0.75 0.37 1.70 -1.94 0.67 -1.83 119.30 118.30 1pk9 s MET 18 Ca 0.28 -0.31 0.00 0.00 -1.71 0.00 0.00 55.69 53.95 1pk9 s MET 18 Cb -0.18 -1.83 -0.03 0.00 2.01 0.00 0.00 34.83 34.81 1pk9 s MET 18 CO 0.16 -0.53 0.58 -1.25 -0.01 0.00 0.00 175.02 173.97 1pk9 s PRO 19 N 1.85 3.39 0.16 2.03 0.04 -1.25 -1.07 135.00 140.15 1pk9 s PRO 19 Ca 0.01 -0.37 -0.06 0.00 0.04 0.00 0.00 61.00 60.62 1pk9 s PRO 19 Cb -0.16 -2.64 0.01 0.00 0.04 0.00 0.00 34.50 31.76 1pk9 s PRO 19 CO -0.07 0.05 1.42 0.78 0.04 0.00 0.00 177.00 179.21 1pk9 h GLY 20 N 0.66 0.65 -6.04 0.56 0.00 -1.85 -1.86 103.07 95.19 1pk9 h GLY 20 Ca -0.49 -0.85 -0.60 0.00 0.00 0.00 0.00 47.33 45.40 1pk9 h GLY 20 CO 0.60 0.76 0.48 -0.35 0.00 0.00 0.00 176.54 178.03 1pk9 s ASP 21 N -6.99 6.75 0.54 0.19 3.68 -1.26 -2.07 116.67 117.51 1pk9 s ASP 21 Ca -0.08 0.83 0.22 0.00 2.13 0.00 0.00 52.55 55.65 1pk9 s ASP 21 Cb 0.10 -2.43 1.43 0.00 -1.45 0.00 0.00 42.92 40.57 1pk9 s ASP 21 CO 0.86 -0.62 2.12 1.55 0.13 0.00 0.00 175.17 179.21 1pk9 h PRO 22 N 7.98 0.00 0.00 4.34 0.13 -1.88 0.10 132.00 142.66 1pk9 h PRO 22 Ca -0.23 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.85 1pk9 h PRO 22 Cb 1.09 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.21 1pk9 h PRO 22 CO 0.90 0.00 -0.22 -0.07 -0.23 0.00 0.00 178.00 178.38 1pk9 h LEU 23 N 0.00 0.00 -0.45 1.56 3.38 -1.92 -2.42 115.31 115.45 1pk9 h LEU 23 Ca 0.07 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.93 1pk9 h LEU 23 Cb 0.30 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 1pk9 h LEU 23 CO -0.00 0.22 -0.51 -0.09 0.09 0.00 0.00 178.44 178.15 1pk9 h ARG 24 N 0.00 0.00 -0.53 1.13 9.65 -1.20 -2.68 114.38 120.75 1pk9 h ARG 24 Ca -0.00 0.00 -0.12 0.00 -1.10 0.00 0.00 59.98 58.76 1pk9 h ARG 24 Cb 0.75 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.32 1pk9 h ARG 24 CO 0.03 0.51 -0.14 0.00 2.80 0.00 0.00 179.97 183.17 1pk9 h ALA 25 N 1.49 0.72 -0.38 2.80 0.00 -1.23 -0.97 119.26 121.70 1pk9 h ALA 25 Ca -0.01 -0.36 -0.13 0.00 0.00 0.00 0.00 54.91 54.41 1pk9 h ALA 25 Cb 1.20 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 1pk9 h ALA 25 CO 0.07 0.66 -0.28 -0.22 0.00 0.00 0.00 179.25 179.48 1pk9 h LYS 26 N 0.89 0.80 -0.58 0.00 3.11 -1.49 -1.47 116.57 117.82 1pk9 h LYS 26 Ca 0.13 -0.35 -0.01 0.00 -2.81 0.00 0.00 60.65 57.61 1pk9 h LYS 26 Cb 0.71 -0.02 -0.03 0.00 -1.00 0.00 0.00 32.23 31.89 1pk9 h LYS 26 CO 0.05 0.98 0.33 -0.92 -2.81 0.00 0.00 179.45 177.08 1pk9 h TYR 27 N 0.68 0.79 -0.39 1.91 5.03 -1.23 -1.12 116.97 122.63 1pk9 h TYR 27 Ca 0.08 -0.01 -0.07 0.00 2.58 0.00 0.00 58.73 61.30 1pk9 h TYR 27 Cb 0.81 -0.25 -0.01 0.00 1.55 0.00 0.00 36.73 38.82 1pk9 h TYR 27 CO 0.04 0.56 -0.04 0.82 -1.32 0.00 0.00 178.16 178.22 1pk9 h ILE 28 N 0.78 1.27 -0.40 1.81 2.04 -0.98 -1.45 117.51 120.58 1pk9 h ILE 28 Ca 0.21 -1.09 -0.01 0.00 1.00 0.00 0.00 64.86 64.96 1pk9 h ILE 28 Cb 0.02 1.19 -0.02 0.00 -0.74 0.00 0.00 36.82 37.27 1pk9 h ILE 28 CO -0.04 0.37 0.20 0.00 0.00 0.00 0.00 178.15 178.68 1pk9 h ALA 29 N 0.86 0.52 -0.56 1.87 0.00 -1.10 -1.13 119.26 119.71 1pk9 h ALA 29 Ca 0.11 -0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 1pk9 h ALA 29 Cb 0.54 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1pk9 h ALA 29 CO 0.03 0.07 -0.01 1.49 0.00 0.00 0.00 179.25 180.83 1pk9 h GLU 30 N 0.51 0.98 0.24 0.00 4.57 -1.16 -2.21 114.58 117.50 1pk9 h GLU 30 Ca 0.14 -0.30 -0.34 0.00 -1.18 0.00 0.00 59.36 57.68 1pk9 h GLU 30 Cb 0.10 -0.09 0.03 0.00 -0.16 0.00 0.00 28.75 28.63 1pk9 h GLU 30 CO -0.02 0.97 -1.53 1.15 -1.18 0.00 0.00 179.01 178.40 1pk9 h THR 31 N 0.89 1.22 0.00 0.32 2.02 -1.15 -3.42 112.91 112.80 1pk9 h THR 31 Ca 0.16 -2.68 0.00 0.00 0.77 0.00 0.00 66.41 64.66 1pk9 h THR 31 Cb 0.54 2.98 0.00 0.00 -1.74 0.00 0.00 68.15 69.93 1pk9 h THR 31 CO 0.03 0.82 -1.11 0.49 0.37 0.00 0.00 175.52 176.12 1pk9 n PHE 32 N -3.68 0.00 -3.90 3.16 3.01 -0.44 -5.04 117.46 110.57 1pk9 n PHE 32 Ca -0.18 0.00 -0.35 0.00 1.01 0.00 0.00 57.45 57.93 1pk9 n PHE 32 Cb 1.10 -0.12 -0.05 0.00 -0.01 0.00 0.00 39.48 40.39 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 -3.24 4.37 -0.02 4.37 1.43 -0.83 -4.71 118.68 120.06 1pk9 s LEU 33 Ca -0.01 0.40 -0.01 0.00 -1.03 0.00 0.00 54.13 53.48 1pk9 s LEU 33 Cb 0.04 -2.34 -0.04 0.00 0.03 0.00 0.00 46.19 43.89 1pk9 s LEU 33 CO 0.27 0.34 0.10 -1.61 0.23 0.00 0.00 176.35 175.68 1pk9 s GLU 34 N -1.49 3.16 -1.41 1.70 2.02 -0.07 -4.54 118.70 118.08 1pk9 s GLU 34 Ca 0.21 -0.43 -0.02 0.00 0.02 0.00 0.00 54.97 54.75 1pk9 s GLU 34 Cb -0.12 -2.93 0.02 0.00 0.10 0.00 0.00 34.13 31.20 1pk9 s GLU 34 CO 0.11 0.66 0.57 -0.25 0.02 0.00 0.00 175.26 176.37 1pk9 n ASP 35 N 1.21 -1.11 -4.86 -0.19 8.00 -1.26 -1.77 116.55 116.58 1pk9 n ASP 35 Ca -0.13 -0.94 -0.32 0.00 0.71 0.00 0.00 54.79 54.11 1pk9 n ASP 35 Cb 0.53 -3.38 -0.06 0.00 -0.02 0.00 0.00 41.12 38.19 1pk9 n ASP 35 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1pk9 s ALA 36 N -3.78 3.38 0.00 2.24 0.00 -1.26 -4.55 121.76 117.79 1pk9 s ALA 36 Ca 0.11 -0.05 0.01 0.00 0.00 0.00 0.00 51.96 52.02 1pk9 s ALA 36 Cb -0.06 -2.69 -0.01 0.00 0.00 0.00 0.00 23.12 20.37 1pk9 s ALA 36 CO 0.86 0.34 -0.03 -0.98 0.00 0.00 0.00 175.76 175.96 1pk9 s ARG 37 N -3.03 0.22 0.05 0.00 3.03 0.83 -4.93 118.95 115.13 1pk9 s ARG 37 Ca 0.52 -0.20 -0.31 0.00 2.03 0.00 0.00 55.73 57.77 1pk9 s ARG 37 Cb -0.10 -0.15 -0.06 0.00 -1.03 0.00 0.00 34.95 33.61 1pk9 s ARG 37 CO 0.19 0.04 1.29 -2.00 -1.13 0.00 0.00 175.30 173.69 1pk9 s GLU 38 N -0.36 4.36 0.00 3.89 2.12 -1.26 -1.12 118.70 126.33 1pk9 s GLU 38 Ca -0.02 1.89 0.05 0.00 0.36 0.00 0.00 54.97 57.25 1pk9 s GLU 38 Cb -0.03 -3.38 0.02 0.00 0.26 0.00 0.00 34.13 31.00 1pk9 s GLU 38 CO -0.00 -0.39 0.56 1.33 -0.54 0.00 0.00 175.26 176.22 1pk9 n VAL 39 N 4.14 0.00 -3.59 3.70 0.24 -0.10 -4.95 118.33 117.76 1pk9 n VAL 39 Ca 0.11 -0.48 -0.16 0.00 -2.04 0.00 0.00 64.34 61.77 1pk9 n VAL 39 Cb 0.45 1.08 -0.07 0.00 -1.47 0.00 0.00 33.84 33.83 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 -0.63 -0.64 0.00 -1.34 3.04 -1.22 -4.35 114.94 109.80 1pk9 s ASN 40 Ca 0.05 0.96 0.00 0.00 0.04 0.00 0.00 52.86 53.91 1pk9 s ASN 40 Cb 0.04 0.89 0.00 0.00 -1.54 0.00 0.00 41.25 40.64 1pk9 s ASN 40 CO 0.09 -0.43 0.00 -3.20 -3.04 0.00 0.00 177.10 170.52 1pk9 n ASN 41 N 1.74 0.00 -4.66 -4.21 2.85 -1.26 -2.45 115.26 107.26 1pk9 n ASN 41 Ca -0.17 -0.70 -0.46 0.00 -0.11 0.00 0.00 54.58 53.15 1pk9 n ASN 41 Cb 0.56 0.00 -0.04 0.00 1.24 0.00 0.00 39.78 41.55 1pk9 n ASN 41 CO 0.00 0.00 0.00 0.52 -2.11 0.00 0.00 177.26 175.67 1pk9 n VAL 42 N 0.00 0.38 -1.36 3.44 0.31 -1.26 -0.48 118.33 119.37 1pk9 n VAL 42 Ca 0.00 -0.10 -0.13 0.00 -0.01 0.00 0.00 64.34 64.10 1pk9 n VAL 42 Cb 0.17 -1.46 -0.06 0.00 -0.91 0.00 0.00 33.84 31.59 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 2.79 -1.59 -1.02 5.55 1.74 -1.26 -1.78 116.66 121.09 1pk9 n ARG 43 Ca 0.15 0.92 -0.01 0.00 -0.77 0.00 0.00 57.85 58.14 1pk9 n ARG 43 Cb 0.29 -5.26 -0.00 0.00 -1.02 0.00 0.00 32.46 26.47 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 0.02 0.39 3.28 -0.13 0.00 0.37 -4.94 105.19 104.19 1pk9 n GLY 44 Ca -0.13 -0.07 -0.43 0.00 0.00 0.00 0.00 46.02 45.39 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 -1.82 3.38 -1.68 1.61 0.00 -0.73 -4.85 117.12 113.03 1pk9 n MET 45 Ca -0.01 -3.62 -0.45 0.00 0.00 0.00 0.00 57.70 53.63 1pk9 n MET 45 Cb 0.16 -3.09 -0.03 0.00 0.00 0.00 0.00 33.22 30.27 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 5.56 3.25 -4.19 -0.89 4.77 -1.26 -4.46 117.00 119.79 1pk9 n LEU 46 Ca 0.40 1.12 -0.22 0.00 -0.03 0.00 0.00 56.01 57.28 1pk9 n LEU 46 Cb 0.41 -1.45 -0.13 0.00 -2.33 0.00 0.00 43.42 39.92 1pk9 n LEU 46 CO 0.71 -0.33 -0.49 -0.83 -1.33 0.00 0.00 177.39 175.12 1pk9 s GLY 47 N 0.58 0.93 0.05 -0.72 0.00 -1.03 -2.98 107.32 104.16 1pk9 s GLY 47 Ca 0.72 -0.94 0.01 0.00 0.00 0.00 0.00 44.72 44.51 1pk9 s GLY 47 CO 0.44 -0.90 -0.05 -1.36 0.00 0.00 0.00 173.10 171.24 1pk9 s PHE 48 N -0.86 0.59 -0.02 1.90 0.08 0.35 -0.93 117.98 119.09 1pk9 s PHE 48 Ca 0.04 -0.79 0.01 0.00 0.12 0.00 0.00 56.93 56.31 1pk9 s PHE 48 Cb -0.08 -0.38 0.01 0.00 -0.57 0.00 0.00 43.02 42.00 1pk9 s PHE 48 CO 0.02 -0.22 -0.04 0.99 -0.10 0.00 0.00 175.22 175.87 1pk9 s THR 49 N -2.78 0.39 0.00 0.64 2.01 -0.27 -1.37 115.64 114.25 1pk9 s THR 49 Ca -0.00 -0.11 0.00 0.00 0.31 0.00 0.00 61.69 61.88 1pk9 s THR 49 Cb -0.00 -0.39 0.00 0.00 0.01 0.00 0.00 72.50 72.12 1pk9 s THR 49 CO -0.04 0.15 0.00 0.61 -0.69 0.00 0.00 174.62 174.65 1pk9 n GLY 50 N 3.57 3.15 3.10 4.40 0.00 -0.42 -0.12 105.19 118.87 1pk9 n GLY 50 Ca -0.20 -0.60 -0.15 0.00 0.00 0.00 0.00 46.02 45.07 1pk9 n GLY 50 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1pk9 s THR 51 N -1.97 0.73 -0.20 2.61 -4.23 -0.73 -0.52 115.64 111.34 1pk9 s THR 51 Ca 0.00 -1.19 0.01 0.00 -1.18 0.00 0.00 61.69 59.33 1pk9 s THR 51 Cb 0.00 -0.81 0.04 0.00 1.34 0.00 0.00 72.50 73.08 1pk9 s THR 51 CO 0.00 -0.36 -0.11 -0.47 -0.54 0.00 0.00 174.62 173.14 1pk9 s TYR 52 N -1.45 2.49 -1.49 3.99 6.14 0.18 -0.89 117.35 126.32 1pk9 s TYR 52 Ca -0.06 -1.64 -0.08 0.00 0.64 0.00 0.00 57.07 55.92 1pk9 s TYR 52 Cb -0.09 -1.67 0.06 0.00 0.42 0.00 0.00 41.96 40.68 1pk9 s TYR 52 CO 0.01 -0.76 0.73 1.63 0.64 0.00 0.00 175.55 177.80 1pk9 n LYS 53 N 4.66 -4.26 -0.12 4.97 5.02 -1.26 -0.83 118.16 126.35 1pk9 n LYS 53 Ca -0.15 0.50 0.00 0.00 -2.02 0.00 0.00 58.31 56.64 1pk9 n LYS 53 Cb 0.46 -5.07 0.00 0.00 -0.02 0.00 0.00 35.03 30.40 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 -1.69 2.27 3.75 0.72 0.00 -1.26 -5.02 105.19 103.96 1pk9 n GLY 54 Ca -0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.17 4.24 -0.06 1.61 3.00 -0.01 -5.02 118.95 122.55 1pk9 s ARG 55 Ca 0.00 0.39 -0.30 0.00 -1.00 0.00 0.00 55.73 54.82 1pk9 s ARG 55 Cb 0.00 -3.38 -0.04 0.00 0.00 0.00 0.00 34.95 31.53 1pk9 s ARG 55 CO 0.00 0.29 1.27 0.21 0.00 0.00 0.00 175.30 177.08 1pk9 s LYS 56 N 0.20 4.31 0.01 5.12 2.20 -1.26 0.51 119.74 130.83 1pk9 s LYS 56 Ca 0.24 1.76 0.00 0.00 -0.36 0.00 0.00 55.97 57.61 1pk9 s LYS 56 Cb -0.15 -3.60 -0.01 0.00 -1.51 0.00 0.00 37.83 32.55 1pk9 s LYS 56 CO 0.10 -0.53 -0.02 0.42 -0.36 0.00 0.00 175.35 174.96 1pk9 s ILE 57 N 2.50 0.08 0.22 5.43 1.01 0.32 -4.70 121.20 126.07 1pk9 s ILE 57 Ca 0.58 -0.57 0.11 0.00 0.00 0.00 0.00 60.65 60.77 1pk9 s ILE 57 Cb -0.26 -0.18 -0.05 0.00 0.01 0.00 0.00 42.46 41.99 1pk9 s ILE 57 CO 0.22 -0.31 -0.20 -0.44 0.00 0.00 0.00 174.94 174.22 1pk9 s SER 58 N -0.91 3.63 -0.10 3.58 0.01 -0.96 -1.31 113.70 117.65 1pk9 s SER 58 Ca -0.10 -0.87 -0.04 0.00 1.31 0.00 0.00 55.95 56.25 1pk9 s SER 58 Cb -0.06 -0.35 0.05 0.00 0.21 0.00 0.00 66.02 65.86 1pk9 s SER 58 CO -0.01 0.09 0.22 0.54 0.41 0.00 0.00 173.24 174.49 1pk9 s VAL 59 N -1.94 -0.12 -0.12 3.43 0.11 -0.47 -0.63 120.40 120.66 1pk9 s VAL 59 Ca 0.24 0.20 -0.14 0.00 -2.93 0.00 0.00 61.98 59.35 1pk9 s VAL 59 Cb -0.07 -0.35 0.04 0.00 -1.53 0.00 0.00 36.38 34.46 1pk9 s VAL 59 CO 0.12 0.08 0.38 -0.32 -3.33 0.00 0.00 175.10 172.03 1pk9 s MET 60 N 1.52 0.50 0.69 1.54 0.00 -0.76 -0.50 119.30 122.29 1pk9 s MET 60 Ca -0.06 0.40 -0.13 0.00 0.00 0.00 0.00 55.69 55.89 1pk9 s MET 60 Cb -0.11 0.24 0.02 0.00 0.00 0.00 0.00 34.83 34.97 1pk9 s MET 60 CO -0.08 -0.08 1.10 0.20 0.00 0.00 0.00 175.02 176.16 1pk9 s GLY 61 N -0.09 1.96 0.00 2.11 0.00 -1.16 -3.77 107.32 106.37 1pk9 s GLY 61 Ca -0.03 0.41 0.00 0.00 0.00 0.00 0.00 44.72 45.10 1pk9 s GLY 61 CO 0.01 0.76 0.48 -2.39 0.00 0.00 0.00 173.10 171.96 1pk9 n HIS 62 N -2.80 0.00 -0.25 1.90 1.44 -0.70 -4.91 115.22 109.90 1pk9 n HIS 62 Ca 0.10 -0.03 0.03 0.00 -2.01 0.00 0.00 57.72 55.81 1pk9 n HIS 62 Cb 0.52 -0.00 -0.01 0.00 0.12 0.00 0.00 29.99 30.62 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 -0.03 -1.80 3.79 -1.39 0.00 -0.88 -2.85 105.19 102.03 1pk9 n GLY 63 Ca 0.00 -1.45 -0.37 0.00 0.00 0.00 0.00 46.02 44.20 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 -1.83 4.05 0.00 1.61 1.00 -1.26 -4.62 119.30 118.24 1pk9 s MET 64 Ca 0.00 0.27 0.00 0.00 0.00 0.00 0.00 55.69 55.96 1pk9 s MET 64 Cb 0.00 -3.32 0.00 0.00 0.00 0.00 0.00 34.83 31.51 1pk9 s MET 64 CO 0.00 0.47 0.00 0.41 0.00 0.00 0.00 175.02 175.90 1pk9 n GLY 65 N 2.56 2.24 0.22 -0.03 0.00 -1.25 -4.51 105.19 104.43 1pk9 n GLY 65 Ca -0.13 -1.76 -0.05 0.00 0.00 0.00 0.00 46.02 44.09 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 1.02 -0.86 -0.61 2.04 -1.74 -2.40 117.51 114.96 1pk9 h ILE 66 Ca 0.00 -0.21 0.03 0.00 1.00 0.00 0.00 64.86 65.68 1pk9 h ILE 66 Cb 0.00 0.36 -0.05 0.00 -0.74 0.00 0.00 36.82 36.39 1pk9 h ILE 66 CO 0.00 0.11 0.57 -0.65 0.00 0.00 0.00 178.15 178.18 1pk9 h PRO 67 N 0.60 1.06 0.28 2.37 0.11 -1.90 -0.37 132.00 134.14 1pk9 h PRO 67 Ca 0.23 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 66.26 1pk9 h PRO 67 Cb 0.07 -0.24 0.00 0.00 0.11 0.00 0.00 31.00 30.95 1pk9 h PRO 67 CO -0.12 0.70 -0.13 1.03 -0.21 0.00 0.00 178.00 179.26 1pk9 h SER 68 N 1.09 -0.32 0.37 -2.05 0.87 -1.73 -3.13 113.55 108.65 1pk9 h SER 68 Ca 0.34 -0.21 -0.02 0.00 -1.23 0.00 0.00 61.79 60.66 1pk9 h SER 68 Cb -0.00 0.08 -0.00 0.00 -0.44 0.00 0.00 62.40 62.03 1pk9 h SER 68 CO -0.10 0.13 -0.12 0.00 -0.53 0.00 0.00 176.83 176.22 1pk9 h SER 70 N 0.00 0.72 0.15 0.00 0.02 -1.06 -1.43 113.55 111.95 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 0.33 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.68 1pk9 h SER 70 CO 0.02 0.75 -0.07 0.40 -1.14 0.00 0.00 176.83 176.79 1pk9 h ILE 71 N 0.73 0.97 -0.32 3.27 2.04 -1.37 -2.70 117.51 120.13 1pk9 h ILE 71 Ca 0.15 -0.60 -0.03 0.00 1.00 0.00 0.00 64.86 65.38 1pk9 h ILE 71 Cb 0.36 1.34 -0.01 0.00 -0.74 0.00 0.00 36.82 37.77 1pk9 h ILE 71 CO 0.01 0.14 0.08 1.88 0.00 0.00 0.00 178.15 180.26 1pk9 h TYR 72 N -0.49 0.53 -0.64 1.37 0.05 -1.51 -2.65 116.97 113.63 1pk9 h TYR 72 Ca -0.02 -0.06 -0.04 0.00 0.05 0.00 0.00 58.73 58.65 1pk9 h TYR 72 Cb 0.39 -0.15 -0.03 0.00 1.01 0.00 0.00 36.73 37.95 1pk9 h TYR 72 CO 0.02 0.56 0.24 1.79 -1.05 0.00 0.00 178.16 179.71 1pk9 h THR 73 N 0.35 1.24 -0.05 -2.88 1.35 -1.36 -1.95 112.91 109.62 1pk9 h THR 73 Ca 0.10 -0.78 0.01 0.00 -0.55 0.00 0.00 66.41 65.19 1pk9 h THR 73 Cb 0.29 0.54 -0.01 0.00 -1.73 0.00 0.00 68.15 67.24 1pk9 h THR 73 CO 0.00 0.30 -0.02 0.50 -0.25 0.00 0.00 175.52 176.05 1pk9 h LYS 74 N 0.91 -0.02 -0.80 4.72 3.11 -1.45 -2.22 116.57 120.82 1pk9 h LYS 74 Ca 0.21 0.00 -0.02 0.00 -2.81 0.00 0.00 60.65 58.03 1pk9 h LYS 74 Cb 0.24 0.00 -0.04 0.00 -1.00 0.00 0.00 32.23 31.43 1pk9 h LYS 74 CO -0.01 -0.01 0.43 0.93 -2.81 0.00 0.00 179.45 177.97 1pk9 h GLU 75 N -0.02 1.13 -0.54 1.90 5.08 -1.34 -0.88 114.58 119.90 1pk9 h GLU 75 Ca 0.03 -0.14 -0.00 0.00 -1.00 0.00 0.00 59.36 58.25 1pk9 h GLU 75 Cb 0.06 -0.22 -0.03 0.00 0.50 0.00 0.00 28.75 29.07 1pk9 h GLU 75 CO -0.07 0.84 0.33 -0.07 -1.00 0.00 0.00 179.01 179.05 1pk9 h LEU 76 N 1.12 0.65 -0.11 1.33 3.38 -1.19 0.30 115.31 120.79 1pk9 h LEU 76 Ca 0.28 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 58.16 1pk9 h LEU 76 Cb 0.05 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.64 1pk9 h LEU 76 CO -0.04 0.51 -0.08 0.40 0.09 0.00 0.00 178.44 179.31 1pk9 h ILE 77 N 0.73 1.34 0.00 1.22 2.04 -1.14 -1.72 117.51 119.98 1pk9 h ILE 77 Ca 0.20 -1.19 -0.10 0.00 1.00 0.00 0.00 64.86 64.76 1pk9 h ILE 77 Cb -0.02 1.90 -0.02 0.00 -0.74 0.00 0.00 36.82 37.94 1pk9 h ILE 77 CO -0.04 0.34 -0.98 0.71 0.00 0.00 0.00 178.15 178.19 1pk9 h THR 78 N -0.14 0.42 0.00 -0.27 1.35 -1.13 -3.31 112.91 109.84 1pk9 h THR 78 Ca 0.02 -1.72 -0.00 0.00 -0.55 0.00 0.00 66.41 64.16 1pk9 h THR 78 Cb 0.58 1.99 -0.00 0.00 -1.73 0.00 0.00 68.15 68.99 1pk9 h THR 78 CO 0.02 0.24 -1.46 0.47 -0.25 0.00 0.00 175.52 174.54 1pk9 n ASP 79 N -2.94 2.69 -0.01 5.36 10.43 0.10 -4.72 116.55 127.47 1pk9 n ASP 79 Ca -0.03 0.00 0.01 0.00 2.57 0.00 0.00 54.79 57.34 1pk9 n ASP 79 Cb 0.72 1.45 0.02 0.00 1.84 0.00 0.00 41.12 45.15 1pk9 n ASP 79 CO 0.00 0.00 0.00 0.49 -1.07 0.00 0.00 177.20 176.62 1pk9 n PHE 80 N -1.86 0.00 -1.88 1.24 3.01 -0.69 -4.55 117.46 112.73 1pk9 n PHE 80 Ca -0.02 -0.55 -0.17 0.00 1.01 0.00 0.00 57.45 57.72 1pk9 n PHE 80 Cb 0.27 -0.06 -0.04 0.00 -0.01 0.00 0.00 39.48 39.63 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 -0.60 0.79 3.74 1.37 0.00 -1.01 -4.64 105.19 104.83 1pk9 n GLY 81 Ca 0.02 -0.17 -0.41 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.75 3.63 -0.21 1.61 1.01 -0.91 -4.72 120.40 118.05 1pk9 s VAL 82 Ca 0.00 1.37 0.08 0.00 0.00 0.00 0.00 61.98 63.43 1pk9 s VAL 82 Cb 0.00 -3.87 -0.18 0.00 0.00 0.00 0.00 36.38 32.32 1pk9 s VAL 82 CO 0.00 0.22 -0.10 0.29 0.00 0.00 0.00 175.10 175.51 1pk9 n LYS 83 N 2.51 0.75 -4.68 2.72 4.76 -0.07 -4.47 118.16 119.68 1pk9 n LYS 83 Ca 0.04 0.08 -0.23 0.00 -2.87 0.00 0.00 58.31 55.33 1pk9 n LYS 83 Cb 0.45 -1.47 -0.15 0.00 -1.84 0.00 0.00 35.03 32.01 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 -2.46 1.34 -0.10 1.97 1.02 -0.81 -1.43 119.74 119.26 1pk9 s LYS 84 Ca -0.23 -0.51 0.03 0.00 0.02 0.00 0.00 55.97 55.28 1pk9 s LYS 84 Cb 0.07 -1.24 0.01 0.00 -0.52 0.00 0.00 37.83 36.15 1pk9 s LYS 84 CO 0.63 0.26 -0.19 0.42 -0.92 0.00 0.00 175.35 175.55 1pk9 s ILE 85 N -0.12 1.75 -0.26 2.17 -1.09 -0.43 -1.72 121.20 121.50 1pk9 s ILE 85 Ca 0.01 -0.82 0.02 0.00 -2.23 0.00 0.00 60.65 57.63 1pk9 s ILE 85 Cb -0.08 -1.55 0.06 0.00 -1.58 0.00 0.00 42.46 39.31 1pk9 s ILE 85 CO 0.00 0.49 -0.08 -0.63 -1.23 0.00 0.00 174.94 173.50 1pk9 s ILE 86 N 0.67 1.97 0.05 2.92 1.01 -0.60 -1.05 121.20 126.17 1pk9 s ILE 86 Ca -0.12 -1.57 -0.29 0.00 0.00 0.00 0.00 60.65 58.66 1pk9 s ILE 86 Cb -0.16 -2.16 -0.05 0.00 0.01 0.00 0.00 42.46 40.10 1pk9 s ILE 86 CO 0.03 -0.11 0.93 -0.60 0.00 0.00 0.00 174.94 175.19 1pk9 s ARG 87 N 1.18 4.61 -0.32 2.79 3.52 0.78 -0.24 118.95 131.27 1pk9 s ARG 87 Ca -0.06 1.35 0.03 0.00 -0.13 0.00 0.00 55.73 56.92 1pk9 s ARG 87 Cb -0.20 -3.41 0.09 0.00 -1.56 0.00 0.00 34.95 29.88 1pk9 s ARG 87 CO -0.06 0.12 0.04 0.14 -0.81 0.00 0.00 175.30 174.73 1pk9 s VAL 88 N 0.40 1.89 0.00 7.11 -7.23 -0.23 -1.07 120.40 121.26 1pk9 s VAL 88 Ca 0.47 -1.98 0.00 0.00 -1.81 0.00 0.00 61.98 58.66 1pk9 s VAL 88 Cb -0.22 -2.35 0.00 0.00 0.56 0.00 0.00 36.38 34.38 1pk9 s VAL 88 CO 0.28 -0.53 0.00 0.61 -0.31 0.00 0.00 175.10 175.14 1pk9 n GLY 89 N 4.44 5.61 3.36 2.32 0.00 -0.68 -4.05 105.19 116.18 1pk9 n GLY 89 Ca -0.00 -1.45 -0.19 0.00 0.00 0.00 0.00 46.02 44.38 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 1.00 2.67 0.19 1.61 1.04 -1.26 -2.21 113.70 116.74 1pk9 s SER 90 Ca 0.00 -1.03 -0.11 0.00 0.48 0.00 0.00 55.95 55.29 1pk9 s SER 90 Cb 0.00 -0.15 -0.00 0.00 0.10 0.00 0.00 66.02 65.97 1pk9 s SER 90 CO 0.00 -0.16 0.37 0.00 0.98 0.00 0.00 173.24 174.43 1pk9 s GLY 92 N -2.97 2.02 0.01 0.00 0.00 -0.30 -0.84 107.32 105.24 1pk9 s GLY 92 Ca 0.18 -0.82 -0.02 0.00 0.00 0.00 0.00 44.72 44.06 1pk9 s GLY 92 CO 0.02 -0.66 0.19 0.00 0.00 0.00 0.00 173.10 172.65 1pk9 s ALA 93 N -1.13 3.96 -0.01 3.20 0.00 0.11 0.24 121.76 128.13 1pk9 s ALA 93 Ca 0.21 -0.79 0.01 0.00 0.00 0.00 0.00 51.96 51.39 1pk9 s ALA 93 Cb -0.12 -1.85 -0.02 0.00 0.00 0.00 0.00 23.12 21.13 1pk9 s ALA 93 CO 0.11 0.77 0.01 1.33 0.00 0.00 0.00 175.76 177.99 1pk9 n VAL 94 N 0.74 0.08 -2.59 0.00 0.24 -1.26 0.17 118.33 115.71 1pk9 n VAL 94 Ca -0.09 -0.06 -0.40 0.00 -2.04 0.00 0.00 64.34 61.75 1pk9 n VAL 94 Cb 0.52 -0.60 -0.05 0.00 -1.47 0.00 0.00 33.84 32.24 1pk9 n VAL 94 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1pk9 s LEU 95 N -3.86 4.59 0.40 1.34 1.43 -1.26 -4.84 118.68 116.48 1pk9 s LEU 95 Ca -0.01 2.13 0.08 0.00 -1.03 0.00 0.00 54.13 55.31 1pk9 s LEU 95 Cb 0.01 -3.62 0.82 0.00 0.03 0.00 0.00 46.19 43.43 1pk9 s LEU 95 CO 0.07 -0.02 1.97 1.55 0.23 0.00 0.00 176.35 180.15 1pk9 h PRO 96 N 3.99 0.35 -0.03 1.29 0.13 -1.98 -2.87 132.00 132.89 1pk9 h PRO 96 Ca -0.46 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 1pk9 h PRO 96 Cb 1.21 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1pk9 h PRO 96 CO 0.67 0.37 0.00 0.72 -0.23 0.00 0.00 178.00 179.53 1pk9 n HIS 97 N -4.36 0.02 -3.38 1.56 8.25 -1.26 -4.72 115.22 111.32 1pk9 n HIS 97 Ca 0.00 -0.01 -0.41 0.00 -0.26 0.00 0.00 57.72 57.04 1pk9 n HIS 97 Cb 0.19 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.21 1pk9 n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1pk9 s VAL 98 N -1.98 5.15 0.37 1.59 1.01 -1.08 -5.06 120.40 120.40 1pk9 s VAL 98 Ca 0.37 -0.06 0.07 0.00 0.00 0.00 0.00 61.98 62.36 1pk9 s VAL 98 Cb 0.21 -3.87 -0.01 0.00 0.00 0.00 0.00 36.38 32.71 1pk9 s VAL 98 CO 0.33 -0.17 0.48 -0.54 0.00 0.00 0.00 175.10 175.20 1pk9 s LYS 99 N 2.03 2.91 0.53 2.72 1.02 -1.26 -4.82 119.74 122.87 1pk9 s LYS 99 Ca 0.12 -1.18 -0.21 0.00 0.02 0.00 0.00 55.97 54.71 1pk9 s LYS 99 Cb -0.17 -2.72 -0.07 0.00 -0.52 0.00 0.00 37.83 34.36 1pk9 s LYS 99 CO 0.12 -0.08 1.05 1.28 -0.92 0.00 0.00 175.35 176.80 1pk9 n LEU 100 N -1.68 3.61 -0.40 3.17 4.77 -1.26 -2.03 117.00 123.18 1pk9 n LEU 100 Ca 0.03 0.92 -0.05 0.00 -0.03 0.00 0.00 56.01 56.88 1pk9 n LEU 100 Cb 0.59 -1.41 -0.02 0.00 -2.33 0.00 0.00 43.42 40.25 1pk9 n LEU 100 CO 0.41 -1.50 -0.05 0.54 -1.33 0.00 0.00 177.39 175.46 1pk9 n ARG 101 N -0.58 -0.93 -2.77 3.23 1.74 -0.93 -4.95 116.66 111.47 1pk9 n ARG 101 Ca 0.11 0.56 -0.37 0.00 -0.77 0.00 0.00 57.85 57.39 1pk9 n ARG 101 Cb 0.44 -4.44 -0.06 0.00 -1.02 0.00 0.00 32.46 27.37 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 -2.42 7.31 -0.28 0.55 1.11 -0.86 -4.78 116.67 117.30 1pk9 s ASP 102 Ca 0.00 1.84 -0.12 0.00 0.18 0.00 0.00 52.55 54.45 1pk9 s ASP 102 Cb 0.00 -2.58 -0.04 0.00 1.07 0.00 0.00 42.92 41.37 1pk9 s ASP 102 CO 0.00 -0.09 0.25 -0.69 1.18 0.00 0.00 175.17 175.82 1pk9 s VAL 103 N -1.64 5.26 -0.09 -1.27 1.01 -1.26 -1.63 120.40 120.79 1pk9 s VAL 103 Ca 0.51 0.28 -0.01 0.00 0.00 0.00 0.00 61.98 62.76 1pk9 s VAL 103 Cb -0.18 -3.59 -0.03 0.00 0.00 0.00 0.00 36.38 32.57 1pk9 s VAL 103 CO 0.23 0.20 -0.05 -0.69 0.00 0.00 0.00 175.10 174.80 1pk9 s VAL 104 N 1.86 3.84 -0.19 2.92 1.01 0.13 -1.78 120.40 128.20 1pk9 s VAL 104 Ca 0.10 -0.42 0.00 0.00 0.00 0.00 0.00 61.98 61.66 1pk9 s VAL 104 Cb -0.16 -2.60 0.01 0.00 0.00 0.00 0.00 36.38 33.63 1pk9 s VAL 104 CO 0.11 0.58 -0.17 -0.63 0.00 0.00 0.00 175.10 174.99 1pk9 s ILE 105 N -0.59 2.31 -0.69 2.22 1.01 0.10 -0.46 121.20 125.10 1pk9 s ILE 105 Ca 0.09 -0.86 -0.22 0.00 0.00 0.00 0.00 60.65 59.66 1pk9 s ILE 105 Cb -0.12 -1.99 0.08 0.00 0.01 0.00 0.00 42.46 40.44 1pk9 s ILE 105 CO 0.02 0.52 0.99 -0.83 0.00 0.00 0.00 174.94 175.63 1pk9 s GLY 106 N 1.31 1.43 0.44 6.18 0.00 -0.65 -1.57 107.32 114.45 1pk9 s GLY 106 Ca 0.05 -1.95 0.24 0.00 0.00 0.00 0.00 44.72 43.06 1pk9 s GLY 106 CO -0.11 2.06 1.76 0.00 0.00 0.00 0.00 173.10 176.81 1pk9 h MET 107 N 9.49 0.00 -4.14 2.90 -0.00 -1.32 -3.40 114.93 118.46 1pk9 h MET 107 Ca -0.23 0.00 -0.14 0.00 -0.00 0.00 0.00 59.70 59.33 1pk9 h MET 107 Cb 1.06 0.00 -0.14 0.00 -0.00 0.00 0.00 31.60 32.53 1pk9 h MET 107 CO 1.18 0.19 -0.49 0.20 -0.00 0.00 0.00 176.91 177.98 1pk9 s GLY 108 N -4.28 0.66 -0.14 -3.00 0.00 -1.12 -1.41 107.32 98.04 1pk9 s GLY 108 Ca 0.02 -1.14 -0.05 0.00 0.00 0.00 0.00 44.72 43.55 1pk9 s GLY 108 CO 0.64 -1.10 0.28 0.00 0.00 0.00 0.00 173.10 172.92 1pk9 s ALA 109 N -3.99 -0.61 0.69 3.20 0.00 -0.52 -1.74 121.76 118.79 1pk9 s ALA 109 Ca 0.18 0.99 -0.08 0.00 0.00 0.00 0.00 51.96 53.05 1pk9 s ALA 109 Cb 0.06 -1.04 0.04 0.00 0.00 0.00 0.00 23.12 22.18 1pk9 s ALA 109 CO -0.01 -0.64 1.03 0.00 0.00 0.00 0.00 175.76 176.14 1pk9 s THR 111 N -3.26 0.00 -0.71 0.00 -1.32 -1.26 -0.18 115.64 108.91 1pk9 s THR 111 Ca 0.58 0.00 0.14 0.00 -1.21 0.00 0.00 61.69 61.20 1pk9 s THR 111 Cb -0.11 -1.00 0.42 0.00 -1.51 0.00 0.00 72.50 70.31 1pk9 s THR 111 CO 0.47 0.00 1.35 -0.90 -2.21 0.00 0.00 174.62 173.33 1pk9 n ASP 112 N -0.08 3.43 -4.88 8.08 3.85 -1.21 -4.98 116.55 120.76 1pk9 n ASP 112 Ca -0.10 -2.38 -0.30 0.00 -0.71 0.00 0.00 54.79 51.30 1pk9 n ASP 112 Cb 0.61 -0.37 0.01 0.00 -1.35 0.00 0.00 41.12 40.02 1pk9 n ASP 112 CO 0.00 0.00 0.00 -0.55 -1.01 0.00 0.00 177.20 175.64 1pk9 s SER 113 N -1.30 6.15 0.00 -1.12 0.15 -1.26 -4.88 113.70 111.44 1pk9 s SER 113 Ca 0.32 1.25 0.19 0.00 0.70 0.00 0.00 55.95 58.42 1pk9 s SER 113 Cb 0.22 -2.35 0.11 0.00 -1.71 0.00 0.00 66.02 62.29 1pk9 s SER 113 CO 0.14 -0.84 1.06 1.17 1.20 0.00 0.00 173.24 175.97 1pk9 n LYS 114 N -2.64 1.64 -0.37 5.44 4.81 -1.26 -4.65 118.16 121.12 1pk9 n LYS 114 Ca 0.05 -1.42 0.03 0.00 -0.87 0.00 0.00 58.31 56.09 1pk9 n LYS 114 Cb 0.55 -1.36 0.17 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 3.26 1.08 0.00 3.15 -1.51 -2.00 -1.91 116.25 118.32 1pk9 h VAL 115 Ca 0.00 -0.40 -0.06 0.00 -1.23 0.00 0.00 66.70 65.01 1pk9 h VAL 115 Cb 0.75 -0.18 -0.01 0.00 -2.13 0.00 0.00 31.29 29.72 1pk9 h VAL 115 CO 0.00 0.21 -0.30 0.78 -1.23 0.00 0.00 177.57 177.03 1pk9 h ASN 116 N 1.16 0.00 0.37 4.19 2.35 -1.94 -2.64 115.58 119.06 1pk9 h ASN 116 Ca 0.43 0.00 -0.17 0.00 -0.55 0.00 0.00 56.30 56.01 1pk9 h ASN 116 Cb 0.18 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.54 1pk9 h ASN 116 CO -0.18 0.30 -0.70 0.03 -1.65 0.00 0.00 177.43 175.23 1pk9 h ARG 117 N 0.00 0.29 -0.37 0.81 3.08 -1.65 0.78 114.38 117.32 1pk9 h ARG 117 Ca -0.00 -0.23 -0.10 0.00 0.07 0.00 0.00 59.98 59.71 1pk9 h ARG 117 Cb 1.11 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 31.19 1pk9 h ARG 117 CO 0.04 0.88 -0.18 0.82 -1.07 0.00 0.00 179.97 180.46 1pk9 h ILE 118 N 0.20 1.26 -0.11 2.04 2.04 -1.26 0.34 117.51 122.02 1pk9 h ILE 118 Ca -0.02 -1.24 -0.21 0.00 1.00 0.00 0.00 64.86 64.38 1pk9 h ILE 118 Cb 1.25 1.17 0.01 0.00 -0.74 0.00 0.00 36.82 38.52 1pk9 h ILE 118 CO 0.11 0.41 -0.77 0.03 0.00 0.00 0.00 178.15 177.93 1pk9 h ARG 119 N 0.62 0.71 -1.00 2.37 3.08 -1.22 -3.36 114.38 115.58 1pk9 h ARG 119 Ca 0.10 -0.62 -0.65 0.00 0.07 0.00 0.00 59.98 58.87 1pk9 h ARG 119 Cb 0.65 0.14 -0.29 0.00 0.08 0.00 0.00 29.97 30.55 1pk9 h ARG 119 CO 0.05 1.23 0.84 0.34 -1.07 0.00 0.00 179.97 181.35 1pk9 n PHE 120 N -3.99 3.21 -4.06 3.04 7.35 0.25 -4.92 117.46 118.33 1pk9 n PHE 120 Ca -0.08 -2.82 -0.31 0.00 -0.76 0.00 0.00 57.45 53.48 1pk9 n PHE 120 Cb 0.74 -1.36 -0.01 0.00 0.35 0.00 0.00 39.48 39.20 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 -0.96 -3.70 -1.25 -4.13 5.02 -1.12 -1.56 118.16 110.46 1pk9 n LYS 121 Ca 0.62 0.43 -0.09 0.00 -2.02 0.00 0.00 58.31 57.26 1pk9 n LYS 121 Cb 0.85 -4.98 -0.04 0.00 -0.02 0.00 0.00 35.03 30.85 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 -2.81 -4.99 -2.95 4.39 4.64 0.12 -5.00 116.55 109.94 1pk9 n ASP 122 Ca -0.08 0.21 -0.07 0.00 -1.38 0.00 0.00 54.79 53.48 1pk9 n ASP 122 Cb 0.57 -3.26 0.02 0.00 -1.04 0.00 0.00 41.12 37.41 1pk9 n ASP 122 CO 0.00 0.00 0.00 1.41 -0.82 0.00 0.00 177.20 177.79 1pk9 n HIS 123 N -2.43 -2.45 -3.12 -0.67 8.25 -0.60 -5.02 115.22 109.18 1pk9 n HIS 123 Ca -0.09 -0.71 -0.43 0.00 -0.26 0.00 0.00 57.72 56.23 1pk9 n HIS 123 Cb 0.44 -0.17 -0.06 0.00 1.12 0.00 0.00 29.99 31.32 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 -2.15 6.25 -0.24 0.41 1.11 -1.26 -4.60 116.67 116.20 1pk9 s ASP 124 Ca 0.18 -0.73 -0.13 0.00 0.18 0.00 0.00 52.55 52.05 1pk9 s ASP 124 Cb -0.01 -2.31 -0.04 0.00 1.07 0.00 0.00 42.92 41.62 1pk9 s ASP 124 CO 0.11 -0.89 0.28 0.12 1.18 0.00 0.00 175.17 175.97 1pk9 s PHE 125 N 2.78 3.31 -0.57 4.23 5.36 -1.26 -5.03 117.98 126.80 1pk9 s PHE 125 Ca 0.18 0.38 -0.27 0.00 -0.96 0.00 0.00 56.93 56.26 1pk9 s PHE 125 Cb -0.17 -2.42 0.03 0.00 -0.34 0.00 0.00 43.02 40.12 1pk9 s PHE 125 CO 0.14 -0.04 1.10 0.00 -1.46 0.00 0.00 175.22 174.96 1pk9 s ALA 126 N 1.40 3.06 -0.57 11.12 0.00 -1.26 -4.96 121.76 130.55 1pk9 s ALA 126 Ca 0.13 -0.97 -0.28 0.00 0.00 0.00 0.00 51.96 50.84 1pk9 s ALA 126 Cb -0.15 -3.93 0.01 0.00 0.00 0.00 0.00 23.12 19.06 1pk9 s ALA 126 CO 0.07 -2.56 1.48 0.00 0.00 0.00 0.00 175.76 174.76 1pk9 s ALA 127 N 4.59 2.72 0.28 0.00 0.00 -1.26 -4.99 121.76 123.10 1pk9 s ALA 127 Ca 0.38 -0.68 0.10 0.00 0.00 0.00 0.00 51.96 51.77 1pk9 s ALA 127 Cb -0.09 -4.14 -0.05 0.00 0.00 0.00 0.00 23.12 18.84 1pk9 s ALA 127 CO 0.23 -3.08 -0.16 0.96 0.00 0.00 0.00 175.76 173.72 1pk9 s ILE 128 N 6.47 2.25 0.76 0.00 -4.36 -1.26 -1.44 121.20 123.62 1pk9 s ILE 128 Ca 0.54 -2.32 -0.06 0.00 -0.26 0.00 0.00 60.65 58.55 1pk9 s ILE 128 Cb -0.11 -2.34 0.11 0.00 1.25 0.00 0.00 42.46 41.38 1pk9 s ILE 128 CO 0.24 -0.39 1.07 0.00 0.24 0.00 0.00 174.94 176.10 1pk9 s ALA 129 N -2.64 3.17 -0.13 2.27 0.00 -0.50 -4.84 121.76 119.09 1pk9 s ALA 129 Ca 0.29 -1.29 -0.29 0.00 0.00 0.00 0.00 51.96 50.67 1pk9 s ALA 129 Cb -0.02 -2.41 -0.01 0.00 0.00 0.00 0.00 23.12 20.68 1pk9 s ALA 129 CO 0.14 -1.59 0.97 0.34 0.00 0.00 0.00 175.76 175.62 1pk9 s ASP 130 N -4.68 7.17 0.17 0.00 -1.08 -0.80 -4.96 116.67 112.50 1pk9 s ASP 130 Ca 0.65 1.45 -0.18 0.00 -0.52 0.00 0.00 52.55 53.95 1pk9 s ASP 130 Cb -0.07 -2.53 0.10 0.00 -1.46 0.00 0.00 42.92 38.96 1pk9 s ASP 130 CO 0.46 -0.46 1.64 0.15 0.52 0.00 0.00 175.17 177.49 1pk9 h PHE 131 N 7.17 -0.40 -0.87 -5.34 3.57 -1.96 -1.86 116.94 117.25 1pk9 h PHE 131 Ca -0.30 0.04 0.05 0.00 3.53 0.00 0.00 57.97 61.30 1pk9 h PHE 131 Cb 1.14 0.24 -0.05 0.00 2.79 0.00 0.00 35.95 40.06 1pk9 h PHE 131 CO 0.72 -0.25 0.57 -0.44 -2.23 0.00 0.00 178.31 176.67 1pk9 h ASP 132 N -0.09 0.88 -0.36 0.41 3.45 -1.99 -0.87 116.42 117.85 1pk9 h ASP 132 Ca 0.20 -0.00 -0.09 0.00 0.43 0.00 0.00 57.03 57.56 1pk9 h ASP 132 Cb 0.39 -0.19 -0.02 0.00 -0.56 0.00 0.00 39.33 38.95 1pk9 h ASP 132 CO -0.46 0.58 -0.10 0.24 -1.57 0.00 0.00 179.24 177.93 1pk9 h MET 133 N 1.01 0.80 -0.26 3.56 2.86 -1.75 -0.37 114.93 120.78 1pk9 h MET 133 Ca 0.36 -0.27 -0.03 0.00 -2.06 0.00 0.00 59.70 57.70 1pk9 h MET 133 Cb 0.14 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.73 1pk9 h MET 133 CO -0.12 0.88 0.04 0.28 1.06 0.00 0.00 176.91 179.04 1pk9 h VAL 134 N 0.73 1.23 -0.53 -2.22 2.07 -0.64 -2.25 116.25 114.63 1pk9 h VAL 134 Ca 0.12 -0.80 0.00 0.00 0.82 0.00 0.00 66.70 66.84 1pk9 h VAL 134 Cb 0.59 1.25 -0.03 0.00 -1.52 0.00 0.00 31.29 31.59 1pk9 h VAL 134 CO 0.04 0.26 0.33 -0.09 0.02 0.00 0.00 177.57 178.13 1pk9 h ARG 135 N 0.25 0.72 -0.91 1.57 2.43 -0.99 -1.07 114.38 116.37 1pk9 h ARG 135 Ca 0.08 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1pk9 h ARG 135 Cb 0.34 -0.15 -0.04 0.00 -0.42 0.00 0.00 29.97 29.70 1pk9 h ARG 135 CO 0.01 0.50 0.56 -0.91 -1.51 0.00 0.00 179.97 178.62 1pk9 h ASN 136 N 0.72 1.09 -0.12 -3.80 2.35 -0.97 -0.91 115.58 113.94 1pk9 h ASN 136 Ca 0.19 -0.06 -0.17 0.00 -0.55 0.00 0.00 56.30 55.72 1pk9 h ASN 136 Cb -0.04 -0.27 -0.00 0.00 0.05 0.00 0.00 38.32 38.05 1pk9 h ASN 136 CO -0.04 0.83 -0.53 0.00 -1.65 0.00 0.00 177.43 176.04 1pk9 h ALA 137 N 1.36 0.62 -0.51 -0.83 0.00 -1.03 -0.33 119.26 118.55 1pk9 h ALA 137 Ca 0.33 -0.50 -0.07 0.00 0.00 0.00 0.00 54.91 54.66 1pk9 h ALA 137 Cb -0.07 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1pk9 h ALA 137 CO -0.06 0.68 0.03 0.28 0.00 0.00 0.00 179.25 180.18 1pk9 h VAL 138 N 0.54 1.26 -0.38 0.00 2.07 -0.91 -1.58 116.25 117.25 1pk9 h VAL 138 Ca 0.02 -1.03 -0.04 0.00 0.82 0.00 0.00 66.70 66.47 1pk9 h VAL 138 Cb 1.10 0.92 -0.02 0.00 -1.52 0.00 0.00 31.29 31.77 1pk9 h VAL 138 CO 0.11 0.36 0.07 0.44 0.02 0.00 0.00 177.57 178.57 1pk9 h ASP 139 N 0.74 0.60 -0.89 0.57 3.45 -1.06 -2.09 116.42 117.75 1pk9 h ASP 139 Ca 0.15 -0.25 -0.01 0.00 0.43 0.00 0.00 57.03 57.35 1pk9 h ASP 139 Cb 0.47 -0.16 -0.04 0.00 -0.56 0.00 0.00 39.33 39.04 1pk9 h ASP 139 CO 0.02 0.70 0.52 0.00 -1.57 0.00 0.00 179.24 178.91 1pk9 h ALA 140 N 0.92 1.23 -0.62 3.45 0.00 -0.97 -1.76 119.26 121.52 1pk9 h ALA 140 Ca 0.12 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1pk9 h ALA 140 Cb 0.35 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1pk9 h ALA 140 CO 0.01 0.64 0.25 0.00 0.00 0.00 0.00 179.25 180.15 1pk9 h ALA 141 N 1.33 0.81 -0.38 0.00 0.00 -1.09 -2.07 119.26 117.87 1pk9 h ALA 141 Ca 0.32 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1pk9 h ALA 141 Cb -0.02 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 1pk9 h ALA 141 CO -0.06 0.42 0.24 0.87 0.00 0.00 0.00 179.25 180.72 1pk9 h LYS 142 N 0.87 0.50 -0.35 0.00 1.57 -0.88 0.17 116.57 118.46 1pk9 h LYS 142 Ca 0.21 -0.04 0.09 0.00 -1.87 0.00 0.00 60.65 59.04 1pk9 h LYS 142 Cb 0.20 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 1pk9 h LYS 142 CO -0.02 0.36 0.25 0.00 -0.57 0.00 0.00 179.45 179.47 1pk9 h ALA 143 N 1.12 2.24 -0.09 3.86 0.00 -0.99 0.79 119.26 126.19 1pk9 h ALA 143 Ca 0.14 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1pk9 h ALA 143 Cb -0.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1pk9 h ALA 143 CO -0.03 -0.34 0.00 1.28 0.00 0.00 0.00 179.25 180.17 1pk9 n LEU 144 N -4.45 1.97 -0.49 0.00 4.77 -0.76 -4.93 117.00 113.12 1pk9 n LEU 144 Ca 0.05 -0.72 -0.05 0.00 -0.03 0.00 0.00 56.01 55.26 1pk9 n LEU 144 Cb 0.38 -0.05 -0.01 0.00 -2.33 0.00 0.00 43.42 41.41 1pk9 n LEU 144 CO 0.35 0.36 -0.06 0.61 -1.33 0.00 0.00 177.39 177.33 1pk9 n GLY 145 N 1.22 0.44 3.62 -0.72 0.00 0.27 -5.03 105.19 104.99 1pk9 n GLY 145 Ca 0.17 -0.75 -0.34 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.22 3.96 0.05 -0.61 1.01 0.54 -5.00 121.20 118.92 1pk9 s ILE 146 Ca 0.00 -0.38 -0.21 0.00 0.00 0.00 0.00 60.65 60.07 1pk9 s ILE 146 Cb 0.00 -2.65 -0.06 0.00 0.01 0.00 0.00 42.46 39.76 1pk9 s ILE 146 CO 0.00 0.59 0.61 -1.81 0.00 0.00 0.00 174.94 174.33 1pk9 s ASP 147 N -0.76 7.07 -0.02 3.58 1.11 -1.26 -3.93 116.67 122.45 1pk9 s ASP 147 Ca 0.12 1.27 0.00 0.00 0.18 0.00 0.00 52.55 54.11 1pk9 s ASP 147 Cb -0.11 -2.38 0.03 0.00 1.07 0.00 0.00 42.92 41.53 1pk9 s ASP 147 CO 0.02 0.19 0.01 0.00 1.18 0.00 0.00 175.17 176.57 1pk9 s ALA 148 N -0.71 0.21 -0.03 5.23 0.00 -1.26 -4.33 121.76 120.86 1pk9 s ALA 148 Ca 0.31 0.22 -0.18 0.00 0.00 0.00 0.00 51.96 52.30 1pk9 s ALA 148 Cb -0.19 -0.28 -0.05 0.00 0.00 0.00 0.00 23.12 22.60 1pk9 s ALA 148 CO 0.19 -0.08 0.52 1.03 0.00 0.00 0.00 175.76 177.42 1pk9 s ARG 149 N 1.00 4.23 -0.17 0.00 0.52 -0.73 -4.95 118.95 118.85 1pk9 s ARG 149 Ca -0.09 0.58 -0.03 0.00 -0.52 0.00 0.00 55.73 55.67 1pk9 s ARG 149 Cb -0.13 -3.34 -0.02 0.00 0.52 0.00 0.00 34.95 31.98 1pk9 s ARG 149 CO -0.02 0.39 -0.06 0.08 0.02 0.00 0.00 175.30 175.70 1pk9 s VAL 150 N -0.18 3.47 0.00 3.52 1.01 -1.26 -0.73 120.40 126.23 1pk9 s VAL 150 Ca 0.28 -0.49 0.00 0.00 0.00 0.00 0.00 61.98 61.77 1pk9 s VAL 150 Cb -0.17 -2.53 0.00 0.00 0.00 0.00 0.00 36.38 33.68 1pk9 s VAL 150 CO 0.14 0.47 0.00 0.61 0.00 0.00 0.00 175.10 176.33 1pk9 n GLY 151 N 4.03 1.39 3.85 4.51 0.00 -0.61 -4.93 105.19 113.43 1pk9 n GLY 151 Ca -0.18 -0.24 -0.37 0.00 0.00 0.00 0.00 46.02 45.23 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 6.74 0.40 1.61 0.01 -1.26 -0.85 114.94 123.58 1pk9 s ASN 152 Ca 0.00 0.90 0.08 0.00 -0.71 0.00 0.00 52.86 53.12 1pk9 s ASN 152 Cb 0.00 -2.22 -0.05 0.00 0.41 0.00 0.00 41.25 39.39 1pk9 s ASN 152 CO 0.00 0.25 0.20 -0.76 -1.51 0.00 0.00 177.10 175.28 1pk9 s LEU 153 N -1.45 3.17 -0.11 0.60 1.43 -0.71 -0.53 118.68 121.07 1pk9 s LEU 153 Ca 0.28 -0.99 -0.00 0.00 -1.03 0.00 0.00 54.13 52.39 1pk9 s LEU 153 Cb -0.15 -1.56 0.02 0.00 0.03 0.00 0.00 46.19 44.53 1pk9 s LEU 153 CO 0.15 -0.52 -0.09 0.12 0.23 0.00 0.00 176.35 176.25 1pk9 s PHE 154 N -2.56 1.57 -0.45 0.29 5.36 -0.39 -0.65 117.98 121.16 1pk9 s PHE 154 Ca 0.41 -0.78 -0.17 0.00 -0.96 0.00 0.00 56.93 55.43 1pk9 s PHE 154 Cb 0.02 -1.27 0.04 0.00 -0.34 0.00 0.00 43.02 41.48 1pk9 s PHE 154 CO 0.23 -0.51 0.45 -1.12 -1.46 0.00 0.00 175.22 172.81 1pk9 s SER 155 N 1.58 6.18 0.17 6.13 0.01 0.75 -1.15 113.70 127.38 1pk9 s SER 155 Ca 0.03 -0.91 -0.12 0.00 1.31 0.00 0.00 55.95 56.26 1pk9 s SER 155 Cb -0.13 -2.22 -0.07 0.00 0.21 0.00 0.00 66.02 63.81 1pk9 s SER 155 CO -0.07 -0.65 0.54 0.00 0.41 0.00 0.00 173.24 173.46 1pk9 s ALA 156 N 2.07 3.58 -0.02 1.44 0.00 0.15 -3.29 121.76 125.69 1pk9 s ALA 156 Ca 0.10 -0.20 0.10 0.00 0.00 0.00 0.00 51.96 51.96 1pk9 s ALA 156 Cb -0.19 -2.48 -0.23 0.00 0.00 0.00 0.00 23.12 20.22 1pk9 s ALA 156 CO 0.11 0.48 0.74 -0.44 0.00 0.00 0.00 175.76 176.65 1pk9 h ASP 157 N 3.19 0.04 -3.78 0.00 5.19 -1.89 -3.42 116.42 115.75 1pk9 h ASP 157 Ca -0.48 -0.09 -0.68 0.00 -0.62 0.00 0.00 57.03 55.16 1pk9 h ASP 157 Cb 1.18 -0.01 -0.34 0.00 0.18 0.00 0.00 39.33 40.34 1pk9 h ASP 157 CO 0.67 1.08 -0.72 -0.76 -3.12 0.00 0.00 179.24 176.38 1pk9 s LEU 158 N -6.28 3.86 0.27 1.55 1.02 -1.26 -4.96 118.68 112.88 1pk9 s LEU 158 Ca -0.05 -1.36 -0.04 0.00 0.02 0.00 0.00 54.13 52.71 1pk9 s LEU 158 Cb 0.08 -1.67 0.34 0.00 0.02 0.00 0.00 46.19 44.95 1pk9 s LEU 158 CO 0.82 -0.26 1.86 0.15 0.02 0.00 0.00 176.35 178.95 1pk9 h PHE 159 N 7.93 1.04 -3.59 0.29 3.04 -1.98 -3.22 116.94 120.45 1pk9 h PHE 159 Ca -0.20 -0.05 -0.76 0.00 3.98 0.00 0.00 57.97 60.95 1pk9 h PHE 159 Cb 1.05 -0.32 -0.30 0.00 2.56 0.00 0.00 35.95 38.94 1pk9 h PHE 159 CO 0.61 0.76 0.07 0.71 -2.02 0.00 0.00 178.31 178.45 1pk9 s TYR 160 N -5.58 3.87 0.27 0.41 2.02 -1.26 -5.06 117.35 112.03 1pk9 s TYR 160 Ca -0.11 -2.56 -0.29 0.00 -0.37 0.00 0.00 57.07 53.74 1pk9 s TYR 160 Cb 0.16 -3.58 -0.10 0.00 -0.40 0.00 0.00 41.96 38.04 1pk9 s TYR 160 CO 0.81 -0.90 1.23 0.45 -1.57 0.00 0.00 175.55 175.57 1pk9 s SER 161 N 1.13 7.00 0.34 2.29 0.15 -1.22 -4.94 113.70 118.45 1pk9 s SER 161 Ca 0.24 2.44 0.15 0.00 0.70 0.00 0.00 55.95 59.48 1pk9 s SER 161 Cb -0.11 -2.63 0.58 0.00 -1.71 0.00 0.00 66.02 62.15 1pk9 s SER 161 CO -0.08 -0.39 1.71 1.55 1.20 0.00 0.00 173.24 177.23 1pk9 h PRO 162 N 4.12 0.00 -4.25 5.44 0.13 -1.97 -3.39 132.00 132.09 1pk9 h PRO 162 Ca -0.47 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 64.02 1pk9 h PRO 162 Cb 1.22 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.95 1pk9 h PRO 162 CO 0.69 0.46 -0.71 0.16 -0.23 0.00 0.00 178.00 178.38 1pk9 s ASP 163 N -6.66 4.56 0.00 1.44 -4.77 -1.26 -4.94 116.67 105.03 1pk9 s ASP 163 Ca -0.01 -2.28 0.00 0.00 -3.30 0.00 0.00 52.55 46.96 1pk9 s ASP 163 Cb 0.12 -1.52 0.00 0.00 -1.09 0.00 0.00 42.92 40.43 1pk9 s ASP 163 CO 0.72 -0.35 0.17 0.61 0.70 0.00 0.00 175.17 177.02 1pk9 n GLY 164 N 4.07 0.50 0.14 2.12 0.00 -1.26 -3.22 105.19 107.53 1pk9 n GLY 164 Ca 0.04 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.98 1pk9 n GLY 164 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1pk9 h GLU 165 N 0.69 0.21 0.00 1.61 5.08 -1.96 -3.27 114.58 116.94 1pk9 h GLU 165 Ca 0.00 -0.20 0.00 0.00 -1.00 0.00 0.00 59.36 58.16 1pk9 h GLU 165 Cb 0.17 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.47 1pk9 h GLU 165 CO 0.00 0.91 0.00 0.52 -1.00 0.00 0.00 179.01 179.44 1pk9 h MET 166 N 0.12 0.00 -0.46 2.33 2.86 -1.99 -3.03 114.93 114.76 1pk9 h MET 166 Ca -0.03 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.56 1pk9 h MET 166 Cb 1.41 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 33.05 1pk9 h MET 166 CO 0.12 0.00 0.10 0.74 1.06 0.00 0.00 176.91 178.93 1pk9 h PHE 167 N 0.00 0.79 -0.58 -0.22 0.05 -1.85 0.18 116.94 115.30 1pk9 h PHE 167 Ca 0.00 -0.10 -0.08 0.00 3.82 0.00 0.00 57.97 61.61 1pk9 h PHE 167 Cb 0.21 -0.22 -0.02 0.00 2.00 0.00 0.00 35.95 37.92 1pk9 h PHE 167 CO 0.00 0.73 0.06 -0.44 -0.18 0.00 0.00 178.31 178.48 1pk9 h ASP 168 N 0.62 0.92 -0.28 2.17 3.32 -1.75 -1.61 116.42 119.81 1pk9 h ASP 168 Ca 0.14 -0.22 -0.01 0.00 0.02 0.00 0.00 57.03 56.96 1pk9 h ASP 168 Cb 0.35 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 1pk9 h ASP 168 CO 0.00 0.94 0.12 0.58 -1.72 0.00 0.00 179.24 179.16 1pk9 h VAL 169 N 0.89 1.17 -0.41 -1.35 2.07 -1.51 0.85 116.25 117.96 1pk9 h VAL 169 Ca 0.18 -0.51 0.01 0.00 0.82 0.00 0.00 66.70 67.20 1pk9 h VAL 169 Cb 0.44 0.99 -0.03 0.00 -1.52 0.00 0.00 31.29 31.18 1pk9 h VAL 169 CO 0.02 0.18 0.25 0.24 0.02 0.00 0.00 177.57 178.27 1pk9 h MET 170 N 0.30 0.49 -0.65 1.57 2.86 -0.43 -1.60 114.93 117.47 1pk9 h MET 170 Ca 0.09 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.69 1pk9 h MET 170 Cb 0.17 -0.11 -0.03 0.00 0.06 0.00 0.00 31.60 31.68 1pk9 h MET 170 CO -0.01 0.33 0.36 1.49 1.06 0.00 0.00 176.91 180.14 1pk9 h GLU 171 N 0.51 0.91 -0.75 1.72 4.81 -1.13 -2.07 114.58 118.58 1pk9 h GLU 171 Ca 0.16 -0.10 0.10 0.00 -0.13 0.00 0.00 59.36 59.38 1pk9 h GLU 171 Cb -0.01 -0.18 -0.07 0.00 0.63 0.00 0.00 28.75 29.12 1pk9 h GLU 171 CO -0.07 0.68 0.39 -0.22 -0.73 0.00 0.00 179.01 179.06 1pk9 h LYS 172 N 0.89 0.63 -0.66 1.92 3.11 -0.26 -2.52 116.57 119.69 1pk9 h LYS 172 Ca 0.23 -0.04 0.00 0.00 -2.81 0.00 0.00 60.65 58.03 1pk9 h LYS 172 Cb 0.03 -0.14 0.00 0.00 -1.00 0.00 0.00 32.23 31.12 1pk9 h LYS 172 CO -0.04 0.42 0.00 0.66 -2.81 0.00 0.00 179.45 177.68 1pk9 n TYR 173 N -4.83 1.42 -1.03 1.91 4.01 -0.65 -4.96 117.16 113.02 1pk9 n TYR 173 Ca 0.12 -0.52 -0.01 0.00 -0.16 0.00 0.00 57.90 57.33 1pk9 n TYR 173 Cb 0.28 -0.33 -0.00 0.00 -0.31 0.00 0.00 39.34 38.98 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 0.68 0.49 3.72 2.72 0.00 -0.95 -5.01 105.19 106.85 1pk9 n GLY 174 Ca 0.21 -0.30 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 1pk9 n GLY 174 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1pk9 n ILE 175 N -2.85 0.33 0.10 -0.61 -0.00 -0.82 -4.66 119.36 110.85 1pk9 n ILE 175 Ca -0.01 -0.08 -0.19 0.00 -0.00 0.00 0.00 62.75 62.47 1pk9 n ILE 175 Cb 0.09 -1.95 -0.15 0.00 -0.00 0.00 0.00 39.64 37.64 1pk9 n ILE 175 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.55 176.48 1pk9 h LEU 176 N 6.08 0.52 -7.27 1.39 3.38 -1.16 -3.40 115.31 114.86 1pk9 h LEU 176 Ca -0.44 -0.61 -0.07 0.00 0.09 0.00 0.00 57.88 56.84 1pk9 h LEU 176 Cb 1.21 -0.17 -0.17 0.00 0.09 0.00 0.00 40.66 41.62 1pk9 h LEU 176 CO 0.90 1.49 -0.02 -0.83 0.09 0.00 0.00 178.44 180.06 1pk9 s GLY 177 N -4.76 -0.37 -0.22 0.83 0.00 -1.25 -4.36 107.32 97.18 1pk9 s GLY 177 Ca -0.07 0.58 -0.05 0.00 0.00 0.00 0.00 44.72 45.18 1pk9 s GLY 177 CO 0.89 0.30 -0.00 0.14 0.00 0.00 0.00 173.10 174.42 1pk9 s VAL 178 N -2.12 3.76 0.00 1.40 1.01 0.14 -1.26 120.40 123.33 1pk9 s VAL 178 Ca -0.07 -0.36 0.00 0.00 0.00 0.00 0.00 61.98 61.54 1pk9 s VAL 178 Cb -0.01 -2.72 0.00 0.00 0.00 0.00 0.00 36.38 33.65 1pk9 s VAL 178 CO 0.01 0.40 0.00 -1.84 0.00 0.00 0.00 175.10 173.67 1pk9 n GLU 179 N 4.70 0.21 -0.27 2.72 -0.00 -0.30 -1.15 120.64 126.55 1pk9 n GLU 179 Ca -0.17 0.00 0.01 0.00 -0.00 0.00 0.00 57.16 57.00 1pk9 n GLU 179 Cb 0.51 0.00 0.02 0.00 -0.00 0.00 0.00 31.44 31.97 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 0.40 0.00 3.44 2.81 -1.26 -0.68 117.12 121.83 1pk9 n MET 180 Ca 0.00 -1.12 0.00 0.00 -1.81 0.00 0.00 57.70 54.77 1pk9 n MET 180 Cb 0.00 -0.68 0.00 0.00 -0.71 0.00 0.00 33.22 31.83 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 -0.24 0.35 -0.37 0.03 4.71 -1.26 -2.11 120.64 121.75 1pk9 n GLU 181 Ca 0.02 0.00 -0.01 0.00 -0.01 0.00 0.00 57.16 57.16 1pk9 n GLU 181 Cb 0.60 -0.56 0.03 0.00 -1.01 0.00 0.00 31.44 30.51 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 -0.98 -0.14 0.08 0.62 0.00 -1.26 -0.68 120.51 118.15 1pk9 n ALA 182 Ca 0.00 0.95 0.05 0.00 0.00 0.00 0.00 53.44 54.44 1pk9 n ALA 182 Cb 0.06 -0.41 0.49 0.00 0.00 0.00 0.00 19.45 19.59 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 1.29 1.79 -0.16 0.00 0.00 -1.84 -1.30 119.26 119.05 1pk9 h ALA 183 Ca 0.33 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 55.06 1pk9 h ALA 183 Cb 0.57 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1pk9 h ALA 183 CO -0.95 0.19 -0.48 0.78 0.00 0.00 0.00 179.25 178.79 1pk9 h GLY 184 N 0.39 0.66 1.08 0.00 0.00 -1.26 -2.33 103.07 101.61 1pk9 h GLY 184 Ca 0.10 -0.85 -0.09 0.00 0.00 0.00 0.00 47.33 46.48 1pk9 h GLY 184 CO -0.02 0.76 0.02 -2.22 0.00 0.00 0.00 176.54 175.08 1pk9 h ILE 185 N 0.26 1.27 -0.26 2.60 2.04 -0.98 -1.71 117.51 120.72 1pk9 h ILE 185 Ca -0.02 -1.14 -0.07 0.00 1.00 0.00 0.00 64.86 64.64 1pk9 h ILE 185 Cb 1.10 0.76 -0.01 0.00 -0.74 0.00 0.00 36.82 37.93 1pk9 h ILE 185 CO 0.10 0.42 -0.14 1.88 0.00 0.00 0.00 178.15 180.41 1pk9 h TYR 186 N 0.99 0.48 -0.52 1.37 0.99 -1.29 -0.58 116.97 118.42 1pk9 h TYR 186 Ca 0.18 -0.07 -0.09 0.00 2.00 0.00 0.00 58.73 60.75 1pk9 h TYR 186 Cb 0.54 -0.13 -0.02 0.00 1.00 0.00 0.00 36.73 38.12 1pk9 h TYR 186 CO 0.04 0.58 -0.02 0.78 -0.00 0.00 0.00 178.16 179.53 1pk9 h GLY 187 N 0.92 1.00 1.01 3.88 0.00 -1.02 -2.31 103.07 106.55 1pk9 h GLY 187 Ca 0.08 -0.75 -0.10 0.00 0.00 0.00 0.00 47.33 46.55 1pk9 h GLY 187 CO 0.03 0.69 -0.13 -2.08 0.00 0.00 0.00 176.54 175.05 1pk9 h VAL 188 N 0.80 1.28 -0.53 4.60 2.07 -0.92 -1.50 116.25 122.04 1pk9 h VAL 188 Ca 0.14 -1.25 0.03 0.00 0.82 0.00 0.00 66.70 66.45 1pk9 h VAL 188 Cb 0.55 1.21 -0.04 0.00 -1.52 0.00 0.00 31.29 31.50 1pk9 h VAL 188 CO 0.03 0.42 0.30 0.00 0.02 0.00 0.00 177.57 178.34 1pk9 h ALA 189 N 0.84 0.69 -0.34 1.67 0.00 -1.04 -0.75 119.26 120.32 1pk9 h ALA 189 Ca 0.10 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 1pk9 h ALA 189 Cb 0.67 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1pk9 h ALA 189 CO 0.05 -0.02 -0.10 0.00 0.00 0.00 0.00 179.25 179.18 1pk9 h ALA 190 N 1.26 0.47 -0.75 0.00 0.00 -1.36 0.48 119.26 119.36 1pk9 h ALA 190 Ca 0.22 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 1pk9 h ALA 190 Cb 0.08 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 1pk9 h ALA 190 CO -0.13 0.33 0.26 1.49 0.00 0.00 0.00 179.25 181.20 1pk9 h GLU 191 N 0.45 1.15 -0.40 0.00 4.81 -0.93 -3.18 114.58 116.48 1pk9 h GLU 191 Ca 0.08 -0.23 0.00 0.00 -0.13 0.00 0.00 59.36 59.08 1pk9 h GLU 191 Cb 0.61 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.81 1pk9 h GLU 191 CO 0.04 0.96 0.00 1.19 -0.73 0.00 0.00 179.01 180.47 1pk9 n PHE 192 N -4.26 0.92 -3.30 0.92 3.01 -0.32 -5.02 117.46 109.42 1pk9 n PHE 192 Ca 0.06 -0.66 -0.16 0.00 1.01 0.00 0.00 57.45 57.70 1pk9 n PHE 192 Cb 0.21 -0.19 0.08 0.00 -0.01 0.00 0.00 39.48 39.57 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 0.32 -0.29 1.24 1.37 0.00 -0.03 -4.98 105.19 102.82 1pk9 n GLY 193 Ca 0.19 0.05 -0.11 0.00 0.00 0.00 0.00 46.02 46.16 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 -3.89 0.17 -2.36 4.61 0.00 -0.12 -5.04 120.51 113.89 1pk9 n ALA 194 Ca -0.24 -0.77 -0.30 0.00 0.00 0.00 0.00 53.44 52.13 1pk9 n ALA 194 Cb 0.64 0.46 -0.15 0.00 0.00 0.00 0.00 19.45 20.40 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 -2.61 1.88 0.07 0.00 1.02 -0.52 -4.56 119.74 115.03 1pk9 s LYS 195 Ca 0.03 -0.95 -0.04 0.00 0.02 0.00 0.00 55.97 55.03 1pk9 s LYS 195 Cb 0.00 -1.90 -0.03 0.00 -0.52 0.00 0.00 37.83 35.39 1pk9 s LYS 195 CO 0.02 0.51 0.05 0.00 -0.92 0.00 0.00 175.35 175.01 1pk9 s ALA 196 N -0.66 0.24 -0.13 5.17 0.00 -1.26 -1.31 121.76 123.81 1pk9 s ALA 196 Ca 0.10 -0.99 -0.18 0.00 0.00 0.00 0.00 51.96 50.89 1pk9 s ALA 196 Cb -0.10 0.37 0.04 0.00 0.00 0.00 0.00 23.12 23.43 1pk9 s ALA 196 CO 0.00 -0.43 0.46 -1.17 0.00 0.00 0.00 175.76 174.63 1pk9 s LEU 197 N -2.90 0.23 -0.12 0.00 2.96 -0.22 -1.90 118.68 116.73 1pk9 s LEU 197 Ca 0.07 0.76 0.03 0.00 -0.22 0.00 0.00 54.13 54.77 1pk9 s LEU 197 Cb 0.07 1.66 0.00 0.00 0.50 0.00 0.00 46.19 48.42 1pk9 s LEU 197 CO -0.10 -0.27 -0.23 -0.89 -1.32 0.00 0.00 176.35 173.54 1pk9 s THR 198 N -0.21 2.11 -0.04 3.68 2.01 -1.26 -0.15 115.64 121.76 1pk9 s THR 198 Ca -0.04 -0.99 0.05 0.00 0.31 0.00 0.00 61.69 61.03 1pk9 s THR 198 Cb -0.03 -1.82 -0.01 0.00 0.01 0.00 0.00 72.50 70.65 1pk9 s THR 198 CO 0.02 0.55 -0.21 -0.63 -0.69 0.00 0.00 174.62 173.67 1pk9 s ILE 199 N 0.56 1.69 0.07 1.82 1.01 -0.23 -1.64 121.20 124.48 1pk9 s ILE 199 Ca -0.13 -0.87 0.01 0.00 0.00 0.00 0.00 60.65 59.66 1pk9 s ILE 199 Cb -0.17 -1.43 -0.04 0.00 0.01 0.00 0.00 42.46 40.83 1pk9 s ILE 199 CO 0.04 0.48 -0.06 0.00 0.00 0.00 0.00 174.94 175.40 1pk9 s THR 201 N -3.13 2.71 -0.31 0.00 -4.23 -0.94 0.23 115.64 109.97 1pk9 s THR 201 Ca 0.05 -0.85 -0.29 0.00 -1.18 0.00 0.00 61.69 59.42 1pk9 s THR 201 Cb 0.02 -2.03 -0.01 0.00 1.34 0.00 0.00 72.50 71.82 1pk9 s THR 201 CO -0.04 0.58 1.64 -0.69 -0.54 0.00 0.00 174.62 175.57 1pk9 s VAL 202 N -0.62 3.66 -0.20 2.29 1.01 -0.64 -2.17 120.40 123.72 1pk9 s VAL 202 Ca 0.09 0.70 0.22 0.00 0.00 0.00 0.00 61.98 63.00 1pk9 s VAL 202 Cb -0.11 -3.80 -0.05 0.00 0.00 0.00 0.00 36.38 32.42 1pk9 s VAL 202 CO 0.00 -0.45 0.96 -1.54 0.00 0.00 0.00 175.10 174.07 1pk9 n SER 203 N 9.28 0.73 -3.50 3.32 3.41 -0.02 -2.19 113.62 124.66 1pk9 n SER 203 Ca 0.20 0.28 -0.09 0.00 -0.26 0.00 0.00 58.87 59.00 1pk9 n SER 203 Cb 0.46 0.67 -0.02 0.00 -0.26 0.00 0.00 64.21 65.06 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 -5.25 -0.43 0.15 4.04 1.47 -1.23 -5.01 116.67 110.42 1pk9 s ASP 204 Ca -0.02 -0.05 0.10 0.00 1.18 0.00 0.00 52.55 53.77 1pk9 s ASP 204 Cb 0.10 0.49 -0.04 0.00 -0.34 0.00 0.00 42.92 43.13 1pk9 s ASP 204 CO 0.81 -0.80 -0.22 -2.28 0.68 0.00 0.00 175.17 173.36 1pk9 s HIS 205 N -3.41 2.41 0.09 2.11 2.46 -1.26 0.10 115.29 117.78 1pk9 s HIS 205 Ca 0.04 -0.32 -0.16 0.00 0.47 0.00 0.00 55.06 55.09 1pk9 s HIS 205 Cb -0.01 -1.25 -0.10 0.00 -0.13 0.00 0.00 32.58 31.08 1pk9 s HIS 205 CO -0.09 0.42 1.39 0.97 -2.47 0.00 0.00 174.74 174.95 1pk9 h ILE 206 N 3.48 1.31 0.00 0.89 2.10 -0.60 -3.42 117.51 121.27 1pk9 h ILE 206 Ca -0.49 -1.47 0.00 0.00 1.08 0.00 0.00 64.86 63.98 1pk9 h ILE 206 Cb 1.18 1.68 0.00 0.00 -1.09 0.00 0.00 36.82 38.59 1pk9 h ILE 206 CO 0.45 0.46 0.00 0.54 -1.08 0.00 0.00 178.15 178.52 1pk9 n ARG 207 N -4.30 0.00 -1.86 2.19 1.74 -1.26 -4.87 116.66 108.30 1pk9 n ARG 207 Ca -0.05 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.62 1pk9 n ARG 207 Cb 0.47 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 31.89 1pk9 n ARG 207 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1pk9 s THR 208 N 0.01 2.30 -0.77 0.55 -4.23 -1.26 -4.96 115.64 107.27 1pk9 s THR 208 Ca 0.00 0.24 0.03 0.00 -1.18 0.00 0.00 61.69 60.78 1pk9 s THR 208 Cb 0.00 -3.15 0.22 0.00 1.34 0.00 0.00 72.50 70.90 1pk9 s THR 208 CO 0.00 0.03 0.72 1.41 -0.54 0.00 0.00 174.62 176.24 1pk9 n HIS 209 N 2.65 3.59 -3.71 3.99 8.25 -1.26 -4.15 115.22 124.58 1pk9 n HIS 209 Ca 0.09 -4.10 -0.13 0.00 -0.26 0.00 0.00 57.72 53.32 1pk9 n HIS 209 Cb 0.38 -0.80 -0.13 0.00 1.12 0.00 0.00 29.99 30.55 1pk9 n HIS 209 CO 0.00 0.00 0.00 -1.83 0.64 0.00 0.00 176.34 175.15 1pk9 s GLU 210 N -1.82 0.16 0.00 -0.41 1.03 -1.26 -5.11 118.70 111.29 1pk9 s GLU 210 Ca 0.30 0.58 0.00 0.00 0.03 0.00 0.00 54.97 55.88 1pk9 s GLU 210 Cb 0.01 -0.12 0.00 0.00 -0.80 0.00 0.00 34.13 33.22 1pk9 s GLU 210 CO -0.10 -0.21 0.00 1.04 -1.33 0.00 0.00 175.26 174.66 1pk9 n GLN 211 N 4.64 1.91 0.00 -4.83 1.13 -1.26 -5.00 117.38 113.98 1pk9 n GLN 211 Ca -0.18 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 54.88 1pk9 n GLN 211 Cb 0.52 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.87 1pk9 n GLN 211 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 1pk9 n THR 212 N -0.04 0.00 -3.67 5.09 -2.24 -1.26 -5.12 114.28 107.03 1pk9 n THR 212 Ca 0.00 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.49 1pk9 n THR 212 Cb 0.00 0.00 -0.15 0.00 -2.10 0.00 0.00 70.33 68.08 1pk9 n THR 212 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1pk9 s THR 213 N 2.87 0.49 0.00 4.28 -4.23 -1.26 -5.03 115.64 112.76 1pk9 s THR 213 Ca 0.00 -1.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.51 1pk9 s THR 213 Cb 0.00 -1.30 0.00 0.00 1.34 0.00 0.00 72.50 72.54 1pk9 s THR 213 CO 0.00 -0.58 0.00 0.00 -0.54 0.00 0.00 174.62 173.50 1pk9 n ALA 214 N 5.02 0.00 -0.30 3.99 0.00 -1.26 0.27 120.51 128.23 1pk9 n ALA 214 Ca -0.05 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.48 1pk9 n ALA 214 Cb 0.43 0.00 0.25 0.00 0.00 0.00 0.00 19.45 20.14 1pk9 n ALA 214 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pk9 h ALA 215 N 0.00 1.34 -0.39 0.00 0.00 -1.98 0.25 119.26 118.47 1pk9 h ALA 215 Ca 0.00 0.11 -0.13 0.00 0.00 0.00 0.00 54.91 54.89 1pk9 h ALA 215 Cb 0.00 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1pk9 h ALA 215 CO 0.00 -0.16 -0.27 0.93 0.00 0.00 0.00 179.25 179.75 1pk9 h GLU 216 N 0.57 0.87 -0.58 0.00 5.08 0.33 -2.09 114.58 118.76 1pk9 h GLU 216 Ca 0.50 -0.42 -0.07 0.00 -1.00 0.00 0.00 59.36 58.38 1pk9 h GLU 216 Cb 0.78 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.00 1pk9 h GLU 216 CO -0.41 1.06 0.11 0.00 -1.00 0.00 0.00 179.01 178.77 1pk9 h ARG 217 N 0.68 0.96 0.00 2.33 3.08 -1.37 -2.39 114.38 117.67 1pk9 h ARG 217 Ca 0.08 -0.25 -0.06 0.00 0.07 0.00 0.00 59.98 59.81 1pk9 h ARG 217 Cb 0.84 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.77 1pk9 h ARG 217 CO 0.07 0.90 -0.31 1.96 -1.07 0.00 0.00 179.97 181.53 1pk9 h GLN 218 N 0.86 0.00 -0.22 0.04 4.20 -0.96 -1.75 115.11 117.28 1pk9 h GLN 218 Ca 0.18 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.76 1pk9 h GLN 218 Cb 0.40 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.18 1pk9 h GLN 218 CO 0.01 0.31 -0.37 1.15 -0.67 0.00 0.00 178.83 179.26 1pk9 h THR 219 N 0.00 1.32 -0.64 -0.54 2.02 -1.05 -2.71 112.91 111.31 1pk9 h THR 219 Ca -0.00 -1.58 -0.08 0.00 0.77 0.00 0.00 66.41 65.52 1pk9 h THR 219 Cb 0.70 1.78 -0.03 0.00 -1.74 0.00 0.00 68.15 68.87 1pk9 h THR 219 CO 0.04 0.49 0.10 0.74 0.37 0.00 0.00 175.52 177.27 1pk9 h THR 220 N 0.34 1.26 -0.61 3.16 2.02 -1.13 -1.64 112.91 116.30 1pk9 h THR 220 Ca 0.02 -1.01 -0.01 0.00 0.77 0.00 0.00 66.41 66.17 1pk9 h THR 220 Cb 0.96 0.66 -0.03 0.00 -1.74 0.00 0.00 68.15 68.00 1pk9 h THR 220 CO 0.08 0.38 0.34 0.15 0.37 0.00 0.00 175.52 176.84 1pk9 h PHE 221 N 0.98 0.85 -0.17 3.16 3.04 -1.30 -1.56 116.94 121.94 1pk9 h PHE 221 Ca 0.20 -0.02 -0.08 0.00 3.98 0.00 0.00 57.97 62.05 1pk9 h PHE 221 Cb 0.42 -0.27 -0.01 0.00 2.56 0.00 0.00 35.95 38.65 1pk9 h PHE 221 CO 0.03 0.61 -0.24 -0.91 -2.02 0.00 0.00 178.31 175.78 1pk9 h ASN 222 N 0.84 0.29 -0.66 0.41 2.35 -1.21 -2.38 115.58 115.22 1pk9 h ASN 222 Ca 0.22 -0.09 -0.05 0.00 -0.55 0.00 0.00 56.30 55.83 1pk9 h ASN 222 Cb 0.05 -0.08 -0.03 0.00 0.05 0.00 0.00 38.32 38.31 1pk9 h ASN 222 CO -0.03 0.54 0.20 0.44 -1.65 0.00 0.00 177.43 176.92 1pk9 h ASP 223 N 0.27 0.97 -0.47 5.81 3.32 -0.69 -0.24 116.42 125.39 1pk9 h ASP 223 Ca 0.04 -0.21 0.01 0.00 0.02 0.00 0.00 57.03 56.89 1pk9 h ASP 223 Cb 0.57 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.84 1pk9 h ASP 223 CO 0.04 0.93 0.29 -0.03 -1.72 0.00 0.00 179.24 178.75 1pk9 h MET 224 N 0.96 0.58 -0.68 3.56 1.85 -0.82 0.09 114.93 120.47 1pk9 h MET 224 Ca 0.21 -0.03 -0.08 0.00 -0.61 0.00 0.00 59.70 59.19 1pk9 h MET 224 Cb 0.31 -0.13 -0.03 0.00 0.43 0.00 0.00 31.60 32.18 1pk9 h MET 224 CO -0.01 0.38 0.11 0.82 -0.40 0.00 0.00 176.91 177.82 1pk9 h ILE 225 N 0.60 1.26 -0.71 1.77 1.08 -1.11 -0.91 117.51 119.50 1pk9 h ILE 225 Ca 0.18 -1.05 -0.05 0.00 -0.39 0.00 0.00 64.86 63.55 1pk9 h ILE 225 Cb -0.03 0.62 -0.03 0.00 -3.07 0.00 0.00 36.82 34.31 1pk9 h ILE 225 CO -0.06 0.39 0.23 0.11 -0.69 0.00 0.00 178.15 178.14 1pk9 h LYS 226 N 1.05 1.08 -0.41 2.37 1.57 -0.64 -0.02 116.57 121.57 1pk9 h LYS 226 Ca 0.21 -0.22 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1pk9 h LYS 226 Cb 0.45 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.57 1pk9 h LYS 226 CO 0.01 0.91 0.25 0.82 -0.57 0.00 0.00 179.45 180.88 1pk9 h ILE 227 N 1.04 1.13 0.34 1.86 2.04 -0.52 0.20 117.51 123.60 1pk9 h ILE 227 Ca 0.23 -0.28 -0.01 0.00 1.00 0.00 0.00 64.86 65.79 1pk9 h ILE 227 Cb 0.28 0.58 -0.00 0.00 -0.74 0.00 0.00 36.82 36.93 1pk9 h ILE 227 CO -0.01 0.13 -0.19 0.00 0.00 0.00 0.00 178.15 178.08 1pk9 h ALA 228 N 1.12 -0.49 -0.55 1.87 0.00 -0.59 -0.39 119.26 120.22 1pk9 h ALA 228 Ca 0.15 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1pk9 h ALA 228 Cb -0.01 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1pk9 h ALA 228 CO -0.03 -0.78 0.24 -0.07 0.00 0.00 0.00 179.25 178.61 1pk9 h LEU 229 N -0.50 0.74 -1.25 0.00 3.38 -0.93 -2.65 115.31 114.10 1pk9 h LEU 229 Ca -0.04 -0.15 -0.05 0.00 0.09 0.00 0.00 57.88 57.73 1pk9 h LEU 229 Cb 0.40 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1pk9 h LEU 229 CO 0.05 0.68 -0.24 -0.33 0.09 0.00 0.00 178.44 178.70 1pk9 h GLU 230 N 0.74 0.00 -0.04 1.13 4.39 -0.90 -2.66 114.58 117.23 1pk9 h GLU 230 Ca 0.18 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.76 1pk9 h GLU 230 Cb 0.16 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.80 1pk9 h GLU 230 CO -0.02 0.24 -0.53 0.66 -1.16 0.00 0.00 179.01 178.20 1pk9 h SER 231 N 0.00 0.13 -0.40 1.42 4.64 -0.71 -2.74 113.55 115.89 1pk9 h SER 231 Ca -0.00 -0.07 -0.06 0.00 -0.47 0.00 0.00 61.79 61.19 1pk9 h SER 231 Cb 0.69 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 62.73 1pk9 h SER 231 CO 0.03 0.64 0.02 0.58 -0.87 0.00 0.00 176.83 177.22 1pk9 h VAL 232 N 0.09 1.26 -0.46 0.95 2.07 -1.27 -1.91 116.25 116.98 1pk9 h VAL 232 Ca -0.00 -0.98 -0.00 0.00 0.82 0.00 0.00 66.70 66.54 1pk9 h VAL 232 Cb 0.97 1.10 -0.02 0.00 -1.52 0.00 0.00 31.29 31.81 1pk9 h VAL 232 CO 0.08 0.33 0.27 -0.07 0.02 0.00 0.00 177.57 178.20 1pk9 h LEU 233 N 0.53 0.55 -0.87 2.57 -0.00 -1.48 -1.00 115.31 115.61 1pk9 h LEU 233 Ca 0.12 -0.06 0.07 0.00 -0.00 0.00 0.00 57.88 58.00 1pk9 h LEU 233 Cb 0.45 -0.14 -0.06 0.00 -0.00 0.00 0.00 40.66 40.91 1pk9 h LEU 233 CO 0.02 0.45 0.54 -0.07 -0.00 0.00 0.00 178.44 179.38 1pk9 h LEU 234 N 0.60 0.83 -1.04 1.67 4.07 -1.36 -1.72 115.31 118.37 1pk9 h LEU 234 Ca 0.16 0.02 -0.09 0.00 0.08 0.00 0.00 57.88 58.05 1pk9 h LEU 234 Cb 0.01 -0.15 -0.01 0.00 1.08 0.00 0.00 40.66 41.58 1pk9 h LEU 234 CO -0.03 0.52 -0.34 1.23 -1.08 0.00 0.00 178.44 178.74 1pk9 h GLY 235 N 0.96 0.28 2.00 0.83 0.00 -0.75 -2.83 103.07 103.55 1pk9 h GLY 235 Ca 0.39 -0.24 -0.03 0.00 0.00 0.00 0.00 47.33 47.45 1pk9 h GLY 235 CO -0.19 0.22 -0.14 -0.55 0.00 0.00 0.00 176.54 175.88 1pk9 h ASP 236 N 0.22 0.00 0.00 0.19 3.32 -0.26 -3.51 116.42 116.38 1pk9 h ASP 236 Ca 0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.08 1pk9 h ASP 236 Cb 0.71 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.26 1pk9 h ASP 236 CO 0.05 0.14 0.00 0.29 -1.72 0.00 0.00 179.24 178.00