#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kk9 s GLN 3 N 0.00 1.73 -0.21 -1.46 -0.21 -0.82 -4.90 119.66 113.78 1kk9 s GLN 3 Ca 0.00 -0.01 -0.04 0.00 0.02 0.00 0.00 55.36 55.33 1kk9 s GLN 3 Cb 0.00 -1.95 0.10 0.00 1.00 0.00 0.00 33.01 32.17 1kk9 s GLN 3 CO 0.00 -1.73 0.25 0.12 -2.12 0.00 0.00 175.29 171.81 1kk9 s PHE 4 N -3.62 -0.38 -0.17 0.91 5.36 -1.26 -2.04 117.98 116.79 1kk9 s PHE 4 Ca 0.64 0.32 -0.06 0.00 -0.96 0.00 0.00 56.93 56.87 1kk9 s PHE 4 Cb -0.10 -0.30 -0.04 0.00 -0.34 0.00 0.00 43.02 42.25 1kk9 s PHE 4 CO 0.49 -0.63 0.04 -0.06 -1.46 0.00 0.00 175.22 173.60 1kk9 s PHE 5 N 2.37 3.22 -0.33 10.12 2.99 -0.35 -4.97 117.98 131.02 1kk9 s PHE 5 Ca 0.08 0.04 -0.15 0.00 0.00 0.00 0.00 56.93 56.90 1kk9 s PHE 5 Cb -0.16 -2.03 -0.02 0.00 0.00 0.00 0.00 43.02 40.82 1kk9 s PHE 5 CO -0.13 0.17 0.38 0.71 -0.00 0.00 0.00 175.22 176.35 1kk9 s TYR 6 N 0.20 3.21 -0.06 0.36 1.51 -1.26 0.80 117.35 122.10 1kk9 s TYR 6 Ca 0.03 0.08 0.05 0.00 -1.01 0.00 0.00 57.07 56.23 1kk9 s TYR 6 Cb -0.13 -2.67 -0.01 0.00 -0.11 0.00 0.00 41.96 39.05 1kk9 s TYR 6 CO 0.01 -0.40 -0.24 0.42 -1.11 0.00 0.00 175.55 174.23 1kk9 s ILE 7 N 2.06 1.97 0.12 2.71 1.01 -0.57 -4.95 121.20 123.55 1kk9 s ILE 7 Ca 0.13 -1.01 -0.31 0.00 0.00 0.00 0.00 60.65 59.46 1kk9 s ILE 7 Cb -0.16 -1.67 -0.11 0.00 0.01 0.00 0.00 42.46 40.53 1kk9 s ILE 7 CO 0.11 0.55 1.85 1.57 0.00 0.00 0.00 174.94 179.02 1kk9 n HIS 8 N 3.10 2.64 0.08 3.97 -0.00 -1.26 -4.50 115.22 119.25 1kk9 n HIS 8 Ca -0.18 -0.18 0.11 0.00 -0.00 0.00 0.00 57.72 57.47 1kk9 n HIS 8 Cb 0.52 -2.74 0.58 0.00 -0.00 0.00 0.00 29.99 28.35 1kk9 n HIS 8 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 1kk9 h PRO 9 N 8.70 0.19 0.00 1.57 0.11 -1.91 -2.88 132.00 137.78 1kk9 h PRO 9 Ca -0.46 -0.01 -0.29 0.00 0.11 0.00 0.00 66.00 65.34 1kk9 h PRO 9 Cb 1.22 -0.04 -0.05 0.00 0.11 0.00 0.00 31.00 32.23 1kk9 h PRO 9 CO 0.95 0.13 -2.10 -0.25 -0.21 0.00 0.00 178.00 176.52 1kk9 n ASP 10 N -4.48 1.77 -3.67 -2.05 8.00 -1.26 -4.20 116.55 110.65 1kk9 n ASP 10 Ca 0.04 -0.05 -0.27 0.00 0.71 0.00 0.00 54.79 55.21 1kk9 n ASP 10 Cb 0.25 0.33 -0.11 0.00 -0.02 0.00 0.00 41.12 41.57 1kk9 n ASP 10 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1kk9 n ASN 11 N -2.81 2.04 -4.70 -2.24 3.02 -1.23 -4.89 115.26 104.45 1kk9 n ASN 11 Ca -0.30 -2.99 -0.42 0.00 -0.03 0.00 0.00 54.58 50.84 1kk9 n ASN 11 Cb 0.94 -0.69 -0.03 0.00 -0.61 0.00 0.00 39.78 39.40 1kk9 n ASN 11 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99 1kk9 n PRO 12 N 2.03 2.82 -1.79 3.52 -0.02 -1.09 -4.42 135.00 136.05 1kk9 n PRO 12 Ca 0.24 1.02 -0.42 0.00 -2.02 0.00 0.00 63.50 62.32 1kk9 n PRO 12 Cb 0.40 -2.91 -0.03 0.00 -0.02 0.00 0.00 33.50 30.94 1kk9 n PRO 12 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1kk9 s GLN 13 N 2.37 4.11 0.30 -0.52 1.11 -1.26 -4.86 119.66 120.91 1kk9 s GLN 13 Ca 0.80 2.43 0.01 0.00 0.01 0.00 0.00 55.36 58.61 1kk9 s GLN 13 Cb -0.48 -4.11 0.53 0.00 -1.01 0.00 0.00 33.01 27.94 1kk9 s GLN 13 CO 0.36 -0.97 1.90 0.37 0.01 0.00 0.00 175.29 176.96 1kk9 h GLN 14 N 10.40 1.00 -0.46 2.91 5.75 -1.99 -2.10 115.11 130.62 1kk9 h GLN 14 Ca -0.46 -0.06 0.02 0.00 -0.15 0.00 0.00 58.65 58.01 1kk9 h GLN 14 Cb 1.22 -0.22 -0.03 0.00 1.07 0.00 0.00 27.48 29.51 1kk9 h GLN 14 CO 0.95 0.66 0.26 -0.09 -2.65 0.00 0.00 178.83 177.96 1kk9 h ARG 15 N 1.03 0.51 -0.20 1.69 2.43 -1.99 0.98 114.38 118.82 1kk9 h ARG 15 Ca 0.41 -0.03 -0.17 0.00 -0.81 0.00 0.00 59.98 59.38 1kk9 h ARG 15 Cb 0.25 -0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 29.68 1kk9 h ARG 15 CO -0.16 0.34 -0.55 -0.07 -1.51 0.00 0.00 179.97 178.01 1kk9 h LEU 16 N 0.53 0.68 0.00 3.80 3.38 -1.88 -1.41 115.31 120.42 1kk9 h LEU 16 Ca 0.19 -0.37 0.02 0.00 0.09 0.00 0.00 57.88 57.81 1kk9 h LEU 16 Cb 0.03 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 1kk9 h LEU 16 CO -0.09 1.10 -0.10 0.40 0.09 0.00 0.00 178.44 179.83 1kk9 h ILE 17 N 0.47 0.74 -0.93 1.22 1.08 -0.94 0.56 117.51 119.71 1kk9 h ILE 17 Ca 0.01 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.48 1kk9 h ILE 17 Cb 1.11 0.74 -0.05 0.00 -3.07 0.00 0.00 36.82 35.55 1kk9 h ILE 17 CO 0.11 0.00 0.57 0.78 -0.69 0.00 0.00 178.15 178.92 1kk9 h ASN 18 N -0.18 1.10 -0.72 1.72 2.35 -0.72 -1.17 115.58 117.96 1kk9 h ASN 18 Ca 0.04 -0.06 -0.02 0.00 -0.55 0.00 0.00 56.30 55.71 1kk9 h ASN 18 Cb 0.23 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 38.29 1kk9 h ASN 18 CO -0.11 0.84 0.36 1.56 -1.65 0.00 0.00 177.43 178.43 1kk9 h GLN 19 N 1.27 1.02 -0.18 0.81 4.20 -0.72 -0.93 115.11 120.58 1kk9 h GLN 19 Ca 0.33 -0.14 -0.01 0.00 0.06 0.00 0.00 58.65 58.90 1kk9 h GLN 19 Cb -0.08 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.51 1kk9 h GLN 19 CO -0.06 0.79 0.08 0.00 -0.67 0.00 0.00 178.83 178.96 1kk9 h ALA 20 N 1.18 0.23 -0.81 3.87 0.00 -0.17 -1.80 119.26 121.76 1kk9 h ALA 20 Ca 0.25 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 55.11 1kk9 h ALA 20 Cb 0.09 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.76 1kk9 h ALA 20 CO -0.03 -0.20 0.53 0.28 0.00 0.00 0.00 179.25 179.83 1kk9 h VAL 21 N 0.15 1.10 -0.64 0.00 2.07 -1.00 -1.12 116.25 116.83 1kk9 h VAL 21 Ca 0.06 -0.33 -0.02 0.00 0.82 0.00 0.00 66.70 67.23 1kk9 h VAL 21 Cb 0.13 0.06 -0.03 0.00 -1.52 0.00 0.00 31.29 29.93 1kk9 h VAL 21 CO -0.01 0.17 0.30 -0.08 0.02 0.00 0.00 177.57 177.98 1kk9 h GLU 22 N 0.96 0.92 -0.82 1.57 4.57 -0.71 0.23 114.58 121.29 1kk9 h GLU 22 Ca 0.33 -0.14 0.01 0.00 -1.18 0.00 0.00 59.36 58.38 1kk9 h GLU 22 Cb 0.10 -0.16 -0.04 0.00 -0.16 0.00 0.00 28.75 28.49 1kk9 h GLU 22 CO -0.10 0.74 0.54 0.82 -1.18 0.00 0.00 179.01 179.83 1kk9 h ILE 23 N 0.88 1.21 -0.25 2.32 2.04 -0.39 -0.43 117.51 122.88 1kk9 h ILE 23 Ca 0.22 -0.38 -0.12 0.00 1.00 0.00 0.00 64.86 65.58 1kk9 h ILE 23 Cb 0.12 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.20 1kk9 h ILE 23 CO -0.03 0.20 -0.30 0.58 0.00 0.00 0.00 178.15 178.61 1kk9 h VAL 24 N 1.12 1.31 0.00 1.67 2.07 -0.36 -0.34 116.25 121.72 1kk9 h VAL 24 Ca 0.30 -1.48 -0.03 0.00 0.82 0.00 0.00 66.70 66.31 1kk9 h VAL 24 Cb -0.13 1.68 -0.00 0.00 -1.52 0.00 0.00 31.29 31.31 1kk9 h VAL 24 CO -0.06 0.47 -0.14 0.03 0.02 0.00 0.00 177.57 177.88 1kk9 h ARG 25 N 0.36 0.00 0.00 1.57 3.08 0.02 0.07 114.38 119.47 1kk9 h ARG 25 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.08 1kk9 h ARG 25 Cb 0.87 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.92 1kk9 h ARG 25 CO 0.07 0.14 0.00 1.63 -1.07 0.00 0.00 179.97 180.74 1kk9 n LYS 26 N -4.11 1.00 -0.48 0.04 5.02 -0.23 -4.85 118.16 114.54 1kk9 n LYS 26 Ca -0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.27 1kk9 n LYS 26 Cb 0.22 -1.30 0.00 0.00 -0.02 0.00 0.00 35.03 33.93 1kk9 n LYS 26 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1kk9 n GLY 27 N 0.79 0.73 3.91 0.72 0.00 0.01 -5.07 105.19 106.28 1kk9 n GLY 27 Ca 0.14 -0.27 -0.28 0.00 0.00 0.00 0.00 46.02 45.62 1kk9 n GLY 27 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1kk9 s GLY 28 N -2.24 1.63 -0.14 -0.02 0.00 -0.16 -4.56 107.32 101.83 1kk9 s GLY 28 Ca 0.00 -0.73 -0.00 0.00 0.00 0.00 0.00 44.72 43.99 1kk9 s GLY 28 CO 0.00 -0.30 -0.13 0.14 0.00 0.00 0.00 173.10 172.81 1kk9 s VAL 29 N -3.39 2.96 0.22 1.40 1.01 -1.26 -4.52 120.40 116.82 1kk9 s VAL 29 Ca 0.60 -0.68 0.10 0.00 0.00 0.00 0.00 61.98 62.00 1kk9 s VAL 29 Cb -0.11 -2.25 -0.05 0.00 0.00 0.00 0.00 36.38 33.97 1kk9 s VAL 29 CO 0.47 0.51 -0.20 0.27 0.00 0.00 0.00 175.10 176.16 1kk9 s ILE 30 N 0.57 2.16 -0.20 2.22 -4.36 -0.13 -0.65 121.20 120.81 1kk9 s ILE 30 Ca -0.08 -2.18 -0.04 0.00 -0.26 0.00 0.00 60.65 58.09 1kk9 s ILE 30 Cb -0.16 -2.11 -0.02 0.00 1.25 0.00 0.00 42.46 41.43 1kk9 s ILE 30 CO 0.03 -0.35 -0.03 -0.69 0.24 0.00 0.00 174.94 174.14 1kk9 s VAL 31 N -2.30 3.61 0.08 8.37 1.01 -0.34 -0.51 120.40 130.33 1kk9 s VAL 31 Ca 0.23 -0.43 0.02 0.00 0.00 0.00 0.00 61.98 61.81 1kk9 s VAL 31 Cb -0.05 -2.63 -0.04 0.00 0.00 0.00 0.00 36.38 33.67 1kk9 s VAL 31 CO 0.10 0.44 -0.08 -0.72 0.00 0.00 0.00 175.10 174.84 1kk9 s TYR 32 N 1.14 0.85 0.36 5.22 1.13 -0.04 -0.96 117.35 125.06 1kk9 s TYR 32 Ca 0.02 -0.74 -0.21 0.00 -1.41 0.00 0.00 57.07 54.73 1kk9 s TYR 32 Cb -0.15 -0.49 -0.10 0.00 -1.10 0.00 0.00 41.96 40.12 1kk9 s TYR 32 CO 0.00 -0.11 0.88 -1.25 -2.51 0.00 0.00 175.55 172.57 1kk9 s PRO 33 N -2.96 4.27 0.31 -3.49 0.04 -1.26 -0.34 135.00 131.57 1kk9 s PRO 33 Ca 0.04 1.05 0.03 0.00 0.04 0.00 0.00 61.00 62.17 1kk9 s PRO 33 Cb -0.01 -2.45 -0.04 0.00 0.04 0.00 0.00 34.50 32.05 1kk9 s PRO 33 CO -0.02 0.12 0.16 0.95 0.04 0.00 0.00 177.00 178.25 1kk9 s THR 34 N -1.94 0.35 -0.72 1.26 -4.23 -0.83 -4.09 115.64 105.43 1kk9 s THR 34 Ca 0.56 -2.00 0.19 0.00 -1.18 0.00 0.00 61.69 59.25 1kk9 s THR 34 Cb -0.12 -2.51 0.18 0.00 1.34 0.00 0.00 72.50 71.39 1kk9 s THR 34 CO 0.17 0.00 1.58 -0.90 -0.54 0.00 0.00 174.62 174.93 1kk9 n ASP 35 N -0.96 0.35 -3.17 3.99 5.75 -1.26 -3.57 116.55 117.68 1kk9 n ASP 35 Ca 0.01 0.59 -0.25 0.00 -0.01 0.00 0.00 54.79 55.13 1kk9 n ASP 35 Cb 0.65 -0.66 -0.05 0.00 -1.03 0.00 0.00 41.12 40.02 1kk9 n ASP 35 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1kk9 n SER 36 N -1.89 2.83 0.00 -1.12 7.64 -1.26 -4.84 113.62 114.98 1kk9 n SER 36 Ca 0.03 -3.32 0.00 0.00 1.01 0.00 0.00 58.87 56.59 1kk9 n SER 36 Cb 0.19 -0.62 0.00 0.00 -1.01 0.00 0.00 64.21 62.77 1kk9 n SER 36 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1kk9 n GLY 37 N 0.46 -1.21 3.86 0.23 0.00 -1.23 -4.57 105.19 102.72 1kk9 n GLY 37 Ca 0.28 -1.60 -0.31 0.00 0.00 0.00 0.00 46.02 44.38 1kk9 n GLY 37 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1kk9 s TYR 38 N -1.42 3.53 0.12 1.61 2.02 -0.91 -1.97 117.35 120.34 1kk9 s TYR 38 Ca 0.00 1.34 0.01 0.00 -0.37 0.00 0.00 57.07 58.04 1kk9 s TYR 38 Cb 0.00 -2.72 -0.04 0.00 -0.40 0.00 0.00 41.96 38.80 1kk9 s TYR 38 CO 0.00 -0.49 -0.01 0.00 -1.57 0.00 0.00 175.55 173.49 1kk9 s ALA 39 N -2.85 0.98 -0.09 3.71 0.00 0.54 -0.84 121.76 123.21 1kk9 s ALA 39 Ca 0.56 -1.43 -0.04 0.00 0.00 0.00 0.00 51.96 51.06 1kk9 s ALA 39 Cb -0.10 0.47 -0.04 0.00 0.00 0.00 0.00 23.12 23.45 1kk9 s ALA 39 CO 0.42 -0.35 0.06 -0.51 0.00 0.00 0.00 175.76 175.37 1kk9 s LEU 40 N -3.06 3.89 -0.00 0.00 1.43 -0.24 -0.86 118.68 119.83 1kk9 s LEU 40 Ca 0.18 0.26 -0.11 0.00 -1.03 0.00 0.00 54.13 53.43 1kk9 s LEU 40 Cb 0.07 -1.93 0.01 0.00 0.03 0.00 0.00 46.19 44.37 1kk9 s LEU 40 CO -0.01 0.38 0.22 -0.83 0.23 0.00 0.00 176.35 176.34 1kk9 s GLY 41 N -0.98 -0.05 0.29 -3.19 0.00 0.33 -2.50 107.32 101.23 1kk9 s GLY 41 Ca 0.14 0.07 -0.15 0.00 0.00 0.00 0.00 44.72 44.78 1kk9 s GLY 41 CO 0.03 -0.10 0.60 0.00 0.00 0.00 0.00 173.10 173.64 1kk9 s LYS 43 N -3.66 3.47 0.13 0.00 2.20 -1.26 -1.29 119.74 119.34 1kk9 s LYS 43 Ca 0.18 1.75 -0.18 0.00 -0.36 0.00 0.00 55.97 57.36 1kk9 s LYS 43 Cb -0.03 -2.19 -0.02 0.00 -1.51 0.00 0.00 37.83 34.08 1kk9 s LYS 43 CO 0.10 -0.78 1.77 0.82 -0.36 0.00 0.00 175.35 176.90 1kk9 h ILE 44 N 1.47 1.01 -0.21 5.43 2.04 -1.93 -3.10 117.51 122.23 1kk9 h ILE 44 Ca -0.50 -0.10 0.00 0.00 1.00 0.00 0.00 64.86 65.26 1kk9 h ILE 44 Cb 1.26 0.68 0.00 0.00 -0.74 0.00 0.00 36.82 38.02 1kk9 h ILE 44 CO 0.58 0.06 0.00 -1.84 0.00 0.00 0.00 178.15 176.95 1kk9 n GLU 45 N -4.95 1.56 -2.92 2.37 0.00 -1.26 -4.77 120.64 110.66 1kk9 n GLU 45 Ca -0.02 -0.86 -0.43 0.00 0.00 0.00 0.00 57.16 55.85 1kk9 n GLU 45 Cb 0.06 -1.25 -0.04 0.00 0.00 0.00 0.00 31.44 30.20 1kk9 n GLU 45 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 1kk9 s ASP 46 N -1.18 6.23 0.09 -1.84 -1.08 -1.17 -4.91 116.67 112.80 1kk9 s ASP 46 Ca 0.21 -0.82 -0.21 0.00 -0.52 0.00 0.00 52.55 51.21 1kk9 s ASP 46 Cb 0.11 -2.39 -0.11 0.00 -1.46 0.00 0.00 42.92 39.07 1kk9 s ASP 46 CO 0.16 -1.26 1.67 0.50 0.52 0.00 0.00 175.17 176.76 1kk9 h LYS 47 N 9.36 0.16 -0.49 4.34 3.64 -1.90 -2.99 116.57 128.70 1kk9 h LYS 47 Ca -0.28 -0.02 0.08 0.00 -1.27 0.00 0.00 60.65 59.16 1kk9 h LYS 47 Cb 1.08 -0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 32.80 1kk9 h LYS 47 CO 1.11 0.20 0.11 -0.91 -2.27 0.00 0.00 179.45 177.70 1kk9 h ASN 48 N 0.08 0.04 0.00 4.20 4.21 -1.96 -0.04 115.58 122.11 1kk9 h ASN 48 Ca 0.04 0.08 0.00 0.00 1.21 0.00 0.00 56.30 57.63 1kk9 h ASN 48 Cb 0.09 0.10 0.00 0.00 -1.12 0.00 0.00 38.32 37.39 1kk9 h ASN 48 CO -0.01 0.05 0.00 0.00 -1.29 0.00 0.00 177.43 176.18 1kk9 n ALA 49 N -2.49 1.02 0.00 -0.83 0.00 -1.13 -1.35 120.51 115.73 1kk9 n ALA 49 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1kk9 n ALA 49 Cb 0.23 -0.89 0.00 0.00 0.00 0.00 0.00 19.45 18.79 1kk9 n ALA 49 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1kk9 n GLU 51 N 0.59 0.00 -0.03 0.00 -0.58 -0.03 -1.15 120.64 119.44 1kk9 n GLU 51 Ca 0.00 0.00 -0.11 0.00 -0.42 0.00 0.00 57.16 56.63 1kk9 n GLU 51 Cb 0.00 0.00 -0.05 0.00 -0.57 0.00 0.00 31.44 30.82 1kk9 n GLU 51 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1kk9 h ARG 52 N 0.00 0.20 -0.56 3.49 3.08 -1.48 -2.48 114.38 116.64 1kk9 h ARG 52 Ca 0.00 -0.03 0.02 0.00 0.07 0.00 0.00 59.98 60.04 1kk9 h ARG 52 Cb 0.00 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 29.98 1kk9 h ARG 52 CO 0.00 0.26 0.34 0.82 -1.07 0.00 0.00 179.97 180.32 1kk9 h ILE 53 N 0.09 1.07 -0.98 2.04 2.04 -1.42 -1.83 117.51 118.52 1kk9 h ILE 53 Ca 0.05 -0.23 0.11 0.00 1.00 0.00 0.00 64.86 65.78 1kk9 h ILE 53 Cb 0.13 0.33 -0.08 0.00 -0.74 0.00 0.00 36.82 36.46 1kk9 h ILE 53 CO -0.01 0.12 0.62 0.00 0.00 0.00 0.00 178.15 178.89 1kk9 h ARG 55 N 1.00 0.00 -0.04 0.00 3.08 -0.95 0.35 114.38 117.82 1kk9 h ARG 55 Ca 0.47 0.00 -0.23 0.00 0.07 0.00 0.00 59.98 60.29 1kk9 h ARG 55 Cb 0.43 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.50 1kk9 h ARG 55 CO -0.23 0.75 -0.89 0.82 -1.07 0.00 0.00 179.97 179.36 1kk9 h ILE 56 N 0.00 1.30 0.00 2.04 2.04 -0.53 -3.25 117.51 119.12 1kk9 h ILE 56 Ca -0.01 -2.13 -0.08 0.00 1.00 0.00 0.00 64.86 63.64 1kk9 h ILE 56 Cb 1.45 2.32 -0.01 0.00 -0.74 0.00 0.00 36.82 39.84 1kk9 h ILE 56 CO 0.10 0.66 -0.37 -0.09 0.00 0.00 0.00 178.15 178.44 1kk9 h ARG 57 N 0.34 0.00 -6.26 2.37 9.65 -0.85 -3.46 114.38 116.16 1kk9 h ARG 57 Ca -0.10 0.00 -0.45 0.00 -1.10 0.00 0.00 59.98 58.33 1kk9 h ARG 57 Cb 1.54 0.00 0.03 0.00 -1.39 0.00 0.00 29.97 30.16 1kk9 h ARG 57 CO 0.18 0.37 -0.89 1.04 2.80 0.00 0.00 179.97 183.47 1kk9 n GLN 58 N -3.20 -2.86 -1.68 0.20 1.13 0.12 -4.78 117.38 106.32 1kk9 n GLN 58 Ca 0.02 0.49 -0.47 0.00 -1.94 0.00 0.00 57.00 55.10 1kk9 n GLN 58 Cb 0.68 -4.56 -0.04 0.00 0.11 0.00 0.00 30.24 26.42 1kk9 n GLN 58 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 1kk9 n LEU 59 N -4.25 3.42 -4.73 1.08 4.77 -1.12 -4.92 117.00 111.24 1kk9 n LEU 59 Ca -0.22 1.00 -0.34 0.00 -0.03 0.00 0.00 56.01 56.41 1kk9 n LEU 59 Cb 0.65 -1.40 0.08 0.00 -2.33 0.00 0.00 43.42 40.42 1kk9 n LEU 59 CO 0.70 -0.09 0.80 -2.84 -1.33 0.00 0.00 177.39 174.63 1kk9 s PRO 60 N 3.27 2.34 0.18 3.23 0.02 -1.26 -4.90 135.00 137.87 1kk9 s PRO 60 Ca 0.89 1.72 -0.32 0.00 0.02 0.00 0.00 61.00 63.31 1kk9 s PRO 60 Cb -0.67 -1.86 -0.11 0.00 0.02 0.00 0.00 34.50 31.88 1kk9 s PRO 60 CO 0.47 -1.68 1.66 0.34 -0.33 0.00 0.00 177.00 177.46 1kk9 s ASP 61 N -2.06 6.48 0.00 2.53 -1.08 -1.26 -1.35 116.67 119.94 1kk9 s ASP 61 Ca 0.74 2.74 0.00 0.00 -0.52 0.00 0.00 52.55 55.50 1kk9 s ASP 61 Cb -0.28 -2.59 0.00 0.00 -1.46 0.00 0.00 42.92 38.59 1kk9 s ASP 61 CO 0.43 -0.90 0.00 0.61 0.52 0.00 0.00 175.17 175.83 1kk9 n GLY 62 N 3.89 1.43 3.75 2.66 0.00 -1.26 -5.04 105.19 110.62 1kk9 n GLY 62 Ca 0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 1kk9 n GLY 62 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1kk9 s HIS 63 N -2.35 3.84 0.45 1.61 2.46 -0.45 -5.04 115.29 115.81 1kk9 s HIS 63 Ca 0.00 1.69 -0.14 0.00 0.47 0.00 0.00 55.06 57.08 1kk9 s HIS 63 Cb 0.00 -2.91 -0.07 0.00 -0.13 0.00 0.00 32.58 29.47 1kk9 s HIS 63 CO 0.00 0.34 0.87 -0.80 -2.47 0.00 0.00 174.74 172.67 1kk9 s ASN 64 N -0.46 6.59 0.89 9.88 -0.87 -1.26 -4.86 114.94 124.84 1kk9 s ASN 64 Ca 0.41 1.34 -0.14 0.00 -1.57 0.00 0.00 52.86 52.90 1kk9 s ASN 64 Cb -0.23 -2.41 0.14 0.00 -0.02 0.00 0.00 41.25 38.73 1kk9 s ASN 64 CO 0.27 -0.47 1.23 -0.36 -2.57 0.00 0.00 177.10 175.20 1kk9 s PHE 65 N -2.46 2.31 0.02 2.20 0.08 -1.26 -4.77 117.98 114.09 1kk9 s PHE 65 Ca 0.55 0.59 0.06 0.00 0.12 0.00 0.00 56.93 58.25 1kk9 s PHE 65 Cb -0.10 -3.72 -0.02 0.00 -0.57 0.00 0.00 43.02 38.61 1kk9 s PHE 65 CO 0.30 -2.24 -0.18 0.99 -0.10 0.00 0.00 175.22 173.99 1kk9 s THR 66 N -3.65 1.42 0.00 0.64 2.01 0.71 -0.89 115.64 115.87 1kk9 s THR 66 Ca 0.67 -0.94 0.00 0.00 0.31 0.00 0.00 61.69 61.73 1kk9 s THR 66 Cb -0.09 -1.21 0.00 0.00 0.01 0.00 0.00 72.50 71.21 1kk9 s THR 66 CO 0.51 0.26 0.00 0.18 -0.69 0.00 0.00 174.62 174.88 1kk9 n LEU 67 N 2.25 0.00 0.00 4.42 4.77 0.21 0.32 117.00 128.97 1kk9 n LEU 67 Ca -0.16 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.82 1kk9 n LEU 67 Cb 0.54 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.63 1kk9 n LEU 67 CO 0.23 -0.04 0.00 0.00 -1.33 0.00 0.00 177.39 176.25 1kk9 h ARG 70 N 0.00 0.77 -2.93 0.00 3.08 -1.92 -3.35 114.38 110.03 1kk9 h ARG 70 Ca 0.00 -0.32 0.00 0.00 0.07 0.00 0.00 59.98 59.73 1kk9 h ARG 70 Cb 0.00 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.02 1kk9 h ARG 70 CO 0.00 0.94 0.33 0.16 -1.07 0.00 0.00 179.97 180.33 1kk9 s ASP 71 N -6.45 0.03 0.44 7.04 1.47 -1.26 -4.85 116.67 113.10 1kk9 s ASP 71 Ca -0.12 -1.12 0.10 0.00 1.18 0.00 0.00 52.55 52.58 1kk9 s ASP 71 Cb 0.10 0.81 0.98 0.00 -0.34 0.00 0.00 42.92 44.47 1kk9 s ASP 71 CO 0.82 -1.61 2.07 -0.07 0.68 0.00 0.00 175.17 177.07 1kk9 h LEU 72 N 2.00 0.30 0.32 2.11 3.38 -1.98 -1.56 115.31 119.88 1kk9 h LEU 72 Ca -0.33 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.61 1kk9 h LEU 72 Cb 1.24 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.92 1kk9 h LEU 72 CO 0.42 0.24 -0.16 -1.28 0.09 0.00 0.00 178.44 177.75 1kk9 h SER 73 N 0.35 -0.37 -0.73 -0.43 0.87 -1.99 -0.12 113.55 111.13 1kk9 h SER 73 Ca 0.09 -0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.65 1kk9 h SER 73 Cb -0.00 0.10 -0.04 0.00 -0.44 0.00 0.00 62.40 62.02 1kk9 h SER 73 CO -0.02 -0.25 0.46 -0.08 -0.53 0.00 0.00 176.83 176.41 1kk9 h GLU 74 N -0.46 0.98 -0.92 2.24 4.81 -1.88 -2.43 114.58 116.93 1kk9 h GLU 74 Ca -0.04 -0.08 0.06 0.00 -0.13 0.00 0.00 59.36 59.16 1kk9 h GLU 74 Cb 0.35 -0.21 -0.06 0.00 0.63 0.00 0.00 28.75 29.46 1kk9 h GLU 74 CO 0.07 0.68 0.58 1.25 -0.73 0.00 0.00 179.01 180.87 1kk9 h LEU 75 N 1.00 0.94 0.00 1.64 6.46 -1.04 -0.59 115.31 123.72 1kk9 h LEU 75 Ca 0.26 0.01 0.00 0.00 -0.12 0.00 0.00 57.88 58.03 1kk9 h LEU 75 Cb -0.06 -0.19 0.00 0.00 -0.73 0.00 0.00 40.66 39.68 1kk9 h LEU 75 CO -0.05 0.61 0.00 -1.20 -0.62 0.00 0.00 178.44 177.18 1kk9 n SER 76 N -4.56 0.00 0.05 1.25 7.64 -0.08 -1.62 113.62 116.30 1kk9 n SER 76 Ca 0.13 0.46 -0.17 0.00 1.01 0.00 0.00 58.87 60.29 1kk9 n SER 76 Cb 0.16 -0.48 -0.14 0.00 -1.01 0.00 0.00 64.21 62.74 1kk9 n SER 76 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 1kk9 h THR 77 N 0.00 1.02 0.00 0.44 2.02 -1.00 -3.37 112.91 112.02 1kk9 h THR 77 Ca 0.00 -2.69 0.00 0.00 0.77 0.00 0.00 66.41 64.49 1kk9 h THR 77 Cb 0.21 2.69 0.00 0.00 -1.74 0.00 0.00 68.15 69.31 1kk9 h THR 77 CO 0.00 0.80 -0.68 -1.22 0.37 0.00 0.00 175.52 174.79 1kk9 n TYR 78 N -3.43 0.08 -4.03 3.16 4.02 -0.88 -4.71 117.16 111.37 1kk9 n TYR 78 Ca -0.20 0.02 -0.08 0.00 -0.01 0.00 0.00 57.90 57.64 1kk9 n TYR 78 Cb 1.05 -0.26 -0.10 0.00 -0.02 0.00 0.00 39.34 40.01 1kk9 n TYR 78 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 1kk9 s SER 79 N -3.23 0.37 -0.40 7.72 1.04 -0.64 -0.35 113.70 118.22 1kk9 s SER 79 Ca 0.09 -0.82 -0.28 0.00 0.48 0.00 0.00 55.95 55.42 1kk9 s SER 79 Cb 0.16 0.20 0.02 0.00 0.10 0.00 0.00 66.02 66.50 1kk9 s SER 79 CO 0.75 -0.54 1.05 -0.36 0.98 0.00 0.00 173.24 175.11 1kk9 s PHE 80 N -3.29 2.99 -0.22 5.02 0.40 -0.30 -4.49 117.98 118.07 1kk9 s PHE 80 Ca 0.01 0.84 0.02 0.00 -0.60 0.00 0.00 56.93 57.20 1kk9 s PHE 80 Cb 0.03 -3.98 0.04 0.00 0.51 0.00 0.00 43.02 39.63 1kk9 s PHE 80 CO -0.08 -1.00 -0.15 0.08 0.70 0.00 0.00 175.22 174.78 1kk9 s VAL 81 N 3.91 2.14 0.74 -0.44 1.01 -1.26 -4.59 120.40 121.90 1kk9 s VAL 81 Ca 0.44 -1.32 -0.01 0.00 0.00 0.00 0.00 61.98 61.09 1kk9 s VAL 81 Cb -0.10 -2.10 0.15 0.00 0.00 0.00 0.00 36.38 34.33 1kk9 s VAL 81 CO 0.23 0.22 1.01 -0.90 0.00 0.00 0.00 175.10 175.66 1kk9 n ASP 82 N 4.52 1.33 -0.20 3.32 5.68 -1.26 -4.84 116.55 125.10 1kk9 n ASP 82 Ca -0.17 -2.13 -0.00 0.00 -0.50 0.00 0.00 54.79 51.98 1kk9 n ASP 82 Cb 0.46 -0.66 0.10 0.00 -1.14 0.00 0.00 41.12 39.88 1kk9 n ASP 82 CO 0.00 0.00 0.00 0.78 -1.33 0.00 0.00 177.20 176.65 1kk9 h ASN 83 N -0.62 0.29 -0.24 -1.12 -0.26 -1.99 -1.09 115.58 110.54 1kk9 h ASN 83 Ca -0.33 0.07 -0.03 0.00 -0.56 0.00 0.00 56.30 55.45 1kk9 h ASN 83 Cb 1.23 0.03 -0.01 0.00 -1.06 0.00 0.00 38.32 38.51 1kk9 h ASN 83 CO 0.36 0.17 0.05 0.58 -1.06 0.00 0.00 177.43 177.53 1kk9 h VAL 84 N 0.45 1.22 -0.04 2.81 2.07 -1.99 -0.50 116.25 120.27 1kk9 h VAL 84 Ca 0.30 -0.71 0.03 0.00 0.82 0.00 0.00 66.70 67.15 1kk9 h VAL 84 Cb 0.34 1.22 -0.04 0.00 -1.52 0.00 0.00 31.29 31.28 1kk9 h VAL 84 CO -0.28 0.23 -0.22 0.00 0.02 0.00 0.00 177.57 177.32 1kk9 h ALA 85 N 0.87 -0.25 -0.82 1.67 0.00 -1.83 -0.94 119.26 117.96 1kk9 h ALA 85 Ca 0.08 0.01 0.10 0.00 0.00 0.00 0.00 54.91 55.10 1kk9 h ALA 85 Cb 0.29 0.39 -0.08 0.00 0.00 0.00 0.00 17.79 18.40 1kk9 h ALA 85 CO 0.00 -0.70 0.46 0.35 0.00 0.00 0.00 179.25 179.36 1kk9 h PHE 86 N -0.32 0.82 -0.89 0.00 3.57 -1.08 -1.58 116.94 117.47 1kk9 h PHE 86 Ca 0.07 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.63 1kk9 h PHE 86 Cb 0.42 -0.25 -0.05 0.00 2.79 0.00 0.00 35.95 38.86 1kk9 h PHE 86 CO -0.28 0.31 0.58 0.00 -2.23 0.00 0.00 178.31 176.70 1kk9 h ARG 87 N 0.75 1.11 -0.69 1.11 3.08 -0.25 0.20 114.38 119.69 1kk9 h ARG 87 Ca 0.40 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.39 1kk9 h ARG 87 Cb 0.41 -0.25 0.00 0.00 0.08 0.00 0.00 29.97 30.21 1kk9 h ARG 87 CO -0.27 0.73 0.00 1.28 -1.07 0.00 0.00 179.97 180.65 1kk9 n LEU 88 N -4.51 0.71 0.00 3.04 4.77 -0.44 -4.37 117.00 116.20 1kk9 n LEU 88 Ca 0.11 -0.35 0.00 0.00 -0.03 0.00 0.00 56.01 55.73 1kk9 n LEU 88 Cb 0.07 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 40.82 1kk9 n LEU 88 CO 0.35 0.17 0.00 1.17 -1.33 0.00 0.00 177.39 177.75 1kk9 n LYS 90 N 0.17 0.00 -0.06 3.23 4.81 0.68 -4.21 118.16 122.79 1kk9 n LYS 90 Ca 0.00 0.00 0.12 0.00 -0.87 0.00 0.00 58.31 57.56 1kk9 n LYS 90 Cb 0.17 0.00 0.37 0.00 0.02 0.00 0.00 35.03 35.59 1kk9 n LYS 90 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1kk9 n ASN 91 N 0.00 2.02 -2.30 3.14 3.02 -1.26 -4.06 115.26 115.81 1kk9 n ASN 91 Ca 0.00 -1.72 -0.27 0.00 -0.03 0.00 0.00 54.58 52.56 1kk9 n ASN 91 Cb 0.00 -0.08 0.02 0.00 -0.61 0.00 0.00 39.78 39.11 1kk9 n ASN 91 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1kk9 n ASN 92 N 0.56 5.20 -3.73 6.41 4.13 -1.26 -4.98 115.26 121.60 1kk9 n ASN 92 Ca 0.17 -3.75 -0.14 0.00 1.68 0.00 0.00 54.58 52.55 1kk9 n ASN 92 Cb 0.41 -0.49 -0.09 0.00 -1.54 0.00 0.00 39.78 38.07 1kk9 n ASN 92 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 1kk9 s THR 93 N -5.06 0.02 0.69 3.41 2.01 -1.26 -4.74 115.64 110.73 1kk9 s THR 93 Ca 0.51 -0.19 -0.04 0.00 0.31 0.00 0.00 61.69 62.28 1kk9 s THR 93 Cb 0.41 -0.61 0.09 0.00 0.01 0.00 0.00 72.50 72.40 1kk9 s THR 93 CO -0.09 -0.10 0.97 -2.16 -0.69 0.00 0.00 174.62 172.54 1kk9 s PRO 94 N -0.49 1.99 0.00 4.92 0.04 -1.26 -5.03 135.00 135.16 1kk9 s PRO 94 Ca -0.06 -0.67 0.00 0.00 0.04 0.00 0.00 61.00 60.31 1kk9 s PRO 94 Cb -0.04 -2.27 0.00 0.00 0.04 0.00 0.00 34.50 32.23 1kk9 s PRO 94 CO 0.03 -1.27 0.00 0.41 0.04 0.00 0.00 177.00 176.21 1kk9 n GLY 95 N -2.82 -1.73 4.93 0.56 0.00 0.16 -4.70 105.19 101.59 1kk9 n GLY 95 Ca 0.11 -1.53 0.00 0.00 0.00 0.00 0.00 46.02 44.59 1kk9 n GLY 95 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1kk9 n ASN 96 N -2.29 0.00 -4.15 1.61 3.02 -1.26 -4.91 115.26 107.28 1kk9 n ASN 96 Ca 0.00 0.00 -0.13 0.00 -0.03 0.00 0.00 54.58 54.42 1kk9 n ASN 96 Cb 0.00 -1.47 -0.11 0.00 -0.61 0.00 0.00 39.78 37.59 1kk9 n ASN 96 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1kk9 s TYR 97 N -0.97 0.92 -0.10 3.10 2.02 -1.26 -0.75 117.35 120.30 1kk9 s TYR 97 Ca 0.00 -0.69 -0.00 0.00 -0.37 0.00 0.00 57.07 56.01 1kk9 s TYR 97 Cb 0.00 -0.52 0.02 0.00 -0.40 0.00 0.00 41.96 41.06 1kk9 s TYR 97 CO 0.00 -0.06 -0.07 0.99 -1.57 0.00 0.00 175.55 174.83 1kk9 s THR 98 N -2.52 0.93 -0.23 -0.71 2.01 -0.42 -4.42 115.64 110.27 1kk9 s THR 98 Ca 0.03 -0.25 -0.06 0.00 0.31 0.00 0.00 61.69 61.72 1kk9 s THR 98 Cb -0.02 -0.95 -0.02 0.00 0.01 0.00 0.00 72.50 71.52 1kk9 s THR 98 CO -0.01 0.34 0.03 -0.36 -0.69 0.00 0.00 174.62 173.93 1kk9 s PHE 99 N 1.53 3.04 -0.29 4.92 0.08 -1.26 -1.15 117.98 124.85 1kk9 s PHE 99 Ca 0.01 -0.58 -0.24 0.00 0.12 0.00 0.00 56.93 56.23 1kk9 s PHE 99 Cb -0.13 -2.18 0.00 0.00 -0.57 0.00 0.00 43.02 40.14 1kk9 s PHE 99 CO -0.05 -0.40 0.83 0.42 -0.10 0.00 0.00 175.22 175.91 1kk9 s ILE 100 N 1.49 4.78 0.29 0.64 1.01 -0.33 -4.40 121.20 124.67 1kk9 s ILE 100 Ca 0.06 1.36 0.02 0.00 0.00 0.00 0.00 60.65 62.09 1kk9 s ILE 100 Cb -0.15 -4.16 -0.04 0.00 0.01 0.00 0.00 42.46 38.12 1kk9 s ILE 100 CO 0.01 -0.21 0.13 -0.76 0.00 0.00 0.00 174.94 174.11 1kk9 s LEU 101 N 2.99 1.67 0.02 2.97 1.43 -0.82 -1.20 118.68 125.74 1kk9 s LEU 101 Ca 0.34 -1.49 -0.28 0.00 -1.03 0.00 0.00 54.13 51.68 1kk9 s LEU 101 Cb -0.14 0.11 -0.04 0.00 0.03 0.00 0.00 46.19 46.14 1kk9 s LEU 101 CO 0.11 -0.82 0.88 -0.54 0.23 0.00 0.00 176.35 176.21 1kk9 s LYS 102 N -3.91 4.56 0.38 1.70 -0.14 -1.26 -1.03 119.74 120.04 1kk9 s LYS 102 Ca 0.36 1.26 -0.24 0.00 -1.36 0.00 0.00 55.97 55.99 1kk9 s LYS 102 Cb 0.06 -3.42 -0.10 0.00 -1.68 0.00 0.00 37.83 32.69 1kk9 s LYS 102 CO 0.16 0.10 0.98 0.20 -0.76 0.00 0.00 175.35 176.02 1kk9 s GLY 103 N 0.53 2.66 0.43 -3.33 0.00 -0.94 -1.16 107.32 105.52 1kk9 s GLY 103 Ca 0.46 0.54 -0.04 0.00 0.00 0.00 0.00 44.72 45.67 1kk9 s GLY 103 CO 0.26 0.93 0.58 -1.30 0.00 0.00 0.00 173.10 173.57 1kk9 n THR 104 N 0.00 0.00 0.35 0.90 -2.24 0.53 -4.79 114.28 109.03 1kk9 n THR 104 Ca 0.04 -0.62 0.13 0.00 -2.27 0.00 0.00 64.05 61.34 1kk9 n THR 104 Cb 0.51 -1.47 0.57 0.00 -2.10 0.00 0.00 70.33 67.84 1kk9 n THR 104 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 1kk9 h LYS 105 N 0.00 0.00 0.00 -0.78 2.10 -1.88 -2.50 116.57 113.50 1kk9 h LYS 105 Ca -0.19 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.46 1kk9 h LYS 105 Cb 0.60 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.93 1kk9 h LYS 105 CO 0.16 0.00 0.00 0.39 -2.00 0.00 0.00 179.45 178.00 1kk9 n GLU 106 N -2.46 0.01 -3.61 0.07 -0.58 -1.26 -4.67 120.64 108.14 1kk9 n GLU 106 Ca 0.01 0.19 -0.37 0.00 -0.42 0.00 0.00 57.16 56.57 1kk9 n GLU 106 Cb 0.22 -1.51 -0.10 0.00 -0.57 0.00 0.00 31.44 29.48 1kk9 n GLU 106 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1kk9 s VAL 107 N -3.01 5.32 0.09 2.62 1.01 -0.94 -5.03 120.40 120.46 1kk9 s VAL 107 Ca 0.09 0.22 -0.36 0.00 0.00 0.00 0.00 61.98 61.92 1kk9 s VAL 107 Cb 0.12 -3.53 -0.16 0.00 0.00 0.00 0.00 36.38 32.80 1kk9 s VAL 107 CO 0.34 0.29 1.37 -2.65 0.00 0.00 0.00 175.10 174.46 1kk9 n PRO 108 N 4.65 1.27 0.03 2.72 -0.02 -1.26 -4.80 135.00 137.59 1kk9 n PRO 108 Ca -0.14 0.46 0.17 0.00 -2.02 0.00 0.00 63.50 61.96 1kk9 n PRO 108 Cb 0.52 -2.12 0.65 0.00 -0.02 0.00 0.00 33.50 32.53 1kk9 n PRO 108 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1kk9 h ARG 109 N 4.74 0.07 0.00 -0.52 3.08 -1.94 -0.20 114.38 119.61 1kk9 h ARG 109 Ca -0.47 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.57 1kk9 h ARG 109 Cb 1.33 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.36 1kk9 h ARG 109 CO 0.79 0.04 0.00 2.89 -1.07 0.00 0.00 179.97 182.63 1kk9 n ARG 110 N -4.43 0.17 0.07 0.04 1.85 -1.26 -2.33 116.66 110.76 1kk9 n ARG 110 Ca 0.07 0.43 0.11 0.00 -1.00 0.00 0.00 57.85 57.47 1kk9 n ARG 110 Cb 0.47 -1.84 0.03 0.00 -1.05 0.00 0.00 32.46 30.07 1kk9 n ARG 110 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 1kk9 n LEU 111 N -2.16 0.69 -4.80 2.89 4.77 -0.09 -4.91 117.00 113.39 1kk9 n LEU 111 Ca 0.02 0.19 -0.35 0.00 -0.03 0.00 0.00 56.01 55.84 1kk9 n LEU 111 Cb 0.20 -0.09 -0.07 0.00 -2.33 0.00 0.00 43.42 41.13 1kk9 n LEU 111 CO 0.18 -0.08 0.61 -0.76 -1.33 0.00 0.00 177.39 176.00 1kk9 s LEU 112 N -4.67 4.18 -0.17 2.23 1.43 -0.99 -4.46 118.68 116.23 1kk9 s LEU 112 Ca 0.01 1.71 -0.29 0.00 -1.03 0.00 0.00 54.13 54.53 1kk9 s LEU 112 Cb 0.12 -4.17 -0.04 0.00 0.03 0.00 0.00 46.19 42.13 1kk9 s LEU 112 CO 0.79 -0.17 1.69 -1.58 0.23 0.00 0.00 176.35 177.30 1kk9 s GLN 113 N -2.52 3.84 0.23 1.70 -0.44 -0.14 -4.81 119.66 117.51 1kk9 s GLN 113 Ca 0.54 1.85 -0.12 0.00 -2.50 0.00 0.00 55.36 55.14 1kk9 s GLN 113 Cb -0.14 -4.06 0.30 0.00 -1.64 0.00 0.00 33.01 27.47 1kk9 s GLN 113 CO 0.19 -1.25 1.39 -0.85 0.50 0.00 0.00 175.29 175.27 1kk9 n GLU 114 N 7.63 -0.15 0.00 1.67 0.28 -1.26 0.13 120.64 128.93 1kk9 n GLU 114 Ca 0.19 1.38 0.00 0.00 -0.16 0.00 0.00 57.16 58.58 1kk9 n GLU 114 Cb 0.44 -2.06 0.00 0.00 1.43 0.00 0.00 31.44 31.26 1kk9 n GLU 114 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1kk9 n LYS 115 N -5.38 0.00 -0.02 3.44 5.02 -1.26 -4.01 118.16 115.96 1kk9 n LYS 115 Ca 0.11 0.13 0.13 0.00 -2.02 0.00 0.00 58.31 56.66 1kk9 n LYS 115 Cb 0.40 -0.98 0.61 0.00 -0.02 0.00 0.00 35.03 35.04 1kk9 n LYS 115 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1kk9 n ARG 116 N -0.61 1.37 -3.79 1.97 1.74 -1.15 -4.93 116.66 111.26 1kk9 n ARG 116 Ca 0.00 -0.54 -0.26 0.00 -0.77 0.00 0.00 57.85 56.28 1kk9 n ARG 116 Cb 0.00 -1.43 0.03 0.00 -1.02 0.00 0.00 32.46 30.05 1kk9 n ARG 116 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1kk9 n LYS 117 N -0.30 -5.47 -3.66 5.56 4.76 0.34 -4.90 118.16 114.49 1kk9 n LYS 117 Ca 0.19 0.63 -0.23 0.00 -2.87 0.00 0.00 58.31 56.02 1kk9 n LYS 117 Cb 0.22 -5.39 -0.01 0.00 -1.84 0.00 0.00 35.03 28.02 1kk9 n LYS 117 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1kk9 s THR 118 N -3.47 2.06 -0.15 -0.18 -4.23 -1.23 -2.21 115.64 106.24 1kk9 s THR 118 Ca 0.35 -1.37 -0.30 0.00 -1.18 0.00 0.00 61.69 59.19 1kk9 s THR 118 Cb -0.17 -2.44 0.13 0.00 1.34 0.00 0.00 72.50 71.36 1kk9 s THR 118 CO 0.81 0.00 1.01 -0.51 -0.54 0.00 0.00 174.62 175.39 1kk9 s ILE 119 N -2.66 0.00 0.13 2.99 2.07 -0.20 -0.97 121.20 122.57 1kk9 s ILE 119 Ca 0.43 0.00 -0.01 0.00 -1.41 0.00 0.00 60.65 59.66 1kk9 s ILE 119 Cb -0.03 -1.00 0.03 0.00 0.13 0.00 0.00 42.46 41.59 1kk9 s ILE 119 CO 0.26 0.00 0.18 0.61 -1.91 0.00 0.00 174.94 174.08 1kk9 n GLY 120 N 0.61 -0.36 0.00 1.50 0.00 -0.07 -1.95 105.19 104.91 1kk9 n GLY 120 Ca -0.09 -1.80 0.00 0.00 0.00 0.00 0.00 46.02 44.13 1kk9 n GLY 120 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1kk9 n ARG 122 N -1.37 0.00 -3.79 1.61 0.63 -0.57 0.66 116.66 113.83 1kk9 n ARG 122 Ca 0.03 0.00 -0.37 0.00 -0.92 0.00 0.00 57.85 56.58 1kk9 n ARG 122 Cb 0.09 0.00 -0.13 0.00 0.45 0.00 0.00 32.46 32.87 1kk9 n ARG 122 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 1kk9 s VAL 123 N 0.00 3.58 0.53 5.15 1.01 -1.26 0.23 120.40 129.65 1kk9 s VAL 123 Ca 0.00 -1.24 -0.18 0.00 0.00 0.00 0.00 61.98 60.56 1kk9 s VAL 123 Cb 0.00 -3.06 -0.07 0.00 0.00 0.00 0.00 36.38 33.26 1kk9 s VAL 123 CO 0.00 -0.19 1.05 -2.16 0.00 0.00 0.00 175.10 173.80 1kk9 s PRO 124 N 1.36 3.61 0.00 2.72 0.04 -1.26 0.38 135.00 141.85 1kk9 s PRO 124 Ca -0.02 1.29 0.17 0.00 0.04 0.00 0.00 61.00 62.49 1kk9 s PRO 124 Cb -0.20 -2.07 -0.12 0.00 0.04 0.00 0.00 34.50 32.15 1kk9 s PRO 124 CO 0.02 -0.58 0.79 -1.13 0.04 0.00 0.00 177.00 176.14 1kk9 n SER 125 N -1.40 1.14 -4.80 6.66 3.41 -1.26 -4.46 113.62 112.91 1kk9 n SER 125 Ca 0.09 -1.07 -0.38 0.00 -0.26 0.00 0.00 58.87 57.25 1kk9 n SER 125 Cb 0.53 0.81 -0.06 0.00 -0.26 0.00 0.00 64.21 65.23 1kk9 n SER 125 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1kk9 s ASN 126 N -2.42 7.21 0.20 4.04 4.22 -1.26 -4.96 114.94 121.97 1kk9 s ASN 126 Ca 0.09 1.52 -0.16 0.00 -2.14 0.00 0.00 52.86 52.17 1kk9 s ASN 126 Cb 0.13 -2.45 0.20 0.00 1.28 0.00 0.00 41.25 40.41 1kk9 s ASN 126 CO 0.61 0.12 1.61 -0.65 -2.04 0.00 0.00 177.10 176.75 1kk9 h PRO 127 N 3.88 -0.07 -0.03 3.55 0.11 -1.91 -1.16 132.00 136.37 1kk9 h PRO 127 Ca -0.48 0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.66 1kk9 h PRO 127 Cb 1.20 0.02 -0.03 0.00 0.11 0.00 0.00 31.00 32.30 1kk9 h PRO 127 CO 0.65 -0.05 -0.10 0.82 -0.21 0.00 0.00 178.00 179.12 1kk9 h ILE 128 N -0.07 0.74 -0.26 4.15 2.04 -1.86 0.27 117.51 122.51 1kk9 h ILE 128 Ca 0.28 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.14 1kk9 h ILE 128 Cb 0.51 0.74 -0.01 0.00 -0.74 0.00 0.00 36.82 37.31 1kk9 h ILE 128 CO -0.66 0.00 0.16 0.00 0.00 0.00 0.00 178.15 177.65 1kk9 h ALA 129 N 0.85 0.33 -0.91 1.87 0.00 -1.63 -0.37 119.26 119.40 1kk9 h ALA 129 Ca 0.05 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.96 1kk9 h ALA 129 Cb 0.22 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.85 1kk9 h ALA 129 CO -0.13 -0.17 0.59 1.96 0.00 0.00 0.00 179.25 181.50 1kk9 h GLN 130 N 0.34 1.11 -0.33 0.00 1.08 -0.93 -1.40 115.11 114.99 1kk9 h GLN 130 Ca 0.10 -0.07 -0.10 0.00 -1.45 0.00 0.00 58.65 57.13 1kk9 h GLN 130 Cb -0.01 -0.25 -0.01 0.00 -0.05 0.00 0.00 27.48 27.16 1kk9 h GLN 130 CO -0.02 0.74 -0.22 0.00 -0.95 0.00 0.00 178.83 178.38 1kk9 h ALA 131 N 1.37 1.00 -0.38 3.87 0.00 0.02 -1.15 119.26 124.00 1kk9 h ALA 131 Ca 0.36 -0.35 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 1kk9 h ALA 131 Cb -0.00 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1kk9 h ALA 131 CO -0.12 0.59 0.08 -0.07 0.00 0.00 0.00 179.25 179.74 1kk9 h LEU 132 N 0.55 0.59 -0.44 0.00 3.38 -0.43 -1.93 115.31 117.03 1kk9 h LEU 132 Ca 0.08 -0.24 -0.06 0.00 0.09 0.00 0.00 57.88 57.75 1kk9 h LEU 132 Cb 0.68 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 1kk9 h LEU 132 CO 0.05 0.68 0.02 -0.07 0.09 0.00 0.00 178.44 179.21 1kk9 h LEU 133 N 0.47 0.74 -0.75 1.67 3.38 -1.11 -0.98 115.31 118.72 1kk9 h LEU 133 Ca 0.12 -0.29 0.04 0.00 0.09 0.00 0.00 57.88 57.83 1kk9 h LEU 133 Cb 0.33 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.83 1kk9 h LEU 133 CO 0.00 0.85 0.47 -0.08 0.09 0.00 0.00 178.44 179.77 1kk9 h GLU 134 N 0.60 0.88 -0.24 1.13 4.57 -1.12 0.19 114.58 120.60 1kk9 h GLU 134 Ca 0.13 -0.05 -0.12 0.00 -1.18 0.00 0.00 59.36 58.13 1kk9 h GLU 134 Cb 0.46 -0.20 -0.01 0.00 -0.16 0.00 0.00 28.75 28.84 1kk9 h GLU 134 CO 0.02 0.58 -0.36 0.00 -1.18 0.00 0.00 179.01 178.07 1kk9 h ALA 135 N 1.33 0.93 -0.13 2.92 0.00 -1.15 -3.16 119.26 120.00 1kk9 h ALA 135 Ca 0.31 -0.41 -0.20 0.00 0.00 0.00 0.00 54.91 54.60 1kk9 h ALA 135 Cb 0.04 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1kk9 h ALA 135 CO -0.12 0.62 -0.73 1.25 0.00 0.00 0.00 179.25 180.27 1kk9 h LEU 136 N 0.44 0.75 0.00 0.00 5.85 -0.31 -3.48 115.31 118.55 1kk9 h LEU 136 Ca 0.05 -0.48 0.00 0.00 0.84 0.00 0.00 57.88 58.29 1kk9 h LEU 136 Cb 0.84 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.65 1kk9 h LEU 136 CO 0.07 1.25 0.00 0.61 -0.34 0.00 0.00 178.44 180.03 1kk9 n GLY 137 N 0.59 0.63 3.82 3.75 0.00 0.58 -4.99 105.19 109.57 1kk9 n GLY 137 Ca -0.06 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.91 1kk9 n GLY 137 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1kk9 s GLU 138 N -0.14 1.61 0.00 1.61 -1.05 -1.26 -5.09 118.70 114.39 1kk9 s GLU 138 Ca 0.00 -0.96 0.00 0.00 -0.15 0.00 0.00 54.97 53.86 1kk9 s GLU 138 Cb 0.00 0.50 0.00 0.00 -0.44 0.00 0.00 34.13 34.19 1kk9 s GLU 138 CO 0.00 -0.75 0.00 -2.30 0.95 0.00 0.00 175.26 173.16 1kk9 n PRO 139 N -0.53 2.94 -4.66 -4.83 -0.02 -1.26 -4.87 135.00 121.78 1kk9 n PRO 139 Ca -0.05 0.00 -0.26 0.00 -2.02 0.00 0.00 63.50 61.17 1kk9 n PRO 139 Cb 0.60 0.00 -0.17 0.00 -0.02 0.00 0.00 33.50 33.91 1kk9 n PRO 139 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1kk9 s LEU 141 N 0.00 1.70 0.29 2.45 2.96 -0.41 -4.52 118.68 121.16 1kk9 s LEU 141 Ca 0.00 -0.35 -0.12 0.00 -0.22 0.00 0.00 54.13 53.45 1kk9 s LEU 141 Cb 0.00 -0.93 0.01 0.00 0.50 0.00 0.00 46.19 45.77 1kk9 s LEU 141 CO 0.00 0.05 0.55 -0.44 -1.32 0.00 0.00 176.35 175.19 1kk9 s SER 142 N 0.66 0.14 0.06 3.68 0.01 0.15 -1.11 113.70 117.29 1kk9 s SER 142 Ca -0.14 -1.06 -0.17 0.00 1.31 0.00 0.00 55.95 55.88 1kk9 s SER 142 Cb -0.16 0.66 0.03 0.00 0.21 0.00 0.00 66.02 66.76 1kk9 s SER 142 CO 0.04 -1.28 0.40 0.42 0.41 0.00 0.00 173.24 173.22 1kk9 s THR 143 N -3.52 0.06 0.68 1.44 -4.23 -1.04 -0.21 115.64 108.83 1kk9 s THR 143 Ca 0.22 -0.51 -0.13 0.00 -1.18 0.00 0.00 61.69 60.09 1kk9 s THR 143 Cb -0.02 -1.00 0.01 0.00 1.34 0.00 0.00 72.50 72.83 1kk9 s THR 143 CO 0.12 -0.28 1.09 -0.44 -0.54 0.00 0.00 174.62 174.56 1kk9 s SER 144 N -2.18 5.13 0.24 3.99 0.01 -1.26 -1.08 113.70 118.54 1kk9 s SER 144 Ca -0.03 1.85 -0.00 0.00 1.31 0.00 0.00 55.95 59.07 1kk9 s SER 144 Cb -0.00 -2.53 -0.04 0.00 0.21 0.00 0.00 66.02 63.66 1kk9 s SER 144 CO -0.04 -1.62 0.43 -0.22 0.41 0.00 0.00 173.24 172.20 1kk9 s LEU 145 N -5.19 4.19 -0.21 2.44 2.96 -0.02 -4.62 118.68 118.23 1kk9 s LEU 145 Ca 0.63 0.40 0.02 0.00 -0.22 0.00 0.00 54.13 54.96 1kk9 s LEU 145 Cb -0.18 -3.19 0.03 0.00 0.50 0.00 0.00 46.19 43.36 1kk9 s LEU 145 CO 0.47 -0.10 -0.17 -0.76 -1.32 0.00 0.00 176.35 174.47 1kk9 s LEU 147 N -3.59 2.56 0.09 -0.68 1.02 -1.18 -0.52 118.68 116.38 1kk9 s LEU 147 Ca 0.39 -0.90 -0.17 0.00 0.02 0.00 0.00 54.13 53.46 1kk9 s LEU 147 Cb -0.10 -1.49 -0.10 0.00 0.02 0.00 0.00 46.19 44.51 1kk9 s LEU 147 CO 0.30 -0.07 0.36 -2.65 0.02 0.00 0.00 176.35 174.32 1kk9 n PRO 148 N 4.56 0.00 0.00 1.29 -0.02 -1.26 -0.41 135.00 139.16 1kk9 n PRO 148 Ca -0.19 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.29 1kk9 n PRO 148 Cb 0.47 -0.63 0.00 0.00 -0.02 0.00 0.00 33.50 33.32 1kk9 n PRO 148 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1kk9 n GLY 149 N 1.09 1.09 3.70 -1.23 0.00 -1.26 -4.94 105.19 103.64 1kk9 n GLY 149 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 1kk9 n GLY 149 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1kk9 s SER 150 N 0.00 3.41 0.00 1.61 0.15 0.45 -4.97 113.70 114.35 1kk9 s SER 150 Ca 0.00 1.78 0.22 0.00 0.70 0.00 0.00 55.95 58.65 1kk9 s SER 150 Cb 0.00 -2.40 0.11 0.00 -1.71 0.00 0.00 66.02 62.02 1kk9 s SER 150 CO 0.00 -2.73 1.14 -0.62 1.20 0.00 0.00 173.24 172.23 1kk9 n GLU 151 N -3.96 1.81 -4.31 5.44 -0.58 -1.26 -4.72 120.64 113.05 1kk9 n GLU 151 Ca 0.09 -1.51 -0.23 0.00 -0.42 0.00 0.00 57.16 55.09 1kk9 n GLU 151 Cb 0.54 -1.42 -0.08 0.00 -0.57 0.00 0.00 31.44 29.91 1kk9 n GLU 151 CO 0.00 0.00 0.00 -0.59 -0.48 0.00 0.00 177.13 176.06 1kk9 s PHE 152 N -2.02 2.64 0.28 -0.32 -0.12 -1.26 -4.54 117.98 112.64 1kk9 s PHE 152 Ca 0.23 -0.24 -0.06 0.00 -0.05 0.00 0.00 56.93 56.80 1kk9 s PHE 152 Cb 0.18 -1.19 -0.06 0.00 -0.63 0.00 0.00 43.02 41.32 1kk9 s PHE 152 CO 0.37 0.62 0.56 0.95 -0.05 0.00 0.00 175.22 177.67 1kk9 s THR 153 N -2.36 4.99 0.45 -4.49 -4.23 0.88 -3.09 115.64 107.79 1kk9 s THR 153 Ca 0.31 0.20 -0.24 0.00 -1.18 0.00 0.00 61.69 60.79 1kk9 s THR 153 Cb -0.06 -3.70 -0.07 0.00 1.34 0.00 0.00 72.50 70.00 1kk9 s THR 153 CO 0.19 -0.27 1.22 -1.61 -0.54 0.00 0.00 174.62 173.62 1kk9 s GLU 154 N -3.37 3.76 0.00 3.99 0.41 0.32 -4.60 118.70 119.22 1kk9 s GLU 154 Ca 0.45 1.92 0.00 0.00 -0.41 0.00 0.00 54.97 56.93 1kk9 s GLU 154 Cb -0.11 -2.50 0.00 0.00 -1.78 0.00 0.00 34.13 29.74 1kk9 s GLU 154 CO 0.28 -0.59 0.00 -1.13 -0.49 0.00 0.00 175.26 173.33 1kk9 n SER 155 N -0.34 0.00 -4.18 -0.19 3.41 -1.26 -2.13 113.62 108.93 1kk9 n SER 155 Ca 0.06 -0.80 -0.35 0.00 -0.26 0.00 0.00 58.87 57.53 1kk9 n SER 155 Cb 0.46 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.27 1kk9 n SER 155 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1kk9 s ASP 156 N 0.00 4.62 0.27 4.04 -1.08 -1.26 -1.84 116.67 121.42 1kk9 s ASP 156 Ca 0.00 -1.12 -0.00 0.00 -0.52 0.00 0.00 52.55 50.91 1kk9 s ASP 156 Cb 0.00 -1.68 0.55 0.00 -1.46 0.00 0.00 42.92 40.33 1kk9 s ASP 156 CO 0.00 -0.20 1.78 -0.65 0.52 0.00 0.00 175.17 176.61 1kk9 h PRO 157 N 7.99 0.67 -0.08 4.34 0.11 -1.95 0.87 132.00 143.95 1kk9 h PRO 157 Ca -0.26 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.80 1kk9 h PRO 157 Cb 1.08 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 32.03 1kk9 h PRO 157 CO 0.54 0.45 -0.00 0.93 -0.21 0.00 0.00 178.00 179.70 1kk9 h GLU 158 N 0.69 0.15 -0.69 1.05 4.39 -1.98 0.86 114.58 119.04 1kk9 h GLU 158 Ca 0.48 -0.05 0.06 0.00 0.34 0.00 0.00 59.36 60.18 1kk9 h GLU 158 Cb 0.64 -0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 29.23 1kk9 h GLU 158 CO -0.35 0.43 0.40 0.93 -1.16 0.00 0.00 179.01 179.26 1kk9 h GLU 159 N -0.14 0.71 -0.81 2.33 5.08 -1.85 0.35 114.58 120.24 1kk9 h GLU 159 Ca 0.02 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 1kk9 h GLU 159 Cb 0.36 -0.16 -0.04 0.00 0.50 0.00 0.00 28.75 29.41 1kk9 h GLU 159 CO 0.01 0.47 0.47 0.82 -1.00 0.00 0.00 179.01 179.77 1kk9 h ILE 160 N 0.73 1.23 -0.57 3.13 2.04 -0.65 -1.76 117.51 121.67 1kk9 h ILE 160 Ca 0.31 -0.54 -0.01 0.00 1.00 0.00 0.00 64.86 65.62 1kk9 h ILE 160 Cb 0.17 0.13 -0.03 0.00 -0.74 0.00 0.00 36.82 36.35 1kk9 h ILE 160 CO -0.18 0.25 0.33 0.50 0.00 0.00 0.00 178.15 179.05 1kk9 h LYS 161 N 1.11 0.78 -0.27 2.37 3.64 0.63 0.11 116.57 124.95 1kk9 h LYS 161 Ca 0.29 -0.08 -0.07 0.00 -1.27 0.00 0.00 60.65 59.52 1kk9 h LYS 161 Cb -0.01 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 31.64 1kk9 h LYS 161 CO -0.05 0.58 -0.13 -0.44 -2.27 0.00 0.00 179.45 177.14 1kk9 h ASP 162 N 0.77 0.43 0.75 4.20 3.32 -0.57 -0.35 116.42 124.97 1kk9 h ASP 162 Ca 0.20 -0.11 -0.25 0.00 0.02 0.00 0.00 57.03 56.89 1kk9 h ASP 162 Cb 0.01 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 39.42 1kk9 h ASP 162 CO -0.04 0.60 -1.30 -0.09 -1.72 0.00 0.00 179.24 176.69 1kk9 h ARG 163 N 0.42 0.06 0.00 3.56 2.43 -0.88 -3.41 114.38 116.55 1kk9 h ARG 163 Ca 0.08 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1kk9 h ARG 163 Cb 0.48 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.06 1kk9 h ARG 163 CO 0.03 0.89 -0.02 1.28 -1.51 0.00 0.00 179.97 180.63 1kk9 n LEU 164 N -3.29 1.32 -0.29 3.80 4.77 0.35 -4.81 117.00 118.84 1kk9 n LEU 164 Ca -0.08 -1.43 0.31 0.00 -0.03 0.00 0.00 56.01 54.78 1kk9 n LEU 164 Cb 0.99 -0.04 0.69 0.00 -2.33 0.00 0.00 43.42 42.74 1kk9 n LEU 164 CO 0.47 0.35 1.29 -0.08 -1.33 0.00 0.00 177.39 178.09 1kk9 h GLU 165 N 0.00 0.08 -0.63 3.23 4.81 -1.22 0.31 114.58 121.16 1kk9 h GLU 165 Ca 0.00 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1kk9 h GLU 165 Cb 0.74 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.10 1kk9 h GLU 165 CO 0.00 0.06 0.00 1.63 -0.73 0.00 0.00 179.01 179.97 1kk9 n LYS 166 N -4.30 2.91 -0.00 1.92 5.02 -1.26 -1.00 118.16 121.45 1kk9 n LYS 166 Ca 0.24 -2.57 0.01 0.00 -2.02 0.00 0.00 58.31 53.97 1kk9 n LYS 166 Cb 1.11 -1.55 -0.02 0.00 -0.02 0.00 0.00 35.03 34.55 1kk9 n LYS 166 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1kk9 n GLN 167 N 1.29 0.85 -4.42 1.97 6.02 0.10 -4.96 117.38 118.24 1kk9 n GLN 167 Ca 0.22 -0.02 -0.22 0.00 -0.01 0.00 0.00 57.00 56.97 1kk9 n GLN 167 Cb 0.62 -1.00 -0.10 0.00 1.02 0.00 0.00 30.24 30.79 1kk9 n GLN 167 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 1kk9 s VAL 168 N -2.04 2.16 -0.32 5.09 -7.23 -0.96 -4.97 120.40 112.13 1kk9 s VAL 168 Ca -0.01 -2.32 0.23 0.00 -1.81 0.00 0.00 61.98 58.07 1kk9 s VAL 168 Cb 0.01 -2.19 0.10 0.00 0.56 0.00 0.00 36.38 34.86 1kk9 s VAL 168 CO 0.09 -0.49 1.22 0.44 -0.31 0.00 0.00 175.10 176.06 1kk9 h ASP 169 N 2.40 0.00 -4.68 4.85 5.19 -1.24 -3.17 116.42 119.76 1kk9 h ASP 169 Ca -0.39 -0.01 -0.08 0.00 -0.62 0.00 0.00 57.03 55.93 1kk9 h ASP 169 Cb 1.24 0.00 -0.20 0.00 0.18 0.00 0.00 39.33 40.55 1kk9 h ASP 169 CO 0.61 0.01 0.02 -0.22 -3.12 0.00 0.00 179.24 176.53 1kk9 s LEU 170 N -5.51 -0.18 -0.08 1.55 2.96 -1.18 -1.95 118.68 114.28 1kk9 s LEU 170 Ca 0.02 0.71 -0.00 0.00 -0.22 0.00 0.00 54.13 54.64 1kk9 s LEU 170 Cb 0.09 2.09 0.02 0.00 0.50 0.00 0.00 46.19 48.89 1kk9 s LEU 170 CO 0.75 -0.45 -0.05 -0.63 -1.32 0.00 0.00 176.35 174.65 1kk9 s ILE 171 N -0.77 0.76 -0.36 6.68 1.01 -0.86 -1.19 121.20 126.46 1kk9 s ILE 171 Ca -0.08 -0.16 -0.13 0.00 0.00 0.00 0.00 60.65 60.28 1kk9 s ILE 171 Cb -0.02 -0.81 0.00 0.00 0.01 0.00 0.00 42.46 41.64 1kk9 s ILE 171 CO 0.06 0.31 0.24 -0.63 0.00 0.00 0.00 174.94 174.92 1kk9 s ILE 172 N 1.53 5.01 -0.47 2.92 1.01 -0.13 -1.22 121.20 129.84 1kk9 s ILE 172 Ca 0.00 -0.52 -0.29 0.00 0.00 0.00 0.00 60.65 59.84 1kk9 s ILE 172 Cb -0.13 -3.68 0.02 0.00 0.01 0.00 0.00 42.46 38.68 1kk9 s ILE 172 CO -0.05 -0.13 1.30 -2.28 0.00 0.00 0.00 174.94 173.78 1kk9 s HIS 173 N 1.65 2.55 -0.19 3.97 5.65 0.24 -4.35 115.29 124.80 1kk9 s HIS 173 Ca 0.05 0.64 0.14 0.00 0.25 0.00 0.00 55.06 56.13 1kk9 s HIS 173 Cb -0.18 -4.39 0.40 0.00 -1.18 0.00 0.00 32.58 27.23 1kk9 s HIS 173 CO 0.09 -1.70 1.25 0.41 -0.65 0.00 0.00 174.74 174.14 1kk9 n GLY 174 N 5.03 4.96 0.00 1.59 0.00 -1.26 -1.51 105.19 113.99 1kk9 n GLY 174 Ca 0.14 -1.23 0.00 0.00 0.00 0.00 0.00 46.02 44.93 1kk9 n GLY 174 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kk9 n GLY 175 N -1.18 1.58 3.54 -0.02 0.00 -1.26 -4.67 105.19 103.18 1kk9 n GLY 175 Ca 0.20 -2.02 -0.43 0.00 0.00 0.00 0.00 46.02 43.77 1kk9 n GLY 175 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1kk9 s TYR 176 N -2.03 3.00 0.49 1.61 1.51 -1.26 -4.68 117.35 116.00 1kk9 s TYR 176 Ca 0.00 0.11 -0.02 0.00 -1.01 0.00 0.00 57.07 56.15 1kk9 s TYR 176 Cb 0.00 -3.60 0.10 0.00 -0.11 0.00 0.00 41.96 38.35 1kk9 s TYR 176 CO 0.00 -0.97 0.67 1.28 -1.11 0.00 0.00 175.55 175.42 1kk9 n LEU 177 N 6.63 0.00 -4.91 -1.29 4.77 -0.77 -5.05 117.00 116.39 1kk9 n LEU 177 Ca 0.01 -1.29 -0.29 0.00 -0.03 0.00 0.00 56.01 54.41 1kk9 n LEU 177 Cb 0.48 -0.44 0.13 0.00 -2.33 0.00 0.00 43.42 41.26 1kk9 n LEU 177 CO 0.58 -0.85 0.82 -0.83 -1.33 0.00 0.00 177.39 175.78 1kk9 s GLY 178 N -4.22 1.67 -0.00 -0.72 0.00 -1.26 -4.78 107.32 98.01 1kk9 s GLY 178 Ca 0.43 -0.88 0.05 0.00 0.00 0.00 0.00 44.72 44.32 1kk9 s GLY 178 CO 0.29 -0.27 0.19 -1.06 0.00 0.00 0.00 173.10 172.25 1kk9 n GLN 179 N -3.53 3.56 -2.60 2.90 6.02 -1.26 -4.08 117.38 118.39 1kk9 n GLN 179 Ca 0.11 -0.02 -0.43 0.00 -0.01 0.00 0.00 57.00 56.66 1kk9 n GLN 179 Cb 0.60 -0.88 -0.02 0.00 1.02 0.00 0.00 30.24 30.96 1kk9 n GLN 179 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 1kk9 s LYS 180 N -1.80 4.30 1.06 -1.09 2.47 -1.26 -0.08 119.74 123.34 1kk9 s LYS 180 Ca 0.01 1.46 -0.15 0.00 -1.56 0.00 0.00 55.97 55.73 1kk9 s LYS 180 Cb 0.04 -3.63 0.22 0.00 -1.46 0.00 0.00 37.83 33.00 1kk9 s LYS 180 CO 0.22 -0.55 1.11 -1.25 0.16 0.00 0.00 175.35 175.04 1kk9 s PRO 181 N 2.88 -0.10 0.82 4.03 0.04 -1.26 -4.52 135.00 136.88 1kk9 s PRO 181 Ca 0.48 0.26 -0.11 0.00 0.04 0.00 0.00 61.00 61.68 1kk9 s PRO 181 Cb -0.18 -1.70 0.09 0.00 0.04 0.00 0.00 34.50 32.75 1kk9 s PRO 181 CO 0.12 -3.03 1.11 0.95 0.04 0.00 0.00 177.00 176.19 1kk9 s THR 182 N -3.04 2.86 -0.03 1.26 -4.23 -1.26 -1.15 115.64 110.06 1kk9 s THR 182 Ca 0.67 0.28 -0.24 0.00 -1.18 0.00 0.00 61.69 61.23 1kk9 s THR 182 Cb -0.15 -2.61 -0.04 0.00 1.34 0.00 0.00 72.50 71.04 1kk9 s THR 182 CO 0.57 -0.36 0.73 -0.89 -0.54 0.00 0.00 174.62 174.12 1kk9 s THR 183 N -2.79 4.94 -0.24 3.99 2.01 0.07 -3.78 115.64 119.84 1kk9 s THR 183 Ca 0.63 1.51 -0.08 0.00 0.31 0.00 0.00 61.69 64.07 1kk9 s THR 183 Cb -0.19 -4.07 -0.03 0.00 0.01 0.00 0.00 72.50 68.21 1kk9 s THR 183 CO 0.56 0.29 0.09 -0.69 -0.69 0.00 0.00 174.62 174.18 1kk9 s VAL 184 N 0.50 4.54 -0.17 3.82 1.01 0.47 -1.30 120.40 129.26 1kk9 s VAL 184 Ca 0.38 -0.10 -0.00 0.00 0.00 0.00 0.00 61.98 62.26 1kk9 s VAL 184 Cb -0.19 -3.12 0.00 0.00 0.00 0.00 0.00 36.38 33.08 1kk9 s VAL 184 CO 0.20 0.34 -0.15 -0.63 0.00 0.00 0.00 175.10 174.86 1kk9 s ILE 185 N 1.44 2.63 -0.14 2.22 -1.09 -0.30 -0.22 121.20 125.75 1kk9 s ILE 185 Ca 0.06 -0.77 -0.23 0.00 -2.23 0.00 0.00 60.65 57.48 1kk9 s ILE 185 Cb -0.15 -2.12 -0.03 0.00 -1.58 0.00 0.00 42.46 38.58 1kk9 s ILE 185 CO 0.04 0.51 0.72 -0.62 -1.23 0.00 0.00 174.94 174.36 1kk9 s ASP 186 N 0.99 6.88 -0.06 3.58 -1.08 0.90 -1.19 116.67 126.69 1kk9 s ASP 186 Ca -0.02 1.07 0.10 0.00 -0.52 0.00 0.00 52.55 53.18 1kk9 s ASP 186 Cb -0.15 -2.40 0.20 0.00 -1.46 0.00 0.00 42.92 39.11 1kk9 s ASP 186 CO -0.03 -0.25 1.14 0.18 0.52 0.00 0.00 175.17 176.73 1kk9 n LEU 187 N 4.63 2.50 0.17 -1.34 4.77 -0.34 -1.48 117.00 125.91 1kk9 n LEU 187 Ca 0.00 -2.46 0.05 0.00 -0.03 0.00 0.00 56.01 53.58 1kk9 n LEU 187 Cb 0.50 -0.24 0.25 0.00 -2.33 0.00 0.00 43.42 41.61 1kk9 n LEU 187 CO 0.46 0.62 0.62 0.71 -1.33 0.00 0.00 177.39 178.48 1kk9 h THR 188 N 0.56 0.87 -1.00 -5.08 1.35 -1.91 -3.46 112.91 104.24 1kk9 h THR 188 Ca 0.00 -1.72 -0.50 0.00 -0.55 0.00 0.00 66.41 63.64 1kk9 h THR 188 Cb 0.81 2.07 -0.00 0.00 -1.73 0.00 0.00 68.15 69.30 1kk9 h THR 188 CO 0.03 0.40 -0.23 -1.81 -0.25 0.00 0.00 175.52 173.66 1kk9 s ASP 189 N -6.43 5.07 0.57 5.36 1.11 -1.26 -5.01 116.67 116.10 1kk9 s ASP 189 Ca 0.01 -0.85 0.34 0.00 0.18 0.00 0.00 52.55 52.23 1kk9 s ASP 189 Cb 0.10 -0.02 1.73 0.00 1.07 0.00 0.00 42.92 45.80 1kk9 s ASP 189 CO 0.70 -1.04 2.15 0.44 1.18 0.00 0.00 175.17 178.60 1kk9 h ASP 190 N 0.57 0.00 -3.29 0.27 3.32 -1.98 -3.39 116.42 111.93 1kk9 h ASP 190 Ca -0.36 0.00 -0.67 0.00 0.02 0.00 0.00 57.03 56.03 1kk9 h ASP 190 Cb 1.29 0.00 -0.36 0.00 0.22 0.00 0.00 39.33 40.48 1kk9 h ASP 190 CO 0.49 0.05 -0.84 -0.89 -1.72 0.00 0.00 179.24 176.33 1kk9 s THR 191 N -4.08 2.08 0.28 0.35 2.01 -1.26 -5.09 115.64 109.93 1kk9 s THR 191 Ca -0.03 -1.13 -0.29 0.00 0.31 0.00 0.00 61.69 60.55 1kk9 s THR 191 Cb 0.12 -1.97 -0.14 0.00 0.01 0.00 0.00 72.50 70.52 1kk9 s THR 191 CO 0.52 0.37 1.20 -2.65 -0.69 0.00 0.00 174.62 173.38 1kk9 n PRO 192 N 4.57 1.71 -4.87 4.92 -0.02 -1.26 -4.94 135.00 135.11 1kk9 n PRO 192 Ca -0.19 0.60 -0.33 0.00 -2.02 0.00 0.00 63.50 61.57 1kk9 n PRO 192 Cb 0.48 -2.12 -0.16 0.00 -0.02 0.00 0.00 33.50 31.68 1kk9 n PRO 192 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1kk9 s VAL 193 N -0.72 2.39 -0.64 -1.45 1.01 -0.55 -4.95 120.40 115.49 1kk9 s VAL 193 Ca 0.62 -0.88 -0.28 0.00 0.00 0.00 0.00 61.98 61.44 1kk9 s VAL 193 Cb -0.67 -1.97 0.03 0.00 0.00 0.00 0.00 36.38 33.78 1kk9 s VAL 193 CO 0.57 0.54 1.22 -0.69 0.00 0.00 0.00 175.10 176.74 1kk9 s VAL 194 N 0.54 3.92 0.08 2.92 1.01 -1.26 -0.07 120.40 127.53 1kk9 s VAL 194 Ca -0.12 0.68 -0.09 0.00 0.00 0.00 0.00 61.98 62.45 1kk9 s VAL 194 Cb -0.17 -4.80 -0.27 0.00 0.00 0.00 0.00 36.38 31.15 1kk9 s VAL 194 CO 0.04 -1.54 1.15 0.58 0.00 0.00 0.00 175.10 175.34 1kk9 h VAL 195 N 6.10 1.38 -2.56 2.92 2.07 -0.96 -3.46 116.25 121.74 1kk9 h VAL 195 Ca -0.26 -2.69 -0.10 0.00 0.82 0.00 0.00 66.70 64.47 1kk9 h VAL 195 Cb 1.05 2.76 -0.25 0.00 -1.52 0.00 0.00 31.29 33.33 1kk9 h VAL 195 CO 1.22 0.80 -0.24 -0.60 0.02 0.00 0.00 177.57 178.77 1kk9 s ARG 196 N -2.89 0.45 -0.53 1.57 3.52 -1.06 -4.93 118.95 115.08 1kk9 s ARG 196 Ca -0.07 0.83 -0.20 0.00 -0.13 0.00 0.00 55.73 56.16 1kk9 s ARG 196 Cb 0.07 0.03 0.06 0.00 -1.56 0.00 0.00 34.95 33.55 1kk9 s ARG 196 CO 0.90 -0.15 0.69 -2.00 -0.81 0.00 0.00 175.30 173.94 1kk9 s GLU 197 N 1.29 3.14 0.00 5.12 2.12 -1.26 -0.40 118.70 128.71 1kk9 s GLU 197 Ca -0.08 -0.86 0.00 0.00 0.36 0.00 0.00 54.97 54.38 1kk9 s GLU 197 Cb -0.07 -4.12 0.00 0.00 0.26 0.00 0.00 34.13 30.20 1kk9 s GLU 197 CO -0.12 -1.32 0.00 0.41 -0.54 0.00 0.00 175.26 173.69 1kk9 n GLY 198 N 5.19 3.14 0.20 -1.50 0.00 -1.25 -4.90 105.19 106.06 1kk9 n GLY 198 Ca -0.06 -1.65 0.06 0.00 0.00 0.00 0.00 46.02 44.37 1kk9 n GLY 198 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1kk9 h VAL 199 N 0.00 0.92 -3.52 1.61 -1.51 -1.37 -3.44 116.25 108.95 1kk9 h VAL 199 Ca 0.00 -1.30 -0.52 0.00 -1.23 0.00 0.00 66.70 63.65 1kk9 h VAL 199 Cb 0.00 1.77 -0.01 0.00 -2.13 0.00 0.00 31.29 30.92 1kk9 h VAL 199 CO 0.00 0.33 0.42 -0.83 -1.23 0.00 0.00 177.57 176.26 1kk9 s GLY 200 N -4.32 2.89 0.20 5.19 0.00 -1.19 -4.95 107.32 105.14 1kk9 s GLY 200 Ca -0.01 0.68 -0.32 0.00 0.00 0.00 0.00 44.72 45.07 1kk9 s GLY 200 CO 0.68 1.60 1.66 -0.35 0.00 0.00 0.00 173.10 176.69 1kk9 s ASP 201 N 0.14 6.45 0.02 1.64 3.68 -1.26 -4.72 116.67 122.62 1kk9 s ASP 201 Ca 0.49 2.79 0.26 0.00 2.13 0.00 0.00 52.55 58.22 1kk9 s ASP 201 Cb -0.26 -2.60 0.66 0.00 -1.45 0.00 0.00 42.92 39.27 1kk9 s ASP 201 CO 0.31 -0.92 1.53 1.33 0.13 0.00 0.00 175.17 177.56 1kk9 n VAL 202 N 3.86 0.07 -0.23 1.11 0.24 -1.26 -4.33 118.33 117.78 1kk9 n VAL 202 Ca 0.15 -0.05 0.03 0.00 -2.04 0.00 0.00 64.34 62.43 1kk9 n VAL 202 Cb 0.36 -0.00 0.15 0.00 -1.47 0.00 0.00 33.84 32.88 1kk9 n VAL 202 CO 0.00 0.00 0.00 0.11 -2.14 0.00 0.00 176.83 174.80 1kk9 h LYS 203 N 0.00 0.36 0.00 7.34 1.57 -1.98 -1.19 116.57 122.67 1kk9 h LYS 203 Ca 0.00 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1kk9 h LYS 203 Cb 0.54 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.77 1kk9 h LYS 203 CO 0.00 0.24 0.11 -1.35 -0.57 0.00 0.00 179.45 177.88 1kk9 h PRO 204 N 0.37 0.00 -0.38 3.15 0.11 -2.00 -2.01 132.00 131.24 1kk9 h PRO 204 Ca 0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.48 1kk9 h PRO 204 Cb 0.55 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.66 1kk9 h PRO 204 CO -0.40 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 178.58 1kk9 n PHE 205 N -2.98 0.99 0.83 0.65 3.01 -0.45 -5.06 117.46 114.45 1kk9 n PHE 205 Ca -0.03 -0.71 0.10 0.00 1.01 0.00 0.00 57.45 57.82 1kk9 n PHE 205 Cb 0.17 -0.24 0.08 0.00 -0.01 0.00 0.00 39.48 39.49 1kk9 n PHE 205 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05