#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jk9 n ASN 4 N 0.00 0.02 -1.37 3.42 5.15 -1.26 -3.63 115.26 117.59 1jk9 n ASN 4 Ca 0.00 -0.06 0.00 0.00 -0.60 0.00 0.00 54.58 53.92 1jk9 n ASN 4 Cb 0.00 -0.01 0.00 0.00 -0.53 0.00 0.00 39.78 39.24 1jk9 n ASN 4 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 1jk9 n ASP 5 N 0.30 3.09 -4.84 1.20 10.43 -1.26 -4.71 116.55 120.76 1jk9 n ASP 5 Ca 0.00 -1.75 -0.38 0.00 2.57 0.00 0.00 54.79 55.23 1jk9 n ASP 5 Cb 0.01 -0.61 -0.06 0.00 1.84 0.00 0.00 41.12 42.29 1jk9 n ASP 5 CO 0.00 0.00 0.00 0.28 -1.07 0.00 0.00 177.20 176.41 1jk9 s THR 6 N 0.46 5.09 0.31 -3.53 -1.32 -1.24 -3.89 115.64 111.53 1jk9 s THR 6 Ca 0.00 0.75 -0.11 0.00 -1.21 0.00 0.00 61.69 61.13 1jk9 s THR 6 Cb 0.00 -3.67 0.01 0.00 -1.51 0.00 0.00 72.50 67.34 1jk9 s THR 6 CO 0.00 0.58 0.57 -0.72 -2.21 0.00 0.00 174.62 172.85 1jk9 s TYR 7 N -1.07 0.49 -0.05 9.09 -0.85 0.19 -4.88 117.35 120.27 1jk9 s TYR 7 Ca 0.23 -0.89 0.06 0.00 -0.52 0.00 0.00 57.07 55.94 1jk9 s TYR 7 Cb -0.16 0.30 -0.02 0.00 0.38 0.00 0.00 41.96 42.46 1jk9 s TYR 7 CO 0.12 -1.20 -0.24 -2.00 -1.52 0.00 0.00 175.55 170.71 1jk9 s GLU 8 N -3.29 2.42 0.05 -3.49 2.12 -1.26 -1.16 118.70 114.10 1jk9 s GLU 8 Ca 0.23 -0.88 0.02 0.00 0.36 0.00 0.00 54.97 54.69 1jk9 s GLU 8 Cb -0.02 -2.16 -0.03 0.00 0.26 0.00 0.00 34.13 32.18 1jk9 s GLU 8 CO 0.13 0.46 -0.08 0.00 -0.54 0.00 0.00 175.26 175.24 1jk9 s ALA 9 N -0.36 0.65 -0.10 6.30 0.00 -0.65 0.41 121.76 128.00 1jk9 s ALA 9 Ca 0.03 -0.85 0.04 0.00 0.00 0.00 0.00 51.96 51.17 1jk9 s ALA 9 Cb -0.12 0.05 0.00 0.00 0.00 0.00 0.00 23.12 23.05 1jk9 s ALA 9 CO 0.02 -0.04 -0.22 0.95 0.00 0.00 0.00 175.76 176.47 1jk9 s THR 10 N -1.64 1.96 0.04 0.00 -4.23 -0.76 -0.72 115.64 110.29 1jk9 s THR 10 Ca -0.07 -0.95 0.08 0.00 -1.18 0.00 0.00 61.69 59.57 1jk9 s THR 10 Cb -0.08 -1.70 -0.03 0.00 1.34 0.00 0.00 72.50 72.02 1jk9 s THR 10 CO -0.00 0.54 -0.23 -0.31 -0.54 0.00 0.00 174.62 174.08 1jk9 s TYR 11 N 0.46 2.43 -0.20 3.99 1.51 0.37 0.08 117.35 126.00 1jk9 s TYR 11 Ca -0.16 -0.34 -0.15 0.00 -1.01 0.00 0.00 57.07 55.41 1jk9 s TYR 11 Cb -0.17 -1.43 -0.04 0.00 -0.11 0.00 0.00 41.96 40.20 1jk9 s TYR 11 CO 0.07 0.17 0.35 0.00 -1.11 0.00 0.00 175.55 175.03 1jk9 s ALA 12 N -0.84 3.57 -0.09 3.71 0.00 0.34 -0.19 121.76 128.26 1jk9 s ALA 12 Ca 0.13 -0.56 -0.06 0.00 0.00 0.00 0.00 51.96 51.47 1jk9 s ALA 12 Cb -0.10 -2.56 0.03 0.00 0.00 0.00 0.00 23.12 20.50 1jk9 s ALA 12 CO 0.03 -0.22 0.22 0.42 0.00 0.00 0.00 175.76 176.21 1jk9 s ILE 13 N 1.14 -0.02 0.28 0.00 1.01 -1.15 -1.10 121.20 121.37 1jk9 s ILE 13 Ca 0.17 0.08 -0.29 0.00 0.00 0.00 0.00 60.65 60.61 1jk9 s ILE 13 Cb -0.14 -0.33 -0.10 0.00 0.01 0.00 0.00 42.46 41.89 1jk9 s ILE 13 CO 0.07 0.03 1.38 -2.16 0.00 0.00 0.00 174.94 174.26 1jk9 s PRO 14 N 0.70 4.31 0.00 2.79 0.04 -1.26 -4.63 135.00 136.94 1jk9 s PRO 14 Ca -0.05 2.26 0.05 0.00 0.04 0.00 0.00 61.00 63.30 1jk9 s PRO 14 Cb -0.06 -3.10 0.08 0.00 0.04 0.00 0.00 34.50 31.47 1jk9 s PRO 14 CO -0.04 -0.32 0.89 0.00 0.04 0.00 0.00 177.00 177.58 1jk9 n MET 15 N 1.66 0.00 -0.95 4.56 0.00 -1.26 -4.94 117.12 116.18 1jk9 n MET 15 Ca 0.04 -0.92 -0.20 0.00 0.00 0.00 0.00 57.70 56.62 1jk9 n MET 15 Cb 0.41 0.12 0.11 0.00 0.00 0.00 0.00 33.22 33.86 1jk9 n MET 15 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 175.97 176.69 1jk9 n HIS 16 N 0.10 2.26 -4.36 3.17 8.25 -1.26 -4.68 115.22 118.70 1jk9 n HIS 16 Ca -0.10 -1.78 -0.27 0.00 -0.26 0.00 0.00 57.72 55.32 1jk9 n HIS 16 Cb 0.73 -0.89 -0.10 0.00 1.12 0.00 0.00 29.99 30.85 1jk9 n HIS 16 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1jk9 n GLU 18 N 0.13 -0.38 -3.68 0.00 0.00 -1.26 -3.31 120.64 112.13 1jk9 n GLU 18 Ca -0.11 1.44 -0.35 0.00 0.00 0.00 0.00 57.16 58.14 1jk9 n GLU 18 Cb 0.56 -2.13 -0.07 0.00 0.00 0.00 0.00 31.44 29.80 1jk9 n GLU 18 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.13 176.33 1jk9 s ASN 19 N -5.45 5.77 0.00 -1.84 0.01 -1.26 -4.69 114.94 107.48 1jk9 s ASN 19 Ca -0.12 -3.68 0.00 0.00 -0.71 0.00 0.00 52.86 48.35 1jk9 s ASN 19 Cb 0.12 -1.86 0.00 0.00 0.41 0.00 0.00 41.25 39.92 1jk9 s ASN 19 CO 0.61 -0.18 0.00 0.00 -1.51 0.00 0.00 177.10 176.02 1jk9 n VAL 21 N -2.54 1.00 -0.10 0.00 0.31 -1.26 -1.68 118.33 114.05 1jk9 n VAL 21 Ca 0.00 0.25 -0.23 0.00 -0.01 0.00 0.00 64.34 64.35 1jk9 n VAL 21 Cb 0.27 -1.02 -0.11 0.00 -0.91 0.00 0.00 33.84 32.06 1jk9 n VAL 21 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1jk9 n ASN 22 N -1.56 1.90 -0.26 4.52 3.02 -1.26 -3.45 115.26 118.17 1jk9 n ASN 22 Ca 0.03 0.38 -0.01 0.00 -0.03 0.00 0.00 54.58 54.96 1jk9 n ASN 22 Cb 0.17 -0.93 0.11 0.00 -0.61 0.00 0.00 39.78 38.53 1jk9 n ASN 22 CO 0.00 0.00 0.00 0.44 -2.62 0.00 0.00 177.26 175.08 1jk9 h ASP 23 N -0.90 0.65 -0.37 6.41 5.19 -1.73 0.69 116.42 126.36 1jk9 h ASP 23 Ca -0.42 0.03 -0.01 0.00 -0.62 0.00 0.00 57.03 56.01 1jk9 h ASP 23 Cb 1.42 -0.10 -0.02 0.00 0.18 0.00 0.00 39.33 40.81 1jk9 h ASP 23 CO -0.22 0.41 0.21 0.40 -3.12 0.00 0.00 179.24 176.92 1jk9 h ILE 24 N 0.78 1.14 0.19 0.35 2.04 -1.51 0.24 117.51 120.73 1jk9 h ILE 24 Ca 0.33 -0.35 -0.01 0.00 1.00 0.00 0.00 64.86 65.83 1jk9 h ILE 24 Cb 0.19 0.70 0.00 0.00 -0.74 0.00 0.00 36.82 36.97 1jk9 h ILE 24 CO -0.18 0.14 -0.09 0.11 0.00 0.00 0.00 178.15 178.13 1jk9 h LYS 25 N 0.47 -0.24 -0.61 2.37 1.57 -1.30 -1.33 116.57 117.51 1jk9 h LYS 25 Ca 0.13 0.02 0.07 0.00 -1.87 0.00 0.00 60.65 59.00 1jk9 h LYS 25 Cb 0.04 0.05 -0.06 0.00 0.08 0.00 0.00 32.23 32.35 1jk9 h LYS 25 CO -0.02 -0.10 0.29 0.00 -0.57 0.00 0.00 179.45 179.04 1jk9 h ALA 26 N 0.48 0.81 -0.75 3.86 0.00 0.54 0.11 119.26 124.31 1jk9 h ALA 26 Ca -0.03 0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.96 1jk9 h ALA 26 Cb 0.25 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.96 1jk9 h ALA 26 CO 0.04 -0.09 0.48 0.00 0.00 0.00 0.00 179.25 179.68 1jk9 n LEU 28 N -4.62 1.93 -0.20 0.00 4.77 -0.52 -4.53 117.00 113.83 1jk9 n LEU 28 Ca 0.08 -0.73 -0.01 0.00 -0.03 0.00 0.00 56.01 55.33 1jk9 n LEU 28 Cb 0.08 -0.06 0.07 0.00 -2.33 0.00 0.00 43.42 41.18 1jk9 n LEU 28 CO 0.34 0.36 0.77 0.50 -1.33 0.00 0.00 177.39 178.03 1jk9 h LYS 29 N 2.80 0.03 0.00 3.23 1.63 -0.28 -2.86 116.57 121.12 1jk9 h LYS 29 Ca 0.00 -0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1jk9 h LYS 29 Cb 0.60 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.23 1jk9 h LYS 29 CO 0.00 0.02 -1.00 0.09 -3.45 0.00 0.00 179.45 175.11 1jk9 n ASN 30 N -5.37 0.77 -4.48 4.20 3.02 -1.26 -4.89 115.26 107.24 1jk9 n ASN 30 Ca 0.07 0.24 -0.46 0.00 -0.03 0.00 0.00 54.58 54.40 1jk9 n ASN 30 Cb 0.32 0.50 -0.07 0.00 -0.61 0.00 0.00 39.78 39.93 1jk9 n ASN 30 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1jk9 n VAL 31 N -2.52 0.13 -2.39 2.41 0.31 -1.08 -4.90 118.33 110.28 1jk9 n VAL 31 Ca 0.00 -0.35 -0.40 0.00 -0.01 0.00 0.00 64.34 63.59 1jk9 n VAL 31 Cb 0.53 -1.80 -0.04 0.00 -0.91 0.00 0.00 33.84 31.62 1jk9 n VAL 31 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1jk9 s PRO 32 N 6.95 4.51 0.00 5.55 0.04 -1.26 -3.75 135.00 147.04 1jk9 s PRO 32 Ca 1.10 1.88 0.00 0.00 0.04 0.00 0.00 61.00 64.02 1jk9 s PRO 32 Cb -0.74 -3.09 0.00 0.00 0.04 0.00 0.00 34.50 30.71 1jk9 s PRO 32 CO 0.44 0.07 0.00 0.41 0.04 0.00 0.00 177.00 177.96 1jk9 n GLY 33 N 1.03 0.91 3.60 0.56 0.00 -1.26 -4.86 105.19 105.16 1jk9 n GLY 33 Ca -0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1jk9 n GLY 33 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jk9 s ILE 34 N -2.00 5.07 -0.11 -0.61 1.01 -1.25 -1.11 121.20 122.20 1jk9 s ILE 34 Ca 0.00 0.65 -0.14 0.00 0.00 0.00 0.00 60.65 61.16 1jk9 s ILE 34 Cb 0.00 -3.85 -0.12 0.00 0.01 0.00 0.00 42.46 38.50 1jk9 s ILE 34 CO 0.00 0.00 0.40 0.78 0.00 0.00 0.00 174.94 176.12 1jk9 h ASN 35 N 8.19 -0.02 -5.17 3.58 4.21 0.01 -3.49 115.58 122.90 1jk9 h ASN 35 Ca -0.29 -0.46 -0.09 0.00 1.21 0.00 0.00 56.30 56.67 1jk9 h ASN 35 Cb 1.14 0.00 -0.14 0.00 -1.12 0.00 0.00 38.32 38.20 1jk9 h ASN 35 CO 0.72 0.71 -0.41 -0.94 -1.29 0.00 0.00 177.43 176.22 1jk9 s SER 36 N -5.83 0.17 -0.08 5.81 1.04 -0.93 -4.98 113.70 108.89 1jk9 s SER 36 Ca -0.09 -0.70 0.01 0.00 0.48 0.00 0.00 55.95 55.64 1jk9 s SER 36 Cb -0.01 0.32 0.02 0.00 0.10 0.00 0.00 66.02 66.45 1jk9 s SER 36 CO 0.33 -0.72 -0.08 -0.76 0.98 0.00 0.00 173.24 173.00 1jk9 s LEU 37 N -2.87 1.31 0.08 2.42 1.43 -1.26 -1.21 118.68 118.58 1jk9 s LEU 37 Ca 0.06 -0.26 0.07 0.00 -1.03 0.00 0.00 54.13 52.97 1jk9 s LEU 37 Cb 0.05 -0.74 -0.04 0.00 0.03 0.00 0.00 46.19 45.49 1jk9 s LEU 37 CO -0.11 -0.06 -0.15 0.20 0.23 0.00 0.00 176.35 176.46 1jk9 s ASN 38 N 1.26 4.04 -0.20 2.29 0.02 0.11 -4.94 114.94 117.52 1jk9 s ASN 38 Ca -0.04 -0.44 -0.00 0.00 -1.02 0.00 0.00 52.86 51.36 1jk9 s ASN 38 Cb -0.14 -0.68 0.05 0.00 0.02 0.00 0.00 41.25 40.50 1jk9 s ASN 38 CO -0.03 0.21 -0.05 -0.36 0.02 0.00 0.00 177.10 176.90 1jk9 s PHE 39 N -1.08 2.02 -1.19 2.20 0.40 -1.26 -0.41 117.98 118.66 1jk9 s PHE 39 Ca 0.18 -1.42 -0.04 0.00 -0.60 0.00 0.00 56.93 55.05 1jk9 s PHE 39 Cb -0.11 -1.44 0.21 0.00 0.51 0.00 0.00 43.02 42.20 1jk9 s PHE 39 CO 0.09 -0.70 2.07 -3.47 0.70 0.00 0.00 175.22 173.91 1jk9 n ASP 40 N 4.78 7.44 -0.20 1.36 -0.08 -0.27 -4.86 116.55 124.71 1jk9 n ASP 40 Ca -0.12 -3.37 0.08 0.00 -1.51 0.00 0.00 54.79 49.87 1jk9 n ASP 40 Cb 0.46 -1.29 0.16 0.00 2.34 0.00 0.00 41.12 42.79 1jk9 n ASP 40 CO 0.00 0.00 0.00 -0.38 0.12 0.00 0.00 177.20 176.94 1jk9 n ILE 41 N 1.14 -0.24 -0.19 5.18 5.41 -1.26 0.68 119.36 130.06 1jk9 n ILE 41 Ca 0.52 1.28 0.01 0.00 1.00 0.00 0.00 62.75 65.57 1jk9 n ILE 41 Cb 0.27 -1.87 0.27 0.00 -0.71 0.00 0.00 39.64 37.60 1jk9 n ILE 41 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 176.55 176.47 1jk9 h GLU 42 N 0.00 0.93 -0.67 0.38 4.81 -1.96 -0.54 114.58 117.53 1jk9 h GLU 42 Ca 0.35 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.52 1jk9 h GLU 42 Cb 0.70 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.87 1jk9 h GLU 42 CO -0.55 0.61 0.00 1.04 -0.73 0.00 0.00 179.01 179.38 1jk9 n GLN 43 N -4.43 3.08 -4.05 1.92 6.02 0.21 -4.96 117.38 115.18 1jk9 n GLN 43 Ca 0.08 -2.59 -0.27 0.00 -0.01 0.00 0.00 57.00 54.21 1jk9 n GLN 43 Cb 0.05 -1.70 -0.08 0.00 1.02 0.00 0.00 30.24 29.53 1jk9 n GLN 43 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1jk9 n GLN 44 N 1.29 -0.92 -4.66 -1.09 6.02 -0.21 -4.93 117.38 112.89 1jk9 n GLN 44 Ca 0.24 0.07 -0.24 0.00 -0.01 0.00 0.00 57.00 57.06 1jk9 n GLN 44 Cb 0.71 -3.00 -0.16 0.00 1.02 0.00 0.00 30.24 28.82 1jk9 n GLN 44 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1jk9 s ILE 45 N -4.16 1.19 -0.16 5.09 1.01 -1.23 -2.91 121.20 120.03 1jk9 s ILE 45 Ca 0.02 -0.57 -0.05 0.00 0.00 0.00 0.00 60.65 60.05 1jk9 s ILE 45 Cb -0.01 -1.05 -0.03 0.00 0.01 0.00 0.00 42.46 41.38 1jk9 s ILE 45 CO 0.85 0.36 0.00 -0.32 0.00 0.00 0.00 174.94 175.83 1jk9 s MET 46 N 0.23 3.75 -0.18 2.79 -2.45 0.73 -1.12 119.30 123.05 1jk9 s MET 46 Ca -0.06 -0.45 -0.07 0.00 -1.25 0.00 0.00 55.69 53.85 1jk9 s MET 46 Cb -0.12 -3.02 -0.04 0.00 1.25 0.00 0.00 34.83 32.91 1jk9 s MET 46 CO 0.02 0.28 0.06 -1.12 1.05 0.00 0.00 175.02 175.31 1jk9 s SER 47 N 0.30 5.57 -0.14 1.11 0.01 0.45 -0.48 113.70 120.52 1jk9 s SER 47 Ca -0.01 0.06 0.02 0.00 1.31 0.00 0.00 55.95 57.33 1jk9 s SER 47 Cb -0.13 -1.95 0.00 0.00 0.21 0.00 0.00 66.02 64.15 1jk9 s SER 47 CO 0.02 0.17 -0.20 -0.69 0.41 0.00 0.00 173.24 172.94 1jk9 s VAL 48 N 0.42 2.25 -0.41 3.43 1.01 0.10 0.05 120.40 127.26 1jk9 s VAL 48 Ca 0.03 -0.92 -0.12 0.00 0.00 0.00 0.00 61.98 60.97 1jk9 s VAL 48 Cb -0.13 -1.91 0.05 0.00 0.00 0.00 0.00 36.38 34.39 1jk9 s VAL 48 CO 0.01 0.54 0.26 -0.70 0.00 0.00 0.00 175.10 175.21 1jk9 s GLU 49 N 0.72 2.82 0.15 2.72 2.56 -0.35 -1.64 118.70 125.68 1jk9 s GLU 49 Ca -0.09 -1.20 -0.04 0.00 0.00 0.00 0.00 54.97 53.64 1jk9 s GLU 49 Cb -0.16 -3.85 0.02 0.00 2.00 0.00 0.00 34.13 32.14 1jk9 s GLU 49 CO 0.01 -0.82 0.27 -1.13 -0.56 0.00 0.00 175.26 173.03 1jk9 n SER 50 N 5.04 -0.78 -0.59 -1.70 3.41 -0.31 0.78 113.62 119.47 1jk9 n SER 50 Ca -0.11 -1.63 0.04 0.00 -0.26 0.00 0.00 58.87 56.91 1jk9 n SER 50 Cb 0.45 1.33 0.07 0.00 -0.26 0.00 0.00 64.21 65.81 1jk9 n SER 50 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1jk9 n SER 51 N -1.38 1.10 -5.01 4.04 3.41 -0.27 0.53 113.62 116.04 1jk9 n SER 51 Ca -0.02 -2.58 -0.17 0.00 -0.26 0.00 0.00 58.87 55.83 1jk9 n SER 51 Cb 0.22 -0.33 0.01 0.00 -0.26 0.00 0.00 64.21 63.85 1jk9 n SER 51 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1jk9 s VAL 52 N -1.27 3.18 0.27 -3.33 1.01 -1.26 -4.91 120.40 114.09 1jk9 s VAL 52 Ca 0.21 -1.00 -0.29 0.00 0.00 0.00 0.00 61.98 60.90 1jk9 s VAL 52 Cb 0.21 -3.07 -0.09 0.00 0.00 0.00 0.00 36.38 33.43 1jk9 s VAL 52 CO -0.04 -0.03 0.95 0.00 0.00 0.00 0.00 175.10 175.98 1jk9 s ALA 53 N -2.32 3.30 0.55 5.51 0.00 -1.26 -4.92 121.76 122.61 1jk9 s ALA 53 Ca 0.53 0.60 0.28 0.00 0.00 0.00 0.00 51.96 53.37 1jk9 s ALA 53 Cb -0.10 -3.21 1.45 0.00 0.00 0.00 0.00 23.12 21.27 1jk9 s ALA 53 CO 0.33 0.19 1.96 -1.35 0.00 0.00 0.00 175.76 176.88 1jk9 h PRO 54 N 3.83 0.00 -0.49 0.00 0.11 -1.96 0.20 132.00 133.69 1jk9 h PRO 54 Ca -0.46 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.61 1jk9 h PRO 54 Cb 1.20 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.29 1jk9 h PRO 54 CO 0.67 0.00 0.12 0.66 -0.21 0.00 0.00 178.00 179.24 1jk9 h SER 55 N 0.00 0.74 -0.82 -2.05 4.64 -1.95 -2.61 113.55 111.51 1jk9 h SER 55 Ca 0.28 -0.23 0.16 0.00 -0.47 0.00 0.00 61.79 61.53 1jk9 h SER 55 Cb 1.18 -0.20 -0.10 0.00 -0.31 0.00 0.00 62.40 62.98 1jk9 h SER 55 CO -0.00 0.78 0.37 0.74 -0.87 0.00 0.00 176.83 177.85 1jk9 h THR 56 N 0.67 0.64 0.26 2.95 2.02 -1.33 0.36 112.91 118.48 1jk9 h THR 56 Ca 0.15 -0.17 -0.01 0.00 0.77 0.00 0.00 66.41 67.15 1jk9 h THR 56 Cb 0.32 0.10 0.00 0.00 -1.74 0.00 0.00 68.15 66.83 1jk9 h THR 56 CO 0.00 0.09 -0.13 0.40 0.37 0.00 0.00 175.52 176.26 1jk9 h ILE 57 N 0.50 0.78 -0.30 3.11 1.08 -1.47 -2.31 117.51 118.91 1jk9 h ILE 57 Ca 0.47 -0.58 0.02 0.00 -0.39 0.00 0.00 64.86 64.38 1jk9 h ILE 57 Cb 0.73 1.09 -0.03 0.00 -3.07 0.00 0.00 36.82 35.55 1jk9 h ILE 57 CO -0.42 0.12 0.14 0.40 -0.69 0.00 0.00 178.15 177.70 1jk9 h ILE 58 N -0.67 0.98 0.84 -0.67 2.04 -1.04 -2.64 117.51 116.35 1jk9 h ILE 58 Ca -0.04 -0.10 -0.04 0.00 1.00 0.00 0.00 64.86 65.68 1jk9 h ILE 58 Cb 0.47 0.66 0.01 0.00 -0.74 0.00 0.00 36.82 37.21 1jk9 h ILE 58 CO 0.06 0.05 -0.40 0.78 0.00 0.00 0.00 178.15 178.64 1jk9 h ASN 59 N 0.30 -0.95 -0.95 1.72 2.35 -0.37 0.33 115.58 118.01 1jk9 h ASN 59 Ca 0.12 0.03 0.27 0.00 -0.55 0.00 0.00 56.30 56.17 1jk9 h ASN 59 Cb 0.05 0.25 -0.17 0.00 0.05 0.00 0.00 38.32 38.49 1jk9 h ASN 59 CO -0.09 -0.65 0.10 0.74 -1.65 0.00 0.00 177.43 175.88 1jk9 h THR 60 N -1.17 0.10 -0.42 2.81 2.02 -1.39 0.62 112.91 115.47 1jk9 h THR 60 Ca -0.11 -0.02 -0.12 0.00 0.77 0.00 0.00 66.41 66.92 1jk9 h THR 60 Cb 0.87 0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 67.31 1jk9 h THR 60 CO 0.19 0.01 -0.22 -0.07 0.37 0.00 0.00 175.52 175.79 1jk9 h LEU 61 N 0.05 0.92 -1.58 2.58 3.38 -1.22 -2.99 115.31 116.45 1jk9 h LEU 61 Ca 0.59 -0.41 0.07 0.00 0.09 0.00 0.00 57.88 58.22 1jk9 h LEU 61 Cb 1.24 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.70 1jk9 h LEU 61 CO -0.84 1.13 0.38 -0.09 0.09 0.00 0.00 178.44 179.11 1jk9 h ARG 62 N 0.71 0.49 0.00 1.13 2.43 0.24 0.26 114.38 119.64 1jk9 h ARG 62 Ca 0.09 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 1jk9 h ARG 62 Cb 0.79 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.23 1jk9 h ARG 62 CO 0.07 0.32 0.00 0.09 -1.51 0.00 0.00 179.97 178.94 1jk9 n ASN 63 N -4.47 0.47 -1.17 -3.80 3.02 -0.56 -1.77 115.26 106.96 1jk9 n ASN 63 Ca 0.08 0.61 0.08 0.00 -0.03 0.00 0.00 54.58 55.33 1jk9 n ASN 63 Cb 0.27 -0.71 0.28 0.00 -0.61 0.00 0.00 39.78 39.01 1jk9 n ASN 63 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1jk9 n GLY 65 N 0.66 1.22 3.76 0.00 0.00 -0.73 -4.98 105.19 105.11 1jk9 n GLY 65 Ca 0.21 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.84 1jk9 n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jk9 s LYS 66 N -0.19 4.40 -0.30 1.61 -0.14 -0.89 -4.98 119.74 119.25 1jk9 s LYS 66 Ca 0.00 0.88 -0.09 0.00 -1.36 0.00 0.00 55.97 55.41 1jk9 s LYS 66 Cb 0.00 -3.35 -0.01 0.00 -1.68 0.00 0.00 37.83 32.80 1jk9 s LYS 66 CO 0.00 0.34 0.12 0.34 -0.76 0.00 0.00 175.35 175.39 1jk9 s ASP 67 N -0.17 5.39 -0.14 2.83 3.68 -1.26 -2.95 116.67 124.05 1jk9 s ASP 67 Ca 0.34 -0.54 0.00 0.00 2.13 0.00 0.00 52.55 54.49 1jk9 s ASP 67 Cb -0.19 -1.96 -0.01 0.00 -1.45 0.00 0.00 42.92 39.31 1jk9 s ASP 67 CO 0.20 -0.17 -0.15 0.00 0.13 0.00 0.00 175.17 175.17 1jk9 s ALA 68 N 1.58 2.52 -0.31 3.66 0.00 -1.26 -4.43 121.76 123.52 1jk9 s ALA 68 Ca 0.04 -0.98 -0.07 0.00 0.00 0.00 0.00 51.96 50.95 1jk9 s ALA 68 Cb -0.17 -1.19 0.02 0.00 0.00 0.00 0.00 23.12 21.78 1jk9 s ALA 68 CO 0.05 0.09 0.09 0.42 0.00 0.00 0.00 175.76 176.42 1jk9 s ILE 69 N 0.61 3.95 0.42 0.00 1.01 -0.26 -4.90 121.20 122.04 1jk9 s ILE 69 Ca -0.08 -0.83 -0.26 0.00 0.00 0.00 0.00 60.65 59.48 1jk9 s ILE 69 Cb -0.16 -3.10 -0.09 0.00 0.01 0.00 0.00 42.46 39.12 1jk9 s ILE 69 CO 0.03 -0.01 1.38 -0.51 0.00 0.00 0.00 174.94 175.82 1jk9 s ILE 70 N 1.47 2.33 0.00 2.92 2.07 -1.26 -0.50 121.20 128.23 1jk9 s ILE 70 Ca 0.01 0.30 0.00 0.00 -1.41 0.00 0.00 60.65 59.55 1jk9 s ILE 70 Cb -0.18 -3.18 0.00 0.00 0.13 0.00 0.00 42.46 39.23 1jk9 s ILE 70 CO 0.03 0.05 0.00 0.54 -1.91 0.00 0.00 174.94 173.65 1jk9 n ARG 71 N 0.06 2.99 -3.58 3.50 5.12 0.11 -4.85 116.66 120.02 1jk9 n ARG 71 Ca 0.04 0.00 -0.11 0.00 -1.93 0.00 0.00 57.85 55.85 1jk9 n ARG 71 Cb 0.42 -0.96 -0.03 0.00 -1.16 0.00 0.00 32.46 30.74 1jk9 n ARG 71 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 1jk9 s GLY 72 N -2.62 -0.38 -0.28 -0.13 0.00 -1.17 -4.78 107.32 97.96 1jk9 s GLY 72 Ca 0.00 0.15 -0.16 0.00 0.00 0.00 0.00 44.72 44.71 1jk9 s GLY 72 CO 0.00 -0.03 0.71 0.00 0.00 0.00 0.00 173.10 173.77 1jk9 s ALA 73 N -3.81 -1.92 0.13 3.20 0.00 -0.89 -1.82 121.76 116.65 1jk9 s ALA 73 Ca 0.04 2.41 0.00 0.00 0.00 0.00 0.00 51.96 54.41 1jk9 s ALA 73 Cb -0.01 -1.47 0.00 0.00 0.00 0.00 0.00 23.12 21.64 1jk9 s ALA 73 CO -0.08 -0.41 0.00 0.41 0.00 0.00 0.00 175.76 175.68 1jk9 n GLY 74 N 4.34 -2.12 3.82 0.00 0.00 0.17 -4.05 105.19 107.35 1jk9 n GLY 74 Ca -0.19 -1.38 -0.30 0.00 0.00 0.00 0.00 46.02 44.14 1jk9 n GLY 74 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jk9 s LYS 75 N -1.47 2.14 0.21 1.61 -0.14 -1.26 -2.05 119.74 118.79 1jk9 s LYS 75 Ca 0.00 0.56 -0.32 0.00 -1.36 0.00 0.00 55.97 54.85 1jk9 s LYS 75 Cb 0.00 -1.93 -0.12 0.00 -1.68 0.00 0.00 37.83 34.10 1jk9 s LYS 75 CO 0.00 -1.56 1.69 -1.25 -0.76 0.00 0.00 175.35 173.47 1jk9 s PRO 76 N -5.22 4.14 0.00 -1.68 0.04 -1.26 -1.99 135.00 129.03 1jk9 s PRO 76 Ca 0.61 2.57 0.00 0.00 0.04 0.00 0.00 61.00 64.22 1jk9 s PRO 76 Cb -0.14 -3.08 0.00 0.00 0.04 0.00 0.00 34.50 31.32 1jk9 s PRO 76 CO 0.53 -0.73 0.00 0.09 0.04 0.00 0.00 177.00 176.94 1jk9 n ASN 77 N 3.88 -2.33 -0.07 6.66 3.02 -1.26 -4.91 115.26 120.26 1jk9 n ASN 77 Ca 0.15 0.00 0.04 0.00 -0.03 0.00 0.00 54.58 54.74 1jk9 n ASN 77 Cb 0.36 -0.39 -0.03 0.00 -0.61 0.00 0.00 39.78 39.11 1jk9 n ASN 77 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1jk9 n SER 78 N 0.76 0.62 -4.69 6.41 3.41 -0.84 -4.53 113.62 114.75 1jk9 n SER 78 Ca 0.00 -0.81 -0.31 0.00 -0.26 0.00 0.00 58.87 57.49 1jk9 n SER 78 Cb 0.00 0.81 -0.08 0.00 -0.26 0.00 0.00 64.21 64.68 1jk9 n SER 78 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1jk9 s SER 79 N -1.52 5.12 0.01 4.04 0.15 -1.26 0.38 113.70 120.61 1jk9 s SER 79 Ca 0.04 -0.08 -0.27 0.00 0.70 0.00 0.00 55.95 56.34 1jk9 s SER 79 Cb 0.06 -1.29 0.07 0.00 -1.71 0.00 0.00 66.02 63.14 1jk9 s SER 79 CO 0.27 0.22 0.62 0.00 1.20 0.00 0.00 173.24 175.56 1jk9 s ALA 80 N -1.22 -1.63 0.07 5.45 0.00 0.21 -2.72 121.76 121.93 1jk9 s ALA 80 Ca 0.23 1.01 0.01 0.00 0.00 0.00 0.00 51.96 53.21 1jk9 s ALA 80 Cb -0.12 0.23 -0.04 0.00 0.00 0.00 0.00 23.12 23.19 1jk9 s ALA 80 CO 0.15 -0.46 -0.05 0.54 0.00 0.00 0.00 175.76 175.94 1jk9 s VAL 81 N -1.86 0.45 -0.24 0.00 0.11 0.16 0.18 120.40 119.18 1jk9 s VAL 81 Ca -0.08 -1.66 -0.02 0.00 -2.93 0.00 0.00 61.98 57.29 1jk9 s VAL 81 Cb -0.01 -1.32 0.13 0.00 -1.53 0.00 0.00 36.38 33.65 1jk9 s VAL 81 CO 0.04 -0.80 0.33 0.00 -3.33 0.00 0.00 175.10 171.33 1jk9 s ALA 82 N -3.16 -0.83 -0.21 1.54 0.00 0.21 0.52 121.76 119.82 1jk9 s ALA 82 Ca 0.04 0.56 -0.26 0.00 0.00 0.00 0.00 51.96 52.30 1jk9 s ALA 82 Cb 0.02 -1.63 -0.00 0.00 0.00 0.00 0.00 23.12 21.50 1jk9 s ALA 82 CO -0.05 -1.34 0.89 0.42 0.00 0.00 0.00 175.76 175.68 1jk9 s ILE 83 N 2.47 4.81 -0.28 0.00 1.01 -1.26 -0.86 121.20 127.10 1jk9 s ILE 83 Ca 0.11 1.72 -0.15 0.00 0.00 0.00 0.00 60.65 62.32 1jk9 s ILE 83 Cb -0.15 -4.18 -0.03 0.00 0.01 0.00 0.00 42.46 38.11 1jk9 s ILE 83 CO -0.18 -0.06 0.40 -0.76 0.00 0.00 0.00 174.94 174.34 1jk9 s LEU 84 N 2.66 4.08 0.14 2.97 1.43 0.81 -3.87 118.68 126.90 1jk9 s LEU 84 Ca 0.39 0.27 0.07 0.00 -1.03 0.00 0.00 54.13 53.82 1jk9 s LEU 84 Cb -0.16 -2.46 -0.04 0.00 0.03 0.00 0.00 46.19 43.57 1jk9 s LEU 84 CO 0.09 -0.22 -0.16 -1.61 0.23 0.00 0.00 176.35 174.68 1jk9 s GLU 85 N 2.11 1.13 0.42 1.70 2.02 0.10 0.05 118.70 126.22 1jk9 s GLU 85 Ca 0.16 -1.31 -0.19 0.00 0.02 0.00 0.00 54.97 53.64 1jk9 s GLU 85 Cb -0.16 -1.07 -0.10 0.00 0.10 0.00 0.00 34.13 32.90 1jk9 s GLU 85 CO 0.10 0.21 0.91 0.95 0.02 0.00 0.00 175.26 177.46 1jk9 s THR 86 N -2.13 4.46 -0.52 3.63 -4.23 -0.21 -0.61 115.64 116.02 1jk9 s THR 86 Ca 0.12 1.36 0.12 0.00 -1.18 0.00 0.00 61.69 62.11 1jk9 s THR 86 Cb -0.05 -3.61 0.34 0.00 1.34 0.00 0.00 72.50 70.52 1jk9 s THR 86 CO 0.04 -0.33 1.27 0.49 -0.54 0.00 0.00 174.62 175.56 1jk9 n PHE 87 N -0.68 0.53 -3.58 3.99 3.01 -1.26 -4.92 117.46 114.55 1jk9 n PHE 87 Ca 0.06 -0.66 -0.11 0.00 1.01 0.00 0.00 57.45 57.76 1jk9 n PHE 87 Cb 0.54 -0.13 -0.04 0.00 -0.01 0.00 0.00 39.48 39.84 1jk9 n PHE 87 CO 0.00 0.00 0.00 1.14 1.01 0.00 0.00 176.76 178.91 1jk9 s GLN 88 N -1.72 1.14 0.24 -1.08 -2.07 -1.26 -4.87 119.66 110.04 1jk9 s GLN 88 Ca 0.27 -0.65 -0.16 0.00 -1.82 0.00 0.00 55.36 53.00 1jk9 s GLN 88 Cb 0.19 0.51 -0.08 0.00 -1.09 0.00 0.00 33.01 32.53 1jk9 s GLN 88 CO 0.11 -0.47 0.68 0.21 -1.32 0.00 0.00 175.29 174.50 1jk9 s LYS 89 N -3.79 4.09 0.01 9.60 2.47 -1.26 -5.07 119.74 125.79 1jk9 s LYS 89 Ca 0.03 0.69 0.07 0.00 -1.56 0.00 0.00 55.97 55.19 1jk9 s LYS 89 Cb 0.01 -2.75 -0.02 0.00 -1.46 0.00 0.00 37.83 33.61 1jk9 s LYS 89 CO -0.12 0.34 -0.21 0.71 0.16 0.00 0.00 175.35 176.23 1jk9 s TYR 90 N -1.66 1.86 0.60 4.03 1.51 -1.26 -5.01 117.35 117.41 1jk9 s TYR 90 Ca 0.45 -0.36 0.29 0.00 -1.01 0.00 0.00 57.07 56.44 1jk9 s TYR 90 Cb -0.14 -1.15 1.32 0.00 -0.11 0.00 0.00 41.96 41.88 1jk9 s TYR 90 CO 0.20 0.03 1.72 1.15 -1.11 0.00 0.00 175.55 177.53 1jk9 h THR 91 N 4.50 0.24 -0.13 -0.71 2.02 -1.98 0.83 112.91 117.68 1jk9 h THR 91 Ca -0.41 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.77 1jk9 h THR 91 Cb 1.15 0.43 0.00 0.00 -1.74 0.00 0.00 68.15 67.99 1jk9 h THR 91 CO 0.46 0.00 0.00 2.30 0.37 0.00 0.00 175.52 178.65 1jk9 n ILE 92 N -3.55 0.15 -3.45 3.11 -5.35 -1.26 -4.92 119.36 104.09 1jk9 n ILE 92 Ca 0.13 -0.50 -0.35 0.00 -0.27 0.00 0.00 62.75 61.75 1jk9 n ILE 92 Cb 0.94 1.09 -0.06 0.00 -1.74 0.00 0.00 39.64 39.87 1jk9 n ILE 92 CO 0.00 0.00 0.00 -1.81 -1.76 0.00 0.00 176.55 172.98 1jk9 s ASP 93 N -1.83 6.75 0.19 7.28 1.01 0.28 -4.82 116.67 125.53 1jk9 s ASP 93 Ca 0.33 0.96 -0.30 0.00 0.71 0.00 0.00 52.55 54.24 1jk9 s ASP 93 Cb 0.21 -2.24 -0.09 0.00 1.01 0.00 0.00 42.92 41.81 1jk9 s ASP 93 CO 0.31 0.14 1.29 -1.10 0.21 0.00 0.00 175.17 176.02 1jk9 s GLN 94 N -1.91 4.40 0.26 8.23 -0.21 -1.26 -4.87 119.66 124.30 1jk9 s GLN 94 Ca 0.35 2.02 -0.01 0.00 0.02 0.00 0.00 55.36 57.74 1jk9 s GLN 94 Cb -0.15 -3.21 0.50 0.00 1.00 0.00 0.00 33.01 31.16 1jk9 s GLN 94 CO 0.19 -0.23 1.79 0.87 -2.12 0.00 0.00 175.29 175.78 1jk9 h LYS 95 N 5.41 0.71 -0.01 2.91 6.56 -1.96 -2.05 116.57 128.15 1jk9 h LYS 95 Ca -0.45 -0.04 0.00 0.00 -1.06 0.00 0.00 60.65 59.10 1jk9 h LYS 95 Cb 1.21 -0.16 0.00 0.00 -0.57 0.00 0.00 32.23 32.71 1jk9 h LYS 95 CO 0.77 0.47 0.00 0.36 -2.06 0.00 0.00 179.45 178.99 1jk9 n LYS 96 N -4.79 1.14 -1.55 3.15 0.00 -1.26 -4.91 118.16 109.93 1jk9 n LYS 96 Ca 0.16 -0.20 -0.30 0.00 -0.00 0.00 0.00 58.31 57.97 1jk9 n LYS 96 Cb 0.38 -1.47 0.08 0.00 -0.00 0.00 0.00 35.03 34.02 1jk9 n LYS 96 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 1jk9 s ASP 97 N -1.94 4.77 0.06 -5.58 2.15 -0.77 -5.09 116.67 110.27 1jk9 s ASP 97 Ca 0.43 1.41 0.00 0.00 0.43 0.00 0.00 52.55 54.83 1jk9 s ASP 97 Cb 0.21 -2.19 0.00 0.00 -0.30 0.00 0.00 42.92 40.63 1jk9 s ASP 97 CO 0.34 -1.81 0.00 1.07 -0.17 0.00 0.00 175.17 174.60 1jk9 n THR 98 N -3.34 0.00 0.11 1.71 5.66 -1.26 -5.03 114.28 112.13 1jk9 n THR 98 Ca 0.07 0.00 0.04 0.00 -3.05 0.00 0.00 64.05 61.11 1jk9 n THR 98 Cb 0.55 -1.45 -0.06 0.00 -1.55 0.00 0.00 70.33 67.83 1jk9 n THR 98 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1jk9 n ALA 99 N -3.00 2.51 -1.85 1.79 0.00 -1.26 -4.99 120.51 113.71 1jk9 n ALA 99 Ca 0.00 -0.20 -0.41 0.00 0.00 0.00 0.00 53.44 52.83 1jk9 n ALA 99 Cb 0.00 -0.27 -0.02 0.00 0.00 0.00 0.00 19.45 19.15 1jk9 n ALA 99 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1jk9 s VAL 100 N -2.29 2.81 0.00 0.00 1.01 -1.26 -1.05 120.40 119.62 1jk9 s VAL 100 Ca -0.01 0.73 0.00 0.00 0.00 0.00 0.00 61.98 62.70 1jk9 s VAL 100 Cb 0.05 -3.47 0.00 0.00 0.00 0.00 0.00 36.38 32.97 1jk9 s VAL 100 CO 0.32 0.14 0.00 0.54 0.00 0.00 0.00 175.10 176.11 1jk9 n ARG 101 N 1.69 3.21 -3.77 2.72 5.12 0.11 -4.93 116.66 120.81 1jk9 n ARG 101 Ca 0.03 0.00 0.02 0.00 -1.93 0.00 0.00 57.85 55.98 1jk9 n ARG 101 Cb 0.41 -0.32 0.00 0.00 -1.16 0.00 0.00 32.46 31.40 1jk9 n ARG 101 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 1jk9 s GLY 102 N -0.54 -0.30 0.01 -0.13 0.00 -1.12 -1.32 107.32 103.92 1jk9 s GLY 102 Ca 0.00 0.44 0.00 0.00 0.00 0.00 0.00 44.72 45.16 1jk9 s GLY 102 CO 0.00 2.42 -0.01 -2.27 0.00 0.00 0.00 173.10 173.23 1jk9 s LEU 103 N -3.33 2.08 -0.24 0.66 2.96 0.07 -0.14 118.68 120.74 1jk9 s LEU 103 Ca 0.21 -0.17 0.03 0.00 -0.22 0.00 0.00 54.13 53.97 1jk9 s LEU 103 Cb 0.03 0.02 0.05 0.00 0.50 0.00 0.00 46.19 46.79 1jk9 s LEU 103 CO -0.03 -0.10 -0.12 0.00 -1.32 0.00 0.00 176.35 174.79 1jk9 s ALA 104 N -0.48 2.49 -0.26 5.97 0.00 -0.04 -1.47 121.76 127.97 1jk9 s ALA 104 Ca -0.05 -1.65 -0.07 0.00 0.00 0.00 0.00 51.96 50.19 1jk9 s ALA 104 Cb -0.03 -1.51 -0.02 0.00 0.00 0.00 0.00 23.12 21.56 1jk9 s ALA 104 CO -0.00 -1.05 0.08 0.50 0.00 0.00 0.00 175.76 175.28 1jk9 s ARG 105 N 1.15 3.51 -0.16 0.00 3.52 -0.67 -0.62 118.95 125.67 1jk9 s ARG 105 Ca -0.06 -0.58 -0.04 0.00 -0.13 0.00 0.00 55.73 54.92 1jk9 s ARG 105 Cb -0.19 -3.36 -0.03 0.00 -1.56 0.00 0.00 34.95 29.82 1jk9 s ARG 105 CO -0.06 -0.26 -0.02 0.42 -0.81 0.00 0.00 175.30 174.56 1jk9 s ILE 106 N 1.59 3.99 -0.05 4.11 1.01 0.13 -0.78 121.20 131.20 1jk9 s ILE 106 Ca 0.06 -0.32 -0.02 0.00 0.00 0.00 0.00 60.65 60.37 1jk9 s ILE 106 Cb -0.16 -2.76 0.03 0.00 0.01 0.00 0.00 42.46 39.58 1jk9 s ILE 106 CO 0.04 0.48 0.05 -0.69 0.00 0.00 0.00 174.94 174.82 1jk9 s VAL 107 N 0.42 -0.02 0.19 2.92 1.01 -0.85 -0.62 120.40 123.45 1jk9 s VAL 107 Ca -0.03 0.37 -0.30 0.00 0.00 0.00 0.00 61.98 62.02 1jk9 s VAL 107 Cb -0.14 -0.22 -0.08 0.00 0.00 0.00 0.00 36.38 35.93 1jk9 s VAL 107 CO 0.03 0.19 1.23 -1.58 0.00 0.00 0.00 175.10 174.97 1jk9 s GLN 108 N 2.13 4.46 0.00 2.72 0.74 0.16 -0.83 119.66 129.04 1jk9 s GLN 108 Ca 0.05 1.93 0.00 0.00 0.05 0.00 0.00 55.36 57.39 1jk9 s GLN 108 Cb -0.12 -3.22 0.00 0.00 1.10 0.00 0.00 33.01 30.77 1jk9 s GLN 108 CO -0.03 -0.13 0.38 1.33 -0.55 0.00 0.00 175.29 176.28 1jk9 n VAL 109 N 2.50 0.00 -3.92 1.34 0.24 0.76 -4.85 118.33 114.41 1jk9 n VAL 109 Ca 0.05 -0.38 -0.09 0.00 -2.04 0.00 0.00 64.34 61.87 1jk9 n VAL 109 Cb 0.44 1.24 -0.05 0.00 -1.47 0.00 0.00 33.84 33.99 1jk9 n VAL 109 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1jk9 s GLY 110 N -0.00 0.36 0.63 7.63 0.00 0.37 -4.75 107.32 111.57 1jk9 s GLY 110 Ca 0.00 -0.71 0.38 0.00 0.00 0.00 0.00 44.72 44.38 1jk9 s GLY 110 CO 0.00 -0.58 2.32 -2.09 0.00 0.00 0.00 173.10 172.75 1jk9 h GLU 111 N 2.31 0.00 -0.22 2.90 4.81 -2.01 -2.98 114.58 119.38 1jk9 h GLU 111 Ca -0.28 0.00 -0.20 0.00 -0.13 0.00 0.00 59.36 58.75 1jk9 h GLU 111 Cb 1.25 0.00 -0.31 0.00 0.63 0.00 0.00 28.75 30.32 1jk9 h GLU 111 CO 0.39 0.00 -0.80 -1.71 -0.73 0.00 0.00 179.01 176.16 1jk9 n ASN 112 N -3.45 0.41 -3.71 1.04 4.05 -1.26 -4.85 115.26 107.51 1jk9 n ASN 112 Ca -0.03 -2.08 -0.13 0.00 0.45 0.00 0.00 54.58 52.79 1jk9 n ASN 112 Cb 0.08 -0.05 -0.13 0.00 1.23 0.00 0.00 39.78 40.90 1jk9 n ASN 112 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 177.26 173.46 1jk9 s LYS 113 N -1.94 0.18 0.02 1.20 2.20 -1.13 -4.29 119.74 115.98 1jk9 s LYS 113 Ca 0.21 0.59 0.02 0.00 -0.36 0.00 0.00 55.97 56.43 1jk9 s LYS 113 Cb 0.35 -0.10 -0.01 0.00 -1.51 0.00 0.00 37.83 36.55 1jk9 s LYS 113 CO -0.08 -0.21 -0.08 0.95 -0.36 0.00 0.00 175.35 175.57 1jk9 s THR 114 N 1.65 0.61 0.11 3.43 -4.23 -0.88 -0.17 115.64 116.16 1jk9 s THR 114 Ca -0.06 -0.66 -0.06 0.00 -1.18 0.00 0.00 61.69 59.73 1jk9 s THR 114 Cb -0.11 -0.58 -0.06 0.00 1.34 0.00 0.00 72.50 73.10 1jk9 s THR 114 CO -0.08 -0.06 0.37 -0.76 -0.54 0.00 0.00 174.62 173.54 1jk9 s LEU 115 N -0.80 4.30 -0.20 4.79 1.43 -0.01 -2.36 118.68 125.83 1jk9 s LEU 115 Ca -0.02 0.63 0.01 0.00 -1.03 0.00 0.00 54.13 53.73 1jk9 s LEU 115 Cb -0.06 -3.14 0.04 0.00 0.03 0.00 0.00 46.19 43.06 1jk9 s LEU 115 CO 0.00 0.11 -0.11 -0.36 0.23 0.00 0.00 176.35 176.23 1jk9 s PHE 116 N -1.55 2.47 -0.83 0.29 0.40 -0.79 -2.01 117.98 115.97 1jk9 s PHE 116 Ca 0.37 -1.63 -0.15 0.00 -0.60 0.00 0.00 56.93 54.92 1jk9 s PHE 116 Cb -0.13 -1.66 0.20 0.00 0.51 0.00 0.00 43.02 41.94 1jk9 s PHE 116 CO 0.22 -0.75 0.80 0.34 0.70 0.00 0.00 175.22 176.53 1jk9 s ASP 117 N 1.38 6.72 -0.44 1.36 2.15 0.04 -0.52 116.67 127.36 1jk9 s ASP 117 Ca -0.01 -2.56 -0.17 0.00 0.43 0.00 0.00 52.55 50.23 1jk9 s ASP 117 Cb -0.16 -2.24 0.03 0.00 -0.30 0.00 0.00 42.92 40.25 1jk9 s ASP 117 CO -0.08 -0.65 0.46 -0.63 -0.17 0.00 0.00 175.17 174.09 1jk9 s ILE 118 N 0.57 5.07 -0.03 4.11 1.01 -0.64 -1.67 121.20 129.61 1jk9 s ILE 118 Ca 0.19 -0.44 0.07 0.00 0.00 0.00 0.00 60.65 60.47 1jk9 s ILE 118 Cb -0.10 -4.08 -0.02 0.00 0.01 0.00 0.00 42.46 38.26 1jk9 s ILE 118 CO -0.08 -0.49 -0.24 0.42 0.00 0.00 0.00 174.94 174.55 1jk9 s THR 119 N 2.15 2.25 -0.06 2.92 -4.23 -0.54 -0.74 115.64 117.39 1jk9 s THR 119 Ca 0.12 -1.03 0.05 0.00 -1.18 0.00 0.00 61.69 59.65 1jk9 s THR 119 Cb -0.18 -1.81 -0.01 0.00 1.34 0.00 0.00 72.50 71.85 1jk9 s THR 119 CO 0.13 0.58 -0.22 -0.69 -0.54 0.00 0.00 174.62 173.88 1jk9 s VAL 120 N -0.53 1.80 -0.16 2.29 1.01 -0.05 -0.75 120.40 124.01 1jk9 s VAL 120 Ca 0.07 -0.91 -0.05 0.00 0.00 0.00 0.00 61.98 61.09 1jk9 s VAL 120 Cb -0.11 -1.54 0.08 0.00 0.00 0.00 0.00 36.38 34.81 1jk9 s VAL 120 CO 0.00 0.51 0.32 0.21 0.00 0.00 0.00 175.10 176.14 1jk9 s ASN 121 N 0.03 0.22 0.00 3.32 2.47 -0.43 -0.10 114.94 120.44 1jk9 s ASN 121 Ca -0.07 0.64 0.00 0.00 0.42 0.00 0.00 52.86 53.85 1jk9 s ASN 121 Cb -0.14 0.92 0.00 0.00 -1.45 0.00 0.00 41.25 40.58 1jk9 s ASN 121 CO 0.04 -0.25 0.00 0.61 -3.72 0.00 0.00 177.10 173.78 1jk9 n GLY 122 N 5.36 1.23 3.75 1.21 0.00 0.44 -4.63 105.19 112.55 1jk9 n GLY 122 Ca -0.07 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.55 1jk9 n GLY 122 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1jk9 s VAL 123 N -2.00 4.03 0.29 1.61 -7.23 0.41 -4.66 120.40 112.85 1jk9 s VAL 123 Ca 0.00 2.00 0.17 0.00 -1.81 0.00 0.00 61.98 62.34 1jk9 s VAL 123 Cb 0.00 -4.27 0.13 0.00 0.56 0.00 0.00 36.38 32.80 1jk9 s VAL 123 CO 0.00 0.46 1.81 1.55 -0.31 0.00 0.00 175.10 178.61 1jk9 h PRO 124 N 4.27 0.00 -4.82 4.82 0.13 -1.88 0.20 132.00 134.73 1jk9 h PRO 124 Ca -0.45 0.00 -0.68 0.00 -0.87 0.00 0.00 66.00 64.00 1jk9 h PRO 124 Cb 1.20 0.00 -0.33 0.00 0.13 0.00 0.00 31.00 32.00 1jk9 h PRO 124 CO 0.68 0.36 -0.73 -2.00 -0.23 0.00 0.00 178.00 176.08 1jk9 s GLU 125 N -3.91 2.50 0.87 0.86 2.12 -1.26 -4.79 118.70 115.08 1jk9 s GLU 125 Ca -0.02 -1.21 -0.11 0.00 0.36 0.00 0.00 54.97 53.99 1jk9 s GLU 125 Cb 0.13 -3.08 0.12 0.00 0.26 0.00 0.00 34.13 31.56 1jk9 s GLU 125 CO 0.69 -0.56 1.17 0.00 -0.54 0.00 0.00 175.26 176.02 1jk9 s ALA 126 N 1.25 1.60 0.00 6.30 0.00 -1.26 -4.95 121.76 124.70 1jk9 s ALA 126 Ca -0.05 0.69 0.00 0.00 0.00 0.00 0.00 51.96 52.61 1jk9 s ALA 126 Cb -0.19 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.46 1jk9 s ALA 126 CO -0.03 -2.60 0.00 0.41 0.00 0.00 0.00 175.76 173.55 1jk9 n GLY 127 N 0.33 0.18 3.51 0.00 0.00 -0.22 -5.03 105.19 103.95 1jk9 n GLY 127 Ca 0.13 -1.77 -0.43 0.00 0.00 0.00 0.00 46.02 43.95 1jk9 n GLY 127 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1jk9 s ASN 128 N -1.58 6.26 0.34 1.61 -0.87 -1.26 -1.05 114.94 118.38 1jk9 s ASN 128 Ca 0.00 -0.41 -0.04 0.00 -1.57 0.00 0.00 52.86 50.85 1jk9 s ASN 128 Cb 0.00 -2.26 -0.04 0.00 -0.02 0.00 0.00 41.25 38.92 1jk9 s ASN 128 CO 0.00 -0.61 0.59 -0.31 -2.57 0.00 0.00 177.10 174.20 1jk9 s TYR 129 N 2.41 3.50 -0.08 2.20 1.51 0.39 -4.84 117.35 122.43 1jk9 s TYR 129 Ca 0.17 0.59 0.05 0.00 -1.01 0.00 0.00 57.07 56.87 1jk9 s TYR 129 Cb -0.16 -2.08 -0.01 0.00 -0.11 0.00 0.00 41.96 39.60 1jk9 s TYR 129 CO 0.15 0.08 -0.24 -1.01 -1.11 0.00 0.00 175.55 173.42 1jk9 s HIS 130 N -2.26 2.46 0.14 2.71 3.76 -1.07 0.20 115.29 121.23 1jk9 s HIS 130 Ca 0.43 -0.86 0.04 0.00 -0.15 0.00 0.00 55.06 54.53 1jk9 s HIS 130 Cb -0.10 -1.63 -0.04 0.00 1.11 0.00 0.00 32.58 31.92 1jk9 s HIS 130 CO 0.34 -0.31 0.14 0.00 -0.85 0.00 0.00 174.74 174.06 1jk9 s ALA 131 N 0.07 3.61 -0.02 -1.40 0.00 -1.26 -1.68 121.76 121.07 1jk9 s ALA 131 Ca -0.11 -1.15 -0.29 0.00 0.00 0.00 0.00 51.96 50.42 1jk9 s ALA 131 Cb -0.16 -1.42 0.11 0.00 0.00 0.00 0.00 23.12 21.65 1jk9 s ALA 131 CO 0.06 0.57 0.91 -1.54 0.00 0.00 0.00 175.76 175.76 1jk9 s SER 132 N -2.94 -0.35 -0.11 0.00 1.04 -0.87 -2.77 113.70 107.71 1jk9 s SER 132 Ca 0.31 0.00 -0.01 0.00 0.48 0.00 0.00 55.95 56.74 1jk9 s SER 132 Cb -0.11 0.36 -0.02 0.00 0.10 0.00 0.00 66.02 66.35 1jk9 s SER 132 CO 0.24 -0.59 -0.09 -0.63 0.98 0.00 0.00 173.24 173.15 1jk9 s ILE 133 N -3.04 3.48 0.01 -1.02 1.01 0.14 -1.68 121.20 120.10 1jk9 s ILE 133 Ca 0.05 -0.53 0.00 0.00 0.00 0.00 0.00 60.65 60.18 1jk9 s ILE 133 Cb -0.01 -2.46 -0.04 0.00 0.01 0.00 0.00 42.46 39.96 1jk9 s ILE 133 CO -0.09 0.54 0.07 -1.00 0.00 0.00 0.00 174.94 174.47 1jk9 s HIS 134 N -0.08 3.26 0.23 3.97 3.76 -0.31 0.11 115.29 126.22 1jk9 s HIS 134 Ca -0.00 0.18 -0.13 0.00 -0.15 0.00 0.00 55.06 54.95 1jk9 s HIS 134 Cb -0.13 -1.72 0.29 0.00 1.11 0.00 0.00 32.58 32.13 1jk9 s HIS 134 CO 0.03 0.54 1.44 -1.91 -0.85 0.00 0.00 174.74 174.00 1jk9 n GLU 135 N 1.10 -0.17 -4.39 1.40 2.13 -0.26 -2.67 120.64 117.78 1jk9 n GLU 135 Ca -0.12 1.44 -0.34 0.00 0.66 0.00 0.00 57.16 58.80 1jk9 n GLU 135 Cb 0.53 -2.14 -0.10 0.00 0.27 0.00 0.00 31.44 30.00 1jk9 n GLU 135 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1jk9 s LYS 136 N -5.98 2.84 -0.52 5.31 1.02 0.93 -4.74 119.74 118.60 1jk9 s LYS 136 Ca -0.13 -0.53 -0.02 0.00 0.02 0.00 0.00 55.97 55.31 1jk9 s LYS 136 Cb 0.21 -2.69 0.32 0.00 -0.52 0.00 0.00 37.83 35.15 1jk9 s LYS 136 CO 0.68 0.66 2.08 0.41 -0.92 0.00 0.00 175.35 178.26 1jk9 n GLY 137 N 1.83 5.00 3.30 -3.33 0.00 -1.06 -3.72 105.19 107.22 1jk9 n GLY 137 Ca -0.17 -1.78 -0.41 0.00 0.00 0.00 0.00 46.02 43.66 1jk9 n GLY 137 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1jk9 s ASP 138 N -0.79 5.77 -0.35 1.61 -1.08 -1.26 -4.86 116.67 115.70 1jk9 s ASP 138 Ca 0.49 -1.43 0.08 0.00 -0.52 0.00 0.00 52.55 51.17 1jk9 s ASP 138 Cb 0.38 -2.04 0.61 0.00 -1.46 0.00 0.00 42.92 40.42 1jk9 s ASP 138 CO -0.05 -0.55 1.69 1.33 0.52 0.00 0.00 175.17 178.11 1jk9 n VAL 139 N 4.99 2.85 0.35 1.11 0.24 -1.26 -3.12 118.33 123.50 1jk9 n VAL 139 Ca -0.11 -2.21 0.14 0.00 -2.04 0.00 0.00 64.34 60.12 1jk9 n VAL 139 Cb 0.43 -0.38 0.57 0.00 -1.47 0.00 0.00 33.84 32.99 1jk9 n VAL 139 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 1jk9 h SER 140 N 1.30 0.00 -0.45 -1.34 4.64 -1.92 -3.17 113.55 112.61 1jk9 h SER 140 Ca 0.38 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 61.45 1jk9 h SER 140 Cb 2.22 0.00 -0.37 0.00 -0.31 0.00 0.00 62.40 63.94 1jk9 h SER 140 CO 0.71 0.00 -1.04 0.29 -0.87 0.00 0.00 176.83 175.92 1jk9 n LYS 141 N -2.50 1.62 0.00 4.77 5.02 -1.26 -5.05 118.16 120.77 1jk9 n LYS 141 Ca 0.01 -3.24 0.00 0.00 -2.02 0.00 0.00 58.31 53.07 1jk9 n LYS 141 Cb 0.24 -1.35 0.00 0.00 -0.02 0.00 0.00 35.03 33.90 1jk9 n LYS 141 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1jk9 n GLY 142 N -0.63 -0.42 0.00 0.72 0.00 -1.20 -2.82 105.19 100.84 1jk9 n GLY 142 Ca 0.05 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 45.04 1jk9 n GLY 142 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1jk9 n VAL 143 N -0.64 0.73 0.07 1.61 0.24 -1.26 -1.93 118.33 117.15 1jk9 n VAL 143 Ca 0.00 0.19 -0.10 0.00 -2.04 0.00 0.00 64.34 62.39 1jk9 n VAL 143 Cb 0.00 -1.19 0.01 0.00 -1.47 0.00 0.00 33.84 31.18 1jk9 n VAL 143 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 1jk9 h GLU 144 N 0.00 0.32 -0.02 7.34 4.81 -1.87 -3.22 114.58 121.94 1jk9 h GLU 144 Ca 0.00 -0.30 0.00 0.00 -0.13 0.00 0.00 59.36 58.93 1jk9 h GLU 144 Cb 0.02 0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.48 1jk9 h GLU 144 CO 0.00 0.98 -0.07 -1.13 -0.73 0.00 0.00 179.01 178.06 1jk9 n SER 145 N -3.75 1.77 0.00 1.04 3.41 -0.81 -4.14 113.62 111.13 1jk9 n SER 145 Ca -0.04 -1.51 0.12 0.00 -0.26 0.00 0.00 58.87 57.18 1jk9 n SER 145 Cb 0.77 0.05 0.67 0.00 -0.26 0.00 0.00 64.21 65.44 1jk9 n SER 145 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1jk9 n THR 146 N 0.28 0.13 -4.11 6.66 -2.24 -1.18 -4.44 114.28 109.38 1jk9 n THR 146 Ca 0.16 0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.98 1jk9 n THR 146 Cb 0.41 -0.63 0.00 0.00 -2.10 0.00 0.00 70.33 68.01 1jk9 n THR 146 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jk9 n GLY 147 N 0.70 -1.55 3.91 3.38 0.00 -1.26 -0.05 105.19 110.33 1jk9 n GLY 147 Ca 0.15 -1.31 -0.27 0.00 0.00 0.00 0.00 46.02 44.58 1jk9 n GLY 147 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jk9 s LYS 148 N 0.00 2.51 0.02 1.61 -2.85 -1.26 -4.71 119.74 115.05 1jk9 s LYS 148 Ca 0.00 0.01 -0.30 0.00 -1.00 0.00 0.00 55.97 54.68 1jk9 s LYS 148 Cb 0.00 -2.14 -0.07 0.00 -2.06 0.00 0.00 37.83 33.56 1jk9 s LYS 148 CO 0.00 -1.09 1.69 0.08 0.10 0.00 0.00 175.35 176.12 1jk9 s VAL 149 N -3.24 3.25 -0.07 1.79 1.01 -1.26 -1.10 120.40 120.79 1jk9 s VAL 149 Ca 0.58 0.52 0.14 0.00 0.00 0.00 0.00 61.98 63.22 1jk9 s VAL 149 Cb -0.11 -3.34 -0.19 0.00 0.00 0.00 0.00 36.38 32.74 1jk9 s VAL 149 CO 0.47 -0.02 0.74 -0.25 0.00 0.00 0.00 175.10 176.03 1jk9 h TRP 150 N 9.05 0.00 -2.00 5.22 7.01 0.46 -3.45 115.95 132.24 1jk9 h TRP 150 Ca -0.42 0.00 -0.04 0.00 2.11 0.00 0.00 58.89 60.54 1jk9 h TRP 150 Cb 1.20 0.00 -0.21 0.00 -2.10 0.00 0.00 29.16 28.05 1jk9 h TRP 150 CO 0.84 0.85 0.13 -1.58 -2.79 0.00 0.00 178.44 175.89 1jk9 s HIS 151 N -2.71 -0.80 -0.24 2.65 2.46 -0.23 -4.95 115.29 111.47 1jk9 s HIS 151 Ca -0.04 1.93 0.01 0.00 0.47 0.00 0.00 55.06 57.44 1jk9 s HIS 151 Cb 0.08 0.28 0.06 0.00 -0.13 0.00 0.00 32.58 32.87 1jk9 s HIS 151 CO 0.82 -0.38 -0.08 0.21 -2.47 0.00 0.00 174.74 172.84 1jk9 s LYS 152 N 0.41 1.89 0.29 2.88 2.20 -1.26 0.25 119.74 126.40 1jk9 s LYS 152 Ca -0.00 -1.08 -0.29 0.00 -0.36 0.00 0.00 55.97 54.24 1jk9 s LYS 152 Cb -0.05 -2.66 -0.09 0.00 -1.51 0.00 0.00 37.83 33.51 1jk9 s LYS 152 CO 0.00 -0.56 1.08 -0.06 -0.36 0.00 0.00 175.35 175.45 1jk9 s PHE 153 N 1.30 3.58 -0.10 4.03 0.40 -1.11 -4.93 117.98 121.14 1jk9 s PHE 153 Ca -0.06 1.71 0.22 0.00 -0.60 0.00 0.00 56.93 58.20 1jk9 s PHE 153 Cb -0.19 -3.24 -0.27 0.00 0.51 0.00 0.00 43.02 39.84 1jk9 s PHE 153 CO -0.06 -0.47 0.60 -0.25 0.70 0.00 0.00 175.22 175.74 1jk9 n ASP 154 N 1.05 0.19 -4.62 1.36 8.00 -1.26 -4.61 116.55 116.66 1jk9 n ASP 154 Ca -0.00 0.03 -0.43 0.00 0.71 0.00 0.00 54.79 55.10 1jk9 n ASP 154 Cb 0.46 1.68 -0.02 0.00 -0.02 0.00 0.00 41.12 43.21 1jk9 n ASP 154 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1jk9 s GLU 155 N -3.47 3.72 0.89 -1.24 0.41 -1.26 -4.97 118.70 112.78 1jk9 s GLU 155 Ca -0.06 1.53 -0.11 0.00 -0.41 0.00 0.00 54.97 55.92 1jk9 s GLU 155 Cb 0.13 -4.04 0.13 0.00 -1.78 0.00 0.00 34.13 28.57 1jk9 s GLU 155 CO 0.89 -1.38 1.10 -2.14 -0.49 0.00 0.00 175.26 173.24 1jk9 s PRO 156 N 4.79 1.27 -0.42 0.39 0.02 -1.26 -4.71 135.00 135.08 1jk9 s PRO 156 Ca 0.70 1.14 -0.04 0.00 0.02 0.00 0.00 61.00 62.83 1jk9 s PRO 156 Cb -0.23 -1.79 0.11 0.00 0.02 0.00 0.00 34.50 32.62 1jk9 s PRO 156 CO 0.30 -2.32 0.22 0.42 -0.33 0.00 0.00 177.00 175.28 1jk9 s ILE 157 N -2.79 3.40 -0.48 2.83 1.01 0.13 -4.89 121.20 120.41 1jk9 s ILE 157 Ca 0.64 -2.03 -0.28 0.00 0.00 0.00 0.00 60.65 58.98 1jk9 s ILE 157 Cb -0.20 -3.32 0.01 0.00 0.01 0.00 0.00 42.46 38.96 1jk9 s ILE 157 CO 0.58 -0.70 1.38 -1.61 0.00 0.00 0.00 174.94 174.59 1jk9 s GLU 158 N 1.17 3.48 -0.73 2.79 2.02 -1.26 -0.47 118.70 125.69 1jk9 s GLU 158 Ca 0.08 0.70 -0.06 0.00 0.02 0.00 0.00 54.97 55.72 1jk9 s GLU 158 Cb -0.23 -4.05 0.19 0.00 0.10 0.00 0.00 34.13 30.14 1jk9 s GLU 158 CO -0.04 -1.69 0.60 0.00 0.02 0.00 0.00 175.26 174.14 1jk9 n PHE 160 N 3.38 0.00 -2.36 0.00 3.01 -1.12 -1.06 117.46 119.31 1jk9 n PHE 160 Ca 0.12 0.00 -0.36 0.00 1.01 0.00 0.00 57.45 58.22 1jk9 n PHE 160 Cb 0.40 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 39.85 1jk9 n PHE 160 CO 0.00 0.00 0.00 -0.80 1.01 0.00 0.00 176.76 176.97 1jk9 s ASN 161 N -0.56 6.13 0.63 4.37 0.01 -1.11 -4.86 114.94 119.55 1jk9 s ASN 161 Ca 0.00 2.14 -0.18 0.00 -0.71 0.00 0.00 52.86 54.11 1jk9 s ASN 161 Cb 0.00 -2.58 -0.02 0.00 0.41 0.00 0.00 41.25 39.06 1jk9 s ASN 161 CO 0.00 -0.93 1.21 -0.70 -1.51 0.00 0.00 177.10 175.17 1jk9 s GLU 162 N -2.99 2.78 -0.13 -0.60 2.12 -1.26 -1.72 118.70 116.90 1jk9 s GLU 162 Ca 0.67 1.82 -0.13 0.00 0.36 0.00 0.00 54.97 57.69 1jk9 s GLU 162 Cb -0.23 -1.90 -0.05 0.00 0.26 0.00 0.00 34.13 32.20 1jk9 s GLU 162 CO 0.28 -1.36 0.28 0.45 -0.54 0.00 0.00 175.26 174.37 1jk9 s SER 163 N -1.70 6.48 0.25 -1.70 0.15 -0.49 -4.47 113.70 112.22 1jk9 s SER 163 Ca 0.77 0.57 -0.05 0.00 0.70 0.00 0.00 55.95 57.93 1jk9 s SER 163 Cb -0.30 -2.17 0.31 0.00 -1.71 0.00 0.00 66.02 62.14 1jk9 s SER 163 CO 0.36 0.20 1.90 -2.24 1.20 0.00 0.00 173.24 174.66 1jk9 h ASP 164 N 6.04 1.05 0.00 5.45 2.03 -1.93 -3.42 116.42 125.63 1jk9 h ASP 164 Ca -0.45 -0.01 0.00 0.00 -0.73 0.00 0.00 57.03 55.84 1jk9 h ASP 164 Cb 1.18 -0.24 0.00 0.00 -0.83 0.00 0.00 39.33 39.44 1jk9 h ASP 164 CO 0.70 0.72 0.00 0.18 -1.03 0.00 0.00 179.24 179.81 1jk9 n LEU 165 N -4.47 0.00 -4.38 0.15 4.77 -1.26 -4.81 117.00 107.00 1jk9 n LEU 165 Ca 0.13 0.00 -0.46 0.00 -0.03 0.00 0.00 56.01 55.64 1jk9 n LEU 165 Cb 0.09 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.16 1jk9 n LEU 165 CO 0.34 0.00 -0.10 0.61 -1.33 0.00 0.00 177.39 176.91 1jk9 n GLY 166 N 1.02 -1.96 3.69 -0.72 0.00 -1.26 -4.84 105.19 101.13 1jk9 n GLY 166 Ca 0.00 0.25 -0.36 0.00 0.00 0.00 0.00 46.02 45.91 1jk9 n GLY 166 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1jk9 n LYS 167 N 1.07 0.77 -4.16 1.61 4.01 -1.26 -3.23 118.16 116.96 1jk9 n LYS 167 Ca 0.16 0.32 -0.32 0.00 -0.51 0.00 0.00 58.31 57.96 1jk9 n LYS 167 Cb 0.29 -2.44 -0.04 0.00 -0.51 0.00 0.00 35.03 32.33 1jk9 n LYS 167 CO 0.00 0.00 0.00 0.27 -1.11 0.00 0.00 177.40 176.56 1jk9 n ASN 168 N -2.15 -1.49 -4.72 4.39 6.94 -1.26 -4.99 115.26 111.98 1jk9 n ASN 168 Ca 0.15 -1.07 -0.28 0.00 -0.02 0.00 0.00 54.58 53.36 1jk9 n ASN 168 Cb 0.49 -2.61 -0.08 0.00 -2.36 0.00 0.00 39.78 35.22 1jk9 n ASN 168 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1jk9 s LEU 169 N -7.18 2.80 0.17 -4.53 1.43 -1.20 -4.99 118.68 105.19 1jk9 s LEU 169 Ca 0.37 -1.33 0.07 0.00 -1.03 0.00 0.00 54.13 52.21 1jk9 s LEU 169 Cb -0.20 -1.06 -0.04 0.00 0.03 0.00 0.00 46.19 44.91 1jk9 s LEU 169 CO 0.93 -0.64 -0.14 -0.31 0.23 0.00 0.00 176.35 176.42 1jk9 s TYR 170 N -2.72 1.58 0.16 0.29 1.51 0.70 -1.40 117.35 117.47 1jk9 s TYR 170 Ca 0.30 -0.59 -0.01 0.00 -1.01 0.00 0.00 57.07 55.75 1jk9 s TYR 170 Cb 0.05 -0.77 -0.04 0.00 -0.11 0.00 0.00 41.96 41.09 1jk9 s TYR 170 CO 0.16 0.26 0.10 -1.54 -1.11 0.00 0.00 175.55 173.42 1jk9 s SER 171 N -3.05 0.23 0.21 2.29 1.04 -0.70 -0.42 113.70 113.30 1jk9 s SER 171 Ca 0.18 -1.27 -0.22 0.00 0.48 0.00 0.00 55.95 55.12 1jk9 s SER 171 Cb -0.01 0.34 0.06 0.00 0.10 0.00 0.00 66.02 66.51 1jk9 s SER 171 CO 0.05 -0.78 0.95 -0.83 0.98 0.00 0.00 173.24 173.61 1jk9 s GLY 172 N -3.09 0.00 -0.25 7.32 0.00 0.85 -2.75 107.32 109.41 1jk9 s GLY 172 Ca 0.30 -0.21 -0.26 0.00 0.00 0.00 0.00 44.72 44.54 1jk9 s GLY 172 CO 0.06 0.89 1.04 -1.59 0.00 0.00 0.00 173.10 173.50 1jk9 s LYS 173 N -2.74 0.51 -0.05 2.90 -2.85 -1.26 -0.87 119.74 115.38 1jk9 s LYS 173 Ca 0.16 0.46 -0.05 0.00 -1.00 0.00 0.00 55.97 55.54 1jk9 s LYS 173 Cb -0.03 0.25 0.01 0.00 -2.06 0.00 0.00 37.83 36.00 1jk9 s LYS 173 CO 0.05 -0.09 0.14 -0.08 0.10 0.00 0.00 175.35 175.47 1jk9 s THR 174 N -0.13 0.00 -0.31 3.79 -1.32 0.08 -4.75 115.64 113.00 1jk9 s THR 174 Ca 0.02 -0.00 -0.08 0.00 -1.21 0.00 0.00 61.69 60.42 1jk9 s THR 174 Cb -0.04 -0.21 0.01 0.00 -1.51 0.00 0.00 72.50 70.76 1jk9 s THR 174 CO -0.05 -0.00 0.10 0.12 -2.21 0.00 0.00 174.62 172.59 1jk9 s PHE 175 N 0.07 3.17 0.57 9.09 5.36 -1.26 -1.63 117.98 133.35 1jk9 s PHE 175 Ca -0.00 -0.96 0.06 0.00 -0.96 0.00 0.00 56.93 55.07 1jk9 s PHE 175 Cb -0.01 -2.29 0.06 0.00 -0.34 0.00 0.00 43.02 40.44 1jk9 s PHE 175 CO 0.00 -0.58 0.49 1.28 -1.46 0.00 0.00 175.22 174.95 1jk9 n LEU 176 N 4.89 0.00 -3.66 6.12 4.77 0.33 -4.94 117.00 124.50 1jk9 n LEU 176 Ca -0.14 -2.89 -0.09 0.00 -0.03 0.00 0.00 56.01 52.86 1jk9 n LEU 176 Cb 0.48 -0.11 -0.08 0.00 -2.33 0.00 0.00 43.42 41.38 1jk9 n LEU 176 CO 0.32 -0.62 0.25 -0.55 -1.33 0.00 0.00 177.39 175.46 1jk9 s SER 177 N -4.38 -0.77 0.07 -1.43 0.15 -1.26 -1.89 113.70 104.20 1jk9 s SER 177 Ca 0.37 1.28 -0.18 0.00 0.70 0.00 0.00 55.95 58.11 1jk9 s SER 177 Cb -0.03 1.17 0.04 0.00 -1.71 0.00 0.00 66.02 65.49 1jk9 s SER 177 CO 0.23 -0.22 0.44 0.00 1.20 0.00 0.00 173.24 174.89 1jk9 s ALA 178 N 1.37 -1.07 -1.50 5.45 0.00 -0.99 -5.01 121.76 120.00 1jk9 s ALA 178 Ca -0.08 0.27 -0.13 0.00 0.00 0.00 0.00 51.96 52.01 1jk9 s ALA 178 Cb -0.06 0.47 0.01 0.00 0.00 0.00 0.00 23.12 23.54 1jk9 s ALA 178 CO -0.15 -0.53 2.41 -0.35 0.00 0.00 0.00 175.76 177.14 1jk9 n PRO 179 N 0.24 3.08 -3.65 0.00 -0.04 -1.26 -2.06 135.00 131.31 1jk9 n PRO 179 Ca -0.18 -2.51 -0.29 0.00 -0.04 0.00 0.00 63.50 60.47 1jk9 n PRO 179 Cb 0.61 -3.16 -0.13 0.00 -0.04 0.00 0.00 33.50 30.78 1jk9 n PRO 179 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1jk9 s LEU 180 N 1.65 2.05 0.24 1.53 1.43 -1.26 -4.93 118.68 119.39 1jk9 s LEU 180 Ca 0.53 -2.19 -0.31 0.00 -1.03 0.00 0.00 54.13 51.12 1jk9 s LEU 180 Cb 0.15 -0.80 -0.12 0.00 0.03 0.00 0.00 46.19 45.45 1jk9 s LEU 180 CO -0.08 -0.33 1.66 -0.81 0.23 0.00 0.00 176.35 177.02 1jk9 n PRO 181 N 4.10 2.68 -0.34 1.29 -0.04 -1.26 -4.57 135.00 136.86 1jk9 n PRO 181 Ca 0.06 0.96 0.20 0.00 -0.04 0.00 0.00 63.50 64.68 1jk9 n PRO 181 Cb 0.37 -2.77 0.39 0.00 -0.04 0.00 0.00 33.50 31.45 1jk9 n PRO 181 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 1jk9 h THR 182 N 3.59 0.01 -0.14 0.52 2.02 -1.87 0.15 112.91 117.19 1jk9 h THR 182 Ca -0.45 -0.00 0.04 0.00 0.77 0.00 0.00 66.41 66.77 1jk9 h THR 182 Cb 1.22 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.62 1jk9 h THR 182 CO 0.88 0.00 0.33 4.11 0.37 0.00 0.00 175.52 181.22 1jk9 h TRP 183 N 0.01 0.00 -0.01 3.16 5.08 -1.89 0.52 115.95 122.82 1jk9 h TRP 183 Ca 0.68 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.65 1jk9 h TRP 183 Cb 1.56 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.72 1jk9 h TRP 183 CO -0.34 0.00 -0.19 1.04 -1.28 0.00 0.00 178.44 177.66 1jk9 n GLN 184 N -3.24 0.87 -0.10 0.12 6.02 0.53 -4.26 117.38 117.33 1jk9 n GLN 184 Ca 0.01 -0.46 -0.15 0.00 -0.01 0.00 0.00 57.00 56.38 1jk9 n GLN 184 Cb 0.43 -1.49 -0.09 0.00 1.02 0.00 0.00 30.24 30.11 1jk9 n GLN 184 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1jk9 n LEU 185 N -0.66 2.70 -4.57 1.08 4.77 0.18 -4.89 117.00 115.62 1jk9 n LEU 185 Ca 0.13 -0.04 -0.51 0.00 -0.03 0.00 0.00 56.01 55.57 1jk9 n LEU 185 Cb 0.33 -0.68 -0.05 0.00 -2.33 0.00 0.00 43.42 40.69 1jk9 n LEU 185 CO 0.24 0.76 0.72 2.30 -1.33 0.00 0.00 177.39 180.09 1jk9 n ILE 186 N -3.24 0.60 0.00 -0.08 -5.35 -1.02 -0.81 119.36 109.45 1jk9 n ILE 186 Ca -0.36 -0.15 0.00 0.00 -0.27 0.00 0.00 62.75 61.97 1jk9 n ILE 186 Cb 0.86 -0.71 0.00 0.00 -1.74 0.00 0.00 39.64 38.04 1jk9 n ILE 186 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1jk9 n GLY 187 N 2.10 2.61 0.00 3.28 0.00 -0.29 -5.01 105.19 107.89 1jk9 n GLY 187 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1jk9 n GLY 187 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jk9 n ARG 188 N -2.00 0.89 -4.47 1.61 1.74 0.01 -2.56 116.66 111.88 1jk9 n ARG 188 Ca 0.00 0.00 -0.25 0.00 -0.77 0.00 0.00 57.85 56.83 1jk9 n ARG 188 Cb 0.00 0.00 -0.13 0.00 -1.02 0.00 0.00 32.46 31.31 1jk9 n ARG 188 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1jk9 s SER 189 N -1.00 2.52 -0.16 0.55 1.04 -1.09 -0.25 113.70 115.31 1jk9 s SER 189 Ca 0.00 -0.60 -0.05 0.00 0.48 0.00 0.00 55.95 55.78 1jk9 s SER 189 Cb 0.00 -0.17 -0.03 0.00 0.10 0.00 0.00 66.02 65.91 1jk9 s SER 189 CO 0.00 0.11 0.00 0.12 0.98 0.00 0.00 173.24 174.46 1jk9 s PHE 190 N -0.97 3.13 -0.06 5.02 5.36 -0.14 -1.17 117.98 129.15 1jk9 s PHE 190 Ca 0.07 -0.11 -0.00 0.00 -0.96 0.00 0.00 56.93 55.93 1jk9 s PHE 190 Cb -0.09 -1.99 0.02 0.00 -0.34 0.00 0.00 43.02 40.62 1jk9 s PHE 190 CO 0.03 0.09 -0.03 0.08 -1.46 0.00 0.00 175.22 173.92 1jk9 s VAL 191 N 0.25 0.54 -0.18 3.12 1.01 -0.68 -1.89 120.40 122.57 1jk9 s VAL 191 Ca 0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 61.98 61.92 1jk9 s VAL 191 Cb -0.13 -0.61 -0.00 0.00 0.00 0.00 0.00 36.38 35.63 1jk9 s VAL 191 CO 0.02 0.26 -0.11 -0.63 0.00 0.00 0.00 175.10 174.64 1jk9 s ILE 192 N 1.44 2.94 0.01 2.22 1.01 -0.83 -2.04 121.20 125.94 1jk9 s ILE 192 Ca -0.03 -0.66 -0.02 0.00 0.00 0.00 0.00 60.65 59.94 1jk9 s ILE 192 Cb -0.13 -2.28 -0.01 0.00 0.01 0.00 0.00 42.46 40.04 1jk9 s ILE 192 CO -0.03 0.48 0.02 -0.94 0.00 0.00 0.00 174.94 174.47 1jk9 s SER 193 N 1.05 0.17 0.07 3.58 1.04 -0.68 -2.04 113.70 116.89 1jk9 s SER 193 Ca -0.00 -0.39 0.06 0.00 0.48 0.00 0.00 55.95 56.09 1jk9 s SER 193 Cb -0.15 0.13 -0.03 0.00 0.10 0.00 0.00 66.02 66.07 1jk9 s SER 193 CO -0.02 -0.30 -0.16 -0.75 0.98 0.00 0.00 173.24 172.99 1jk9 s LYS 194 N -1.36 0.93 -0.05 4.02 2.20 0.24 -2.58 119.74 123.14 1jk9 s LYS 194 Ca -0.15 -0.93 -0.30 0.00 -0.36 0.00 0.00 55.97 54.23 1jk9 s LYS 194 Cb -0.09 -0.99 -0.04 0.00 -1.51 0.00 0.00 37.83 35.20 1jk9 s LYS 194 CO -0.00 0.23 1.37 0.45 -0.36 0.00 0.00 175.35 177.04 1jk9 s SER 195 N -1.56 6.88 0.25 1.43 0.15 -1.26 0.40 113.70 120.00 1jk9 s SER 195 Ca 0.01 1.99 -0.31 0.00 0.70 0.00 0.00 55.95 58.34 1jk9 s SER 195 Cb -0.09 -2.55 -0.12 0.00 -1.71 0.00 0.00 66.02 61.54 1jk9 s SER 195 CO 0.02 -0.73 1.60 0.18 1.20 0.00 0.00 173.24 175.51 1jk9 n LEU 196 N 5.81 3.96 -0.27 3.45 4.77 0.14 -4.83 117.00 130.03 1jk9 n LEU 196 Ca 0.13 1.12 -0.06 0.00 -0.03 0.00 0.00 56.01 57.17 1jk9 n LEU 196 Cb 0.44 -1.55 0.06 0.00 -2.33 0.00 0.00 43.42 40.04 1jk9 n LEU 196 CO 0.58 0.02 1.08 0.78 -1.33 0.00 0.00 177.39 178.52 1jk9 h ASN 197 N 5.32 0.96 -2.24 -1.43 2.35 -1.92 -3.34 115.58 115.27 1jk9 h ASN 197 Ca -0.45 -0.13 -0.60 0.00 -0.55 0.00 0.00 56.30 54.57 1jk9 h ASN 197 Cb 1.23 -0.25 -0.42 0.00 0.05 0.00 0.00 38.32 38.94 1jk9 h ASN 197 CO 0.84 0.82 -0.65 1.41 -1.65 0.00 0.00 177.43 178.21 1jk9 n HIS 198 N -4.41 3.16 0.28 1.19 8.25 -1.26 -4.93 115.22 117.51 1jk9 n HIS 198 Ca 0.06 -4.10 0.15 0.00 -0.26 0.00 0.00 57.72 53.57 1jk9 n HIS 198 Cb 0.13 -0.53 0.81 0.00 1.12 0.00 0.00 29.99 31.51 1jk9 n HIS 198 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1jk9 h PRO 199 N 4.26 0.00 -0.03 -0.41 0.13 -1.86 -2.13 132.00 131.97 1jk9 h PRO 199 Ca 0.18 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.22 1jk9 h PRO 199 Cb 0.69 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.81 1jk9 h PRO 199 CO 0.79 0.00 -0.40 0.93 -0.23 0.00 0.00 178.00 179.09 1jk9 h GLU 200 N 0.00 0.06 0.00 0.86 3.07 -1.91 -2.60 114.58 114.05 1jk9 h GLU 200 Ca 0.00 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.84 1jk9 h GLU 200 Cb 0.40 -0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.31 1jk9 h GLU 200 CO 0.00 0.45 0.00 0.09 -1.40 0.00 0.00 179.01 178.15 1jk9 n ASN 201 N -4.05 0.16 -3.88 1.42 3.02 -0.80 -3.90 115.26 107.22 1jk9 n ASN 201 Ca -0.02 0.52 -0.41 0.00 -0.03 0.00 0.00 54.58 54.64 1jk9 n ASN 201 Cb 0.44 -0.56 0.01 0.00 -0.61 0.00 0.00 39.78 39.05 1jk9 n ASN 201 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1jk9 n GLU 202 N -1.66 4.53 -1.53 3.52 -0.58 -0.98 -4.80 120.64 119.14 1jk9 n GLU 202 Ca 0.05 -4.59 -0.46 0.00 -0.42 0.00 0.00 57.16 51.74 1jk9 n GLU 202 Cb 0.29 -2.48 -0.05 0.00 -0.57 0.00 0.00 31.44 28.63 1jk9 n GLU 202 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 1jk9 n PRO 203 N 1.00 1.57 0.00 3.49 -0.04 -1.25 -4.07 135.00 135.70 1jk9 n PRO 203 Ca 0.30 0.42 0.00 0.00 -0.04 0.00 0.00 63.50 64.18 1jk9 n PRO 203 Cb 0.32 -2.90 0.00 0.00 -0.04 0.00 0.00 33.50 30.89 1jk9 n PRO 203 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1jk9 n SER 204 N 10.92 0.00 -1.07 3.54 3.41 -1.26 -4.94 113.62 124.22 1jk9 n SER 204 Ca 0.35 0.00 -0.03 0.00 -0.26 0.00 0.00 58.87 58.93 1jk9 n SER 204 Cb 0.35 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.29 1jk9 n SER 204 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1jk9 n SER 205 N 0.00 -0.75 -4.74 4.04 3.41 -1.26 -4.89 113.62 109.43 1jk9 n SER 205 Ca 0.00 0.07 -0.41 0.00 -0.26 0.00 0.00 58.87 58.27 1jk9 n SER 205 Cb 0.00 -1.09 -0.05 0.00 -0.26 0.00 0.00 64.21 62.81 1jk9 n SER 205 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1jk9 s VAL 206 N -1.23 4.55 0.00 -3.33 1.01 -1.26 -4.94 120.40 115.20 1jk9 s VAL 206 Ca 0.00 1.92 0.00 0.00 0.00 0.00 0.00 61.98 63.90 1jk9 s VAL 206 Cb 0.00 -4.25 0.00 0.00 0.00 0.00 0.00 36.38 32.13 1jk9 s VAL 206 CO 0.00 0.35 0.00 0.29 0.00 0.00 0.00 175.10 175.74 1jk9 n LYS 207 N 2.69 2.90 -4.81 2.72 4.76 -1.26 -4.77 118.16 120.38 1jk9 n LYS 207 Ca 0.00 0.00 -0.29 0.00 -2.87 0.00 0.00 58.31 55.15 1jk9 n LYS 207 Cb 0.49 -0.98 -0.14 0.00 -1.84 0.00 0.00 35.03 32.56 1jk9 n LYS 207 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1jk9 s ASP 208 N -3.19 2.99 -0.25 4.39 1.01 -1.26 0.23 116.67 120.59 1jk9 s ASP 208 Ca 0.00 -0.58 -0.18 0.00 0.71 0.00 0.00 52.55 52.50 1jk9 s ASP 208 Cb 0.00 -0.26 -0.03 0.00 1.01 0.00 0.00 42.92 43.64 1jk9 s ASP 208 CO 0.00 0.23 0.49 -0.47 0.21 0.00 0.00 175.17 175.63 1jk9 s TYR 209 N -0.82 3.29 -0.05 4.23 5.04 0.16 -4.83 117.35 124.38 1jk9 s TYR 209 Ca 0.11 0.63 -0.08 0.00 -2.44 0.00 0.00 57.07 55.29 1jk9 s TYR 209 Cb -0.10 -2.68 0.01 0.00 0.35 0.00 0.00 41.96 39.54 1jk9 s TYR 209 CO 0.02 -0.23 0.19 -1.54 -1.34 0.00 0.00 175.55 172.66 1jk9 s SER 210 N 1.45 -0.13 -0.02 4.32 1.04 -1.26 -0.60 113.70 118.51 1jk9 s SER 210 Ca 0.21 0.19 0.03 0.00 0.48 0.00 0.00 55.95 56.86 1jk9 s SER 210 Cb -0.16 0.34 -0.01 0.00 0.10 0.00 0.00 66.02 66.30 1jk9 s SER 210 CO 0.09 -0.20 -0.12 0.72 0.98 0.00 0.00 173.24 174.72 1jk9 s PHE 211 N -0.49 1.08 0.33 5.02 -0.12 -0.87 -4.25 117.98 118.68 1jk9 s PHE 211 Ca -0.06 -0.23 0.02 0.00 -0.05 0.00 0.00 56.93 56.61 1jk9 s PHE 211 Cb -0.04 -0.71 -0.01 0.00 -0.63 0.00 0.00 43.02 41.62 1jk9 s PHE 211 CO 0.01 -0.05 0.37 -0.48 -0.05 0.00 0.00 175.22 175.02 1jk9 s LEU 212 N -0.14 1.33 -0.10 -1.99 2.34 0.22 -1.97 118.68 118.37 1jk9 s LEU 212 Ca 0.02 -1.59 -0.30 0.00 0.06 0.00 0.00 54.13 52.32 1jk9 s LEU 212 Cb -0.06 1.00 0.12 0.00 -0.56 0.00 0.00 46.19 46.69 1jk9 s LEU 212 CO -0.00 -1.16 0.98 -0.83 -1.06 0.00 0.00 176.35 174.28 1jk9 s GLY 213 N -3.29 -0.35 0.08 -3.48 0.00 -0.79 -0.72 107.32 98.76 1jk9 s GLY 213 Ca 0.35 1.52 -0.30 0.00 0.00 0.00 0.00 44.72 46.30 1jk9 s GLY 213 CO 0.23 0.65 1.01 0.14 0.00 0.00 0.00 173.10 175.13 1jk9 s VAL 214 N -2.20 4.47 -0.29 1.40 1.01 -1.26 -0.96 120.40 122.56 1jk9 s VAL 214 Ca 0.03 1.94 -0.29 0.00 0.00 0.00 0.00 61.98 63.66 1jk9 s VAL 214 Cb -0.01 -4.24 -0.01 0.00 0.00 0.00 0.00 36.38 32.12 1jk9 s VAL 214 CO -0.04 0.24 1.54 -0.63 0.00 0.00 0.00 175.10 176.21 1jk9 s ILE 215 N 0.38 3.79 0.29 2.22 1.01 0.65 -4.56 121.20 124.98 1jk9 s ILE 215 Ca 0.50 0.86 0.07 0.00 0.00 0.00 0.00 60.65 62.08 1jk9 s ILE 215 Cb -0.24 -3.89 -0.03 0.00 0.01 0.00 0.00 42.46 38.31 1jk9 s ILE 215 CO 0.30 -0.45 0.32 0.00 0.00 0.00 0.00 174.94 175.11 1jk9 s ALA 216 N 5.36 3.87 0.33 9.38 0.00 0.18 -1.14 121.76 139.73 1jk9 s ALA 216 Ca 0.68 -1.44 -0.27 0.00 0.00 0.00 0.00 51.96 50.92 1jk9 s ALA 216 Cb -0.20 -1.45 -0.09 0.00 0.00 0.00 0.00 23.12 21.37 1jk9 s ALA 216 CO 0.29 0.13 1.08 1.03 0.00 0.00 0.00 175.76 178.30 1jk9 s ARG 217 N -3.98 4.45 0.07 0.00 0.52 -1.26 -0.67 118.95 118.07 1jk9 s ARG 217 Ca 0.38 1.70 0.08 0.00 -0.52 0.00 0.00 55.73 57.37 1jk9 s ARG 217 Cb -0.08 -2.94 -0.03 0.00 0.52 0.00 0.00 34.95 32.42 1jk9 s ARG 217 CO 0.28 0.07 -0.22 0.45 0.02 0.00 0.00 175.30 175.89 1jk9 s SER 218 N -1.13 2.63 0.36 0.23 0.15 -1.10 -4.69 113.70 110.15 1jk9 s SER 218 Ca 0.50 -0.59 -0.27 0.00 0.70 0.00 0.00 55.95 56.28 1jk9 s SER 218 Cb -0.28 -0.20 -0.09 0.00 -1.71 0.00 0.00 66.02 63.74 1jk9 s SER 218 CO 0.36 0.14 1.22 0.00 1.20 0.00 0.00 173.24 176.16 1jk9 s ALA 219 N -0.93 3.31 0.59 5.45 0.00 -1.26 -4.50 121.76 124.43 1jk9 s ALA 219 Ca 0.08 1.08 -0.00 0.00 0.00 0.00 0.00 51.96 53.12 1jk9 s ALA 219 Cb -0.09 -3.42 0.05 0.00 0.00 0.00 0.00 23.12 19.66 1jk9 s ALA 219 CO 0.03 -0.55 0.84 0.20 0.00 0.00 0.00 175.76 176.28 1jk9 s GLY 220 N -0.84 1.80 0.31 0.00 0.00 -1.26 -2.10 107.32 105.23 1jk9 s GLY 220 Ca 0.53 -1.28 -0.27 0.00 0.00 0.00 0.00 44.72 43.70 1jk9 s GLY 220 CO 0.45 -0.95 0.96 3.33 0.00 0.00 0.00 173.10 176.89 1jk9 n VAL 221 N -2.49 2.04 -1.66 1.40 0.24 -0.87 -1.64 118.33 115.35 1jk9 n VAL 221 Ca 0.08 -0.50 -0.14 0.00 -2.04 0.00 0.00 64.34 61.75 1jk9 n VAL 221 Cb 0.60 -0.95 -0.05 0.00 -1.47 0.00 0.00 33.84 31.97 1jk9 n VAL 221 CO 0.00 0.00 0.00 0.79 -2.14 0.00 0.00 176.83 175.48 1jk9 n TRP 222 N 0.04 -0.58 0.89 6.34 7.02 -1.26 -4.83 117.44 125.06 1jk9 n TRP 222 Ca 0.10 0.00 0.09 0.00 -1.02 0.00 0.00 57.50 56.67 1jk9 n TRP 222 Cb 0.33 -2.74 -0.05 0.00 -2.42 0.00 0.00 31.31 26.43 1jk9 n TRP 222 CO 0.00 0.00 0.00 -1.91 -2.02 0.00 0.00 177.69 173.76 1jk9 n GLU 223 N -2.15 1.15 -3.56 -0.99 2.13 -0.65 -4.86 120.64 111.70 1jk9 n GLU 223 Ca -0.15 -0.54 -0.27 0.00 0.66 0.00 0.00 57.16 56.86 1jk9 n GLU 223 Cb 0.50 -1.39 -0.16 0.00 0.27 0.00 0.00 31.44 30.66 1jk9 n GLU 223 CO 0.00 0.00 0.00 1.21 -0.41 0.00 0.00 177.13 177.93 1jk9 s ASN 224 N -2.47 2.90 0.19 4.31 3.04 -1.26 -4.91 114.94 116.75 1jk9 s ASN 224 Ca 0.13 -0.95 0.26 0.00 0.04 0.00 0.00 52.86 52.33 1jk9 s ASN 224 Cb 0.15 -0.25 0.68 0.00 -1.54 0.00 0.00 41.25 40.29 1jk9 s ASN 224 CO 0.62 -0.40 1.66 0.59 -3.04 0.00 0.00 177.10 176.53 1jk9 n ASN 225 N 5.27 0.81 -4.49 -4.21 3.02 -1.26 -4.94 115.26 109.46 1jk9 n ASN 225 Ca -0.06 0.47 -0.47 0.00 -0.03 0.00 0.00 54.58 54.49 1jk9 n ASN 225 Cb 0.45 -0.57 -0.03 0.00 -0.61 0.00 0.00 39.78 39.03 1jk9 n ASN 225 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 1jk9 n LYS 226 N -2.25 0.60 0.00 3.52 4.81 -1.26 -4.90 118.16 118.68 1jk9 n LYS 226 Ca 0.05 0.21 0.00 0.00 -0.87 0.00 0.00 58.31 57.70 1jk9 n LYS 226 Cb 0.44 -1.39 0.00 0.00 0.02 0.00 0.00 35.03 34.09 1jk9 n LYS 226 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 1jk9 n GLN 227 N 0.93 4.63 -3.04 1.64 6.02 -1.26 -5.13 117.38 121.18 1jk9 n GLN 227 Ca 0.14 0.00 -0.09 0.00 -0.01 0.00 0.00 57.00 57.04 1jk9 n GLN 227 Cb 0.27 -0.39 -0.03 0.00 1.02 0.00 0.00 30.24 31.12 1jk9 n GLN 227 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 1jk9 n VAL 228 N 0.00 0.00 -3.54 5.09 0.24 -1.26 -5.19 118.33 113.67 1jk9 n VAL 228 Ca 0.00 -1.14 -0.11 0.00 -2.04 0.00 0.00 64.34 61.05 1jk9 n VAL 228 Cb 0.00 0.61 -0.04 0.00 -1.47 0.00 0.00 33.84 32.94 1jk9 n VAL 228 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1jk9 n ALA 230 N 0.42 0.09 -3.30 0.00 0.00 -1.26 -4.99 120.51 111.47 1jk9 n ALA 230 Ca -0.11 0.46 -0.12 0.00 0.00 0.00 0.00 53.44 53.67 1jk9 n ALA 230 Cb 0.59 -2.17 -0.01 0.00 0.00 0.00 0.00 19.45 17.86 1jk9 n ALA 230 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jk9 n THR 232 N -0.57 0.00 0.00 0.00 -2.24 -1.26 -5.14 114.28 105.07 1jk9 n THR 232 Ca -0.03 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 1jk9 n THR 232 Cb 0.61 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.84 1jk9 n THR 232 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jk9 n GLY 233 N 0.00 0.52 2.52 3.38 0.00 -1.26 -4.92 105.19 105.43 1jk9 n GLY 233 Ca 0.00 -0.20 -0.13 0.00 0.00 0.00 0.00 46.02 45.69 1jk9 n GLY 233 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1jk9 n LYS 234 N 4.11 -3.17 -3.06 1.61 4.81 -1.26 -5.01 118.16 116.18 1jk9 n LYS 234 Ca 0.00 0.52 -0.42 0.00 -0.87 0.00 0.00 58.31 57.55 1jk9 n LYS 234 Cb 0.00 -4.58 -0.06 0.00 0.02 0.00 0.00 35.03 30.41 1jk9 n LYS 234 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 1jk9 s THR 235 N -2.95 4.88 0.46 3.15 2.01 -1.26 -4.92 115.64 117.00 1jk9 s THR 235 Ca 0.20 0.86 0.30 0.00 0.31 0.00 0.00 61.69 63.36 1jk9 s THR 235 Cb -0.09 -4.07 0.30 0.00 0.01 0.00 0.00 72.50 68.65 1jk9 s THR 235 CO 0.25 -0.23 1.89 1.62 -0.69 0.00 0.00 174.62 177.46 1jk9 h VAL 236 N 5.61 0.00 0.00 3.82 3.04 -1.99 0.38 116.25 127.10 1jk9 h VAL 236 Ca -0.26 0.00 -0.08 0.00 -1.01 0.00 0.00 66.70 65.35 1jk9 h VAL 236 Cb 1.11 0.66 -0.01 0.00 -2.01 0.00 0.00 31.29 31.04 1jk9 h VAL 236 CO 0.84 0.00 -0.55 -0.50 -1.01 0.00 0.00 177.57 176.35 1jk9 h TRP 237 N 0.00 0.00 0.17 3.17 6.55 -2.00 -2.98 115.95 120.86 1jk9 h TRP 237 Ca 0.00 0.00 -0.32 0.00 0.95 0.00 0.00 58.89 59.52 1jk9 h TRP 237 Cb 0.42 0.00 0.01 0.00 -0.86 0.00 0.00 29.16 28.73 1jk9 h TRP 237 CO 0.00 0.34 -1.58 0.93 -1.05 0.00 0.00 178.44 177.09 1jk9 h GLU 238 N 0.00 0.36 -0.87 0.49 3.07 -0.71 -2.53 114.58 114.38 1jk9 h GLU 238 Ca -0.02 -0.61 0.21 0.00 -0.50 0.00 0.00 59.36 58.44 1jk9 h GLU 238 Cb 1.28 0.23 -0.12 0.00 -0.84 0.00 0.00 28.75 29.30 1jk9 h GLU 238 CO 0.04 1.29 0.35 1.49 -1.40 0.00 0.00 179.01 180.78 1jk9 h GLU 239 N -0.04 0.36 0.04 2.33 4.81 -1.24 0.24 114.58 121.08 1jk9 h GLU 239 Ca -0.32 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 58.89 1jk9 h GLU 239 Cb 1.98 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 31.27 1jk9 h GLU 239 CO 0.15 0.24 -0.02 -0.09 -0.73 0.00 0.00 179.01 178.56 1jk9 h ARG 240 N 0.37 -0.05 -0.30 1.92 2.43 -1.58 -1.87 114.38 115.31 1jk9 h ARG 240 Ca 0.54 0.00 0.09 0.00 -0.81 0.00 0.00 59.98 59.80 1jk9 h ARG 240 Cb 1.01 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.55 1jk9 h ARG 240 CO -0.53 0.60 0.35 -0.22 -1.51 0.00 0.00 179.97 178.67 1jk9 h LYS 241 N -0.80 0.00 0.00 0.20 3.64 -0.94 0.31 116.57 118.99 1jk9 h LYS 241 Ca -0.01 0.00 -0.16 0.00 -1.27 0.00 0.00 60.65 59.22 1jk9 h LYS 241 Cb 0.68 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.47 1jk9 h LYS 241 CO 0.01 0.00 -1.66 -0.25 -2.27 0.00 0.00 179.45 175.27 1jk9 n ASP 242 N -3.66 0.54 0.23 4.20 8.00 0.01 -3.86 116.55 122.01 1jk9 n ASP 242 Ca 0.05 0.23 0.15 0.00 0.71 0.00 0.00 54.79 55.93 1jk9 n ASP 242 Cb 0.50 0.69 0.54 0.00 -0.02 0.00 0.00 41.12 42.83 1jk9 n ASP 242 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1jk9 h ALA 243 N 1.51 1.00 -1.79 2.24 0.00 -0.10 -3.26 119.26 118.87 1jk9 h ALA 243 Ca -0.19 0.00 -0.78 0.00 0.00 0.00 0.00 54.91 53.94 1jk9 h ALA 243 Cb 1.54 0.00 -0.30 0.00 0.00 0.00 0.00 17.79 19.03 1jk9 h ALA 243 CO 0.03 0.00 0.65 1.28 0.00 0.00 0.00 179.25 181.21 1jk9 n LEU 244 N -2.92 6.33 0.00 0.00 4.32 -0.64 -5.08 117.00 119.01 1jk9 n LEU 244 Ca 0.02 -5.31 0.06 0.00 -0.02 0.00 0.00 56.01 50.76 1jk9 n LEU 244 Cb 0.35 -1.15 0.34 0.00 -1.62 0.00 0.00 43.42 41.34 1jk9 n LEU 244 CO 0.28 1.85 0.56 0.00 -1.22 0.00 0.00 177.39 178.86