#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jxs n SER 2 N 0.00 4.20 -3.49 -2.24 7.64 -1.26 -4.92 113.62 113.55 1jxs n SER 2 Ca 0.00 -3.60 -0.27 0.00 1.01 0.00 0.00 58.87 56.01 1jxs n SER 2 Cb 0.00 -0.60 -0.09 0.00 -1.01 0.00 0.00 64.21 62.51 1jxs n SER 2 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1jxs n LYS 3 N 0.11 1.96 -2.60 1.43 0.00 -1.26 -3.78 118.16 114.02 1jxs n LYS 3 Ca 0.31 -4.33 -0.43 0.00 0.00 0.00 0.00 58.31 53.86 1jxs n LYS 3 Cb 0.40 -2.07 -0.02 0.00 0.00 0.00 0.00 35.03 33.34 1jxs n LYS 3 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 1jxs s PRO 4 N -1.91 3.73 0.13 1.64 0.04 -1.26 -4.97 135.00 132.41 1jxs s PRO 4 Ca 0.35 0.59 -0.29 0.00 0.04 0.00 0.00 61.00 61.69 1jxs s PRO 4 Cb 0.10 -3.90 -0.06 0.00 0.04 0.00 0.00 34.50 30.67 1jxs s PRO 4 CO -0.07 -1.37 0.92 -1.25 0.04 0.00 0.00 177.00 175.27 1jxs s PRO 5 N 4.44 4.69 0.00 0.56 0.04 -1.26 -5.05 135.00 138.42 1jxs s PRO 5 Ca 0.48 1.38 0.00 0.00 0.04 0.00 0.00 61.00 62.91 1jxs s PRO 5 Cb -0.07 -3.35 0.00 0.00 0.04 0.00 0.00 34.50 31.12 1jxs s PRO 5 CO 0.31 0.30 0.00 0.66 0.04 0.00 0.00 177.00 178.31 1jxs n TYR 6 N 2.48 -0.04 -2.73 0.56 4.02 -1.26 -5.10 117.16 115.08 1jxs n TYR 6 Ca 0.00 0.00 -0.35 0.00 -0.01 0.00 0.00 57.90 57.54 1jxs n TYR 6 Cb 0.49 0.00 -0.06 0.00 -0.02 0.00 0.00 39.34 39.75 1jxs n TYR 6 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 176.86 174.73 1jxs s SER 7 N -0.11 6.96 0.27 7.72 0.01 -1.26 -4.93 113.70 122.36 1jxs s SER 7 Ca 0.00 1.82 0.02 0.00 1.31 0.00 0.00 55.95 59.10 1jxs s SER 7 Cb 0.00 -2.56 0.38 0.00 0.21 0.00 0.00 66.02 64.05 1jxs s SER 7 CO 0.00 -0.34 1.71 1.88 0.41 0.00 0.00 173.24 176.90 1jxs h TYR 8 N 2.35 0.56 -0.11 2.43 0.05 -1.99 -1.14 116.97 119.13 1jxs h TYR 8 Ca -0.48 -0.12 -0.17 0.00 0.05 0.00 0.00 58.73 58.00 1jxs h TYR 8 Cb 1.19 -0.14 0.01 0.00 1.01 0.00 0.00 36.73 38.80 1jxs h TYR 8 CO 0.61 0.72 -0.60 0.00 -1.05 0.00 0.00 178.16 177.84 1jxs h ALA 9 N 1.28 0.22 0.00 3.88 0.00 -1.92 -3.06 119.26 119.66 1jxs h ALA 9 Ca 0.06 -0.54 -0.03 0.00 0.00 0.00 0.00 54.91 54.40 1jxs h ALA 9 Cb 0.69 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 1jxs h ALA 9 CO 0.05 0.47 -0.14 0.37 0.00 0.00 0.00 179.25 180.00 1jxs h GLN 10 N 0.23 0.00 0.00 0.00 4.15 -1.75 -2.18 115.11 115.55 1jxs h GLN 10 Ca -0.04 0.00 -0.12 0.00 0.77 0.00 0.00 58.65 59.26 1jxs h GLN 10 Cb 1.24 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.91 1jxs h GLN 10 CO 0.12 0.14 -0.58 -0.07 -1.93 0.00 0.00 178.83 176.51 1jxs h LEU 11 N 0.00 0.00 0.19 -2.39 3.38 -1.12 -2.98 115.31 112.40 1jxs h LEU 11 Ca -0.00 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.69 1jxs h LEU 11 Cb 0.25 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.03 1jxs h LEU 11 CO 0.02 0.58 -1.29 0.40 0.09 0.00 0.00 178.44 178.23 1jxs h ILE 12 N 0.00 1.28 0.00 1.22 2.04 -1.34 -3.23 117.51 117.48 1jxs h ILE 12 Ca -0.01 -2.58 0.00 0.00 1.00 0.00 0.00 64.86 63.28 1jxs h ILE 12 Cb 1.21 3.02 0.00 0.00 -0.74 0.00 0.00 36.82 40.30 1jxs h ILE 12 CO 0.07 0.77 0.00 0.52 0.00 0.00 0.00 178.15 179.52 1jxs n VAL 13 N -3.87 0.00 0.05 1.67 0.31 -0.87 -1.36 118.33 114.26 1jxs n VAL 13 Ca -0.18 1.14 0.18 0.00 -0.01 0.00 0.00 64.34 65.46 1jxs n VAL 13 Cb 0.98 -1.88 0.40 0.00 -0.91 0.00 0.00 33.84 32.43 1jxs n VAL 13 CO 0.00 0.00 0.00 0.06 -1.32 0.00 0.00 176.83 175.57 1jxs h GLN 14 N 0.00 0.00 0.09 5.55 3.07 -1.70 -2.10 115.11 120.02 1jxs h GLN 14 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 58.74 1jxs h GLN 14 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.56 1jxs h GLN 14 CO 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 178.83 178.88 1jxs h ALA 15 N 0.61 -0.54 -0.76 0.06 0.00 -1.23 0.37 119.26 117.77 1jxs h ALA 15 Ca 0.26 -0.03 0.18 0.00 0.00 0.00 0.00 54.91 55.32 1jxs h ALA 15 Cb 2.14 0.05 -0.12 0.00 0.00 0.00 0.00 17.79 19.86 1jxs h ALA 15 CO -0.00 -0.53 0.11 0.82 0.00 0.00 0.00 179.25 179.64 1jxs h ILE 16 N -0.20 0.40 -0.27 0.00 2.04 -1.06 0.47 117.51 118.89 1jxs h ILE 16 Ca -0.01 -0.06 -0.06 0.00 1.00 0.00 0.00 64.86 65.73 1jxs h ILE 16 Cb 0.09 0.21 -0.02 0.00 -0.74 0.00 0.00 36.82 36.36 1jxs h ILE 16 CO 0.02 0.03 -0.09 0.71 0.00 0.00 0.00 178.15 178.82 1jxs h THR 17 N 0.18 1.21 0.00 -0.27 1.35 -1.57 -1.39 112.91 112.43 1jxs h THR 17 Ca 0.43 -0.90 0.00 0.00 -0.55 0.00 0.00 66.41 65.40 1jxs h THR 17 Cb 0.78 1.11 0.00 0.00 -1.73 0.00 0.00 68.15 68.31 1jxs h THR 17 CO -0.60 0.29 0.00 0.23 -0.25 0.00 0.00 175.52 175.19 1jxs n MET 18 N -4.24 0.07 -3.14 4.72 2.81 0.15 -4.72 117.12 112.77 1jxs n MET 18 Ca 0.01 0.20 -0.39 0.00 -1.81 0.00 0.00 57.70 55.71 1jxs n MET 18 Cb 0.29 -1.61 -0.06 0.00 -0.71 0.00 0.00 33.22 31.13 1jxs n MET 18 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1jxs s ALA 19 N -3.07 3.49 -2.00 3.04 0.00 -0.40 -4.93 121.76 117.88 1jxs s ALA 19 Ca 0.09 0.14 0.06 0.00 0.00 0.00 0.00 51.96 52.26 1jxs s ALA 19 Cb 0.13 -2.80 0.39 0.00 0.00 0.00 0.00 23.12 20.83 1jxs s ALA 19 CO 0.41 0.24 1.25 -0.35 0.00 0.00 0.00 175.76 177.31 1jxs n PRO 20 N 2.24 1.00 -0.00 0.00 -0.04 -1.26 -3.01 135.00 133.92 1jxs n PRO 20 Ca -0.07 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.42 1jxs n PRO 20 Cb 0.50 -1.10 -0.03 0.00 -0.04 0.00 0.00 33.50 32.83 1jxs n PRO 20 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1jxs n ASP 21 N -0.60 0.53 0.00 3.54 9.92 -1.26 -4.97 116.55 123.70 1jxs n ASP 21 Ca 0.05 -0.59 0.00 0.00 -0.53 0.00 0.00 54.79 53.72 1jxs n ASP 21 Cb 0.02 1.02 0.00 0.00 -0.64 0.00 0.00 41.12 41.52 1jxs n ASP 21 CO 0.00 0.00 0.00 1.17 0.13 0.00 0.00 177.20 178.50 1jxs n LYS 22 N -1.18 -0.82 -4.14 -1.24 4.81 -1.16 -4.97 118.16 109.45 1jxs n LYS 22 Ca 0.01 0.21 -0.15 0.00 -0.87 0.00 0.00 58.31 57.50 1jxs n LYS 22 Cb 0.09 -3.84 -0.14 0.00 0.02 0.00 0.00 35.03 31.17 1jxs n LYS 22 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 1jxs s GLN 23 N -0.84 0.43 -0.08 1.64 -0.21 -1.26 -3.04 119.66 116.30 1jxs s GLN 23 Ca 0.00 -0.26 -0.18 0.00 0.02 0.00 0.00 55.36 54.94 1jxs s GLN 23 Cb 0.00 -0.39 0.04 0.00 1.00 0.00 0.00 33.01 33.66 1jxs s GLN 23 CO 0.00 0.10 0.43 -1.17 -2.12 0.00 0.00 175.29 172.53 1jxs s LEU 24 N -0.31 0.38 0.88 2.90 1.98 -1.16 -4.95 118.68 118.39 1jxs s LEU 24 Ca 0.00 0.51 -0.14 0.00 -2.89 0.00 0.00 54.13 51.61 1jxs s LEU 24 Cb -0.03 1.59 0.13 0.00 0.66 0.00 0.00 46.19 48.54 1jxs s LEU 24 CO -0.00 -0.36 1.24 0.28 -1.89 0.00 0.00 176.35 175.61 1jxs s THR 25 N -0.71 2.00 0.18 3.68 -1.32 -1.26 -1.58 115.64 116.62 1jxs s THR 25 Ca -0.08 0.00 0.32 0.00 -1.21 0.00 0.00 61.69 60.72 1jxs s THR 25 Cb -0.04 -2.99 0.36 0.00 -1.51 0.00 0.00 72.50 68.33 1jxs s THR 25 CO 0.04 0.00 1.99 0.17 -2.21 0.00 0.00 174.62 174.61 1jxs h LEU 26 N -1.32 0.00 -0.00 9.08 8.10 -1.92 -0.81 115.31 128.44 1jxs h LEU 26 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.54 1jxs h LEU 26 Cb 1.29 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.51 1jxs h LEU 26 CO 0.54 0.05 -0.05 0.59 -4.11 0.00 0.00 178.44 175.46 1jxs n ASN 27 N -3.19 0.06 -0.19 0.17 4.13 -1.26 -3.72 115.26 111.25 1jxs n ASN 27 Ca 0.00 0.41 0.00 0.00 1.68 0.00 0.00 54.58 56.67 1jxs n ASN 27 Cb 0.31 -0.41 0.10 0.00 -1.54 0.00 0.00 39.78 38.23 1jxs n ASN 27 CO 0.00 0.00 0.00 1.23 0.28 0.00 0.00 177.26 178.77 1jxs h GLY 28 N 5.00 0.75 0.60 7.41 0.00 -1.48 0.31 103.07 115.66 1jxs h GLY 28 Ca 0.00 -0.04 0.15 0.00 0.00 0.00 0.00 47.33 47.44 1jxs h GLY 28 CO 0.00 -0.09 0.54 -2.22 0.00 0.00 0.00 176.54 174.76 1jxs h ILE 29 N 0.27 0.80 0.59 2.60 5.03 -1.76 -1.26 117.51 123.79 1jxs h ILE 29 Ca 0.30 -0.18 -0.03 0.00 -0.12 0.00 0.00 64.86 64.84 1jxs h ILE 29 Cb 0.43 0.24 -0.00 0.00 -3.03 0.00 0.00 36.82 34.46 1jxs h ILE 29 CO -0.38 0.09 -0.37 1.88 -0.68 0.00 0.00 178.15 178.70 1jxs h TYR 30 N 0.52 -0.99 0.00 1.37 0.05 -0.62 -1.12 116.97 116.19 1jxs h TYR 30 Ca 0.40 -0.01 0.00 0.00 0.05 0.00 0.00 58.73 59.18 1jxs h TYR 30 Cb 0.82 0.35 0.00 0.00 1.01 0.00 0.00 36.73 38.91 1jxs h TYR 30 CO -0.00 -0.55 0.00 2.41 -1.05 0.00 0.00 178.16 178.97 1jxs n THR 31 N -4.70 1.16 0.05 -2.88 -1.04 -0.90 -1.74 114.28 104.22 1jxs n THR 31 Ca -0.11 0.29 -0.20 0.00 -2.04 0.00 0.00 64.05 61.99 1jxs n THR 31 Cb 0.37 -1.19 -0.14 0.00 -1.82 0.00 0.00 70.33 67.55 1jxs n THR 31 CO 0.00 0.00 0.00 -0.74 -0.64 0.00 0.00 175.07 173.69 1jxs h HIS 32 N 0.00 0.56 0.00 -1.42 6.17 -0.24 -3.28 115.15 116.94 1jxs h HIS 32 Ca 0.00 -0.41 0.00 0.00 0.71 0.00 0.00 60.37 60.67 1jxs h HIS 32 Cb 0.07 -0.02 0.00 0.00 2.52 0.00 0.00 27.41 29.98 1jxs h HIS 32 CO 0.00 1.60 0.00 -0.89 0.71 0.00 0.00 177.93 179.35 1jxs n ILE 33 N -3.50 0.00 -0.59 6.26 2.08 -0.52 -2.76 119.36 120.33 1jxs n ILE 33 Ca -0.24 1.06 0.46 0.00 0.56 0.00 0.00 62.75 64.59 1jxs n ILE 33 Cb 1.06 -2.00 0.74 0.00 -0.75 0.00 0.00 39.64 38.69 1jxs n ILE 33 CO 0.00 0.00 0.00 0.35 0.56 0.00 0.00 176.55 177.46 1jxs n THR 34 N -1.74 -0.12 0.31 1.39 -2.24 -1.06 0.10 114.28 110.92 1jxs n THR 34 Ca 0.00 1.62 -0.17 0.00 -2.27 0.00 0.00 64.05 63.24 1jxs n THR 34 Cb 0.00 -2.68 -0.09 0.00 -2.10 0.00 0.00 70.33 65.46 1jxs n THR 34 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1jxs h LYS 35 N 0.00 -0.71 0.00 -0.78 1.57 -1.60 -3.20 116.57 111.84 1jxs h LYS 35 Ca 0.90 0.05 0.00 0.00 -1.87 0.00 0.00 60.65 59.73 1jxs h LYS 35 Cb 3.28 0.16 0.00 0.00 0.08 0.00 0.00 32.23 35.75 1jxs h LYS 35 CO -0.23 -0.48 -0.16 -0.91 -0.57 0.00 0.00 179.45 177.11 1jxs h ASN 36 N -0.74 0.00 -3.16 0.86 2.35 0.87 -3.43 115.58 112.33 1jxs h ASN 36 Ca -0.07 0.00 -0.73 0.00 -0.55 0.00 0.00 56.30 54.95 1jxs h ASN 36 Cb 0.57 0.00 -0.21 0.00 0.05 0.00 0.00 38.32 38.73 1jxs h ASN 36 CO 0.12 0.36 -0.13 -0.31 -1.65 0.00 0.00 177.43 175.81 1jxs s TYR 37 N -1.52 3.15 -0.14 1.19 2.02 0.19 -4.91 117.35 117.34 1jxs s TYR 37 Ca -0.05 -0.94 0.20 0.00 -0.37 0.00 0.00 57.07 55.91 1jxs s TYR 37 Cb 0.01 -3.58 0.38 0.00 -0.40 0.00 0.00 41.96 38.37 1jxs s TYR 37 CO 0.07 -1.00 1.60 -1.00 -1.57 0.00 0.00 175.55 173.64 1jxs h PRO 38 N 8.93 0.00 -0.24 -1.71 0.13 -1.71 -2.80 132.00 134.60 1jxs h PRO 38 Ca -0.29 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.79 1jxs h PRO 38 Cb 1.10 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.22 1jxs h PRO 38 CO 0.98 0.31 -0.06 -0.92 -0.23 0.00 0.00 178.00 178.07 1jxs h TYR 39 N 0.00 0.39 -0.37 1.56 5.03 -1.90 -3.13 116.97 118.56 1jxs h TYR 39 Ca -0.00 -0.04 0.04 0.00 2.58 0.00 0.00 58.73 61.31 1jxs h TYR 39 Cb 1.11 -0.11 -0.07 0.00 1.55 0.00 0.00 36.73 39.21 1jxs h TYR 39 CO 0.00 0.45 -0.46 -0.92 -1.32 0.00 0.00 178.16 175.91 1jxs h TYR 40 N 0.36 -1.41 -0.92 -3.82 5.03 -1.75 -3.00 116.97 111.46 1jxs h TYR 40 Ca 0.08 0.07 -0.67 0.00 2.58 0.00 0.00 58.73 60.79 1jxs h TYR 40 Cb 0.35 0.66 -0.08 0.00 1.55 0.00 0.00 36.73 39.20 1jxs h TYR 40 CO 0.01 -0.39 2.08 0.50 -1.32 0.00 0.00 178.16 179.03 1jxs s ARG 41 N -5.14 3.92 0.00 1.82 3.52 -1.18 -3.90 118.95 117.99 1jxs s ARG 41 Ca -0.12 -1.86 0.00 0.00 -0.13 0.00 0.00 55.73 53.62 1jxs s ARG 41 Cb 0.07 -5.50 0.00 0.00 -1.56 0.00 0.00 34.95 27.96 1jxs s ARG 41 CO 0.50 -2.24 0.00 2.41 -0.81 0.00 0.00 175.30 175.16 1jxs n THR 42 N 6.46 0.00 0.00 4.11 -1.04 -1.13 -5.04 114.28 117.63 1jxs n THR 42 Ca 0.46 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.47 1jxs n THR 42 Cb 0.47 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.98 1jxs n THR 42 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1jxs n ALA 43 N -1.99 3.00 -1.65 2.41 0.00 -1.25 -4.96 120.51 116.07 1jxs n ALA 43 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.05 1jxs n ALA 43 Cb 0.00 0.01 -0.03 0.00 0.00 0.00 0.00 19.45 19.43 1jxs n ALA 43 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1jxs s ASP 44 N -4.92 4.90 -0.19 0.00 1.01 -1.26 -4.77 116.67 111.44 1jxs s ASP 44 Ca 0.00 1.24 0.16 0.00 0.71 0.00 0.00 52.55 54.65 1jxs s ASP 44 Cb 0.00 -2.51 0.75 0.00 1.01 0.00 0.00 42.92 42.18 1jxs s ASP 44 CO 0.00 -2.50 1.67 1.17 0.21 0.00 0.00 175.17 175.72 1jxs n LYS 45 N 8.92 4.31 -0.12 8.23 4.81 -1.26 -4.30 118.16 138.76 1jxs n LYS 45 Ca 0.32 -3.03 0.12 0.00 -0.87 0.00 0.00 58.31 54.84 1jxs n LYS 45 Cb 0.51 -2.09 0.22 0.00 0.02 0.00 0.00 35.03 33.69 1jxs n LYS 45 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1jxs n GLY 46 N 0.65 1.27 0.64 3.14 0.00 -1.26 -4.06 105.19 105.57 1jxs n GLY 46 Ca 0.26 -0.68 0.11 0.00 0.00 0.00 0.00 46.02 45.72 1jxs n GLY 46 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 1jxs n TRP 47 N 1.25 0.00 0.00 1.61 4.27 -1.26 -4.19 117.44 119.12 1jxs n TRP 47 Ca 0.18 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.79 1jxs n TRP 47 Cb 0.56 0.00 0.00 0.00 -1.36 0.00 0.00 31.31 30.51 1jxs n TRP 47 CO 0.00 0.00 0.00 1.04 -2.29 0.00 0.00 177.69 176.44 1jxs n GLN 48 N 0.44 0.00 0.17 -2.67 6.02 -1.26 -3.34 117.38 116.74 1jxs n GLN 48 Ca 0.10 0.00 0.17 0.00 -0.01 0.00 0.00 57.00 57.27 1jxs n GLN 48 Cb 0.50 -0.18 0.64 0.00 1.02 0.00 0.00 30.24 32.22 1jxs n GLN 48 CO 0.00 0.00 0.00 -0.97 -1.01 0.00 0.00 177.06 175.08 1jxs h ASN 49 N 0.00 0.00 -0.60 1.08 -0.00 -1.86 -0.41 115.58 113.79 1jxs h ASN 49 Ca 0.00 0.00 0.09 0.00 -0.00 0.00 0.00 56.30 56.39 1jxs h ASN 49 Cb 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 38.32 38.25 1jxs h ASN 49 CO 0.00 0.00 0.22 0.77 -0.00 0.00 0.00 177.43 178.42 1jxs h SER 50 N 0.00 0.21 -0.01 1.15 4.64 -1.73 -2.71 113.55 115.10 1jxs h SER 50 Ca 0.14 0.08 0.02 0.00 -0.47 0.00 0.00 61.79 61.56 1jxs h SER 50 Cb 1.31 0.07 -0.04 0.00 -0.31 0.00 0.00 62.40 63.42 1jxs h SER 50 CO -0.00 0.12 -0.40 0.40 -0.87 0.00 0.00 176.83 176.08 1jxs h ILE 51 N 0.39 0.00 -1.46 0.95 1.08 -1.06 0.33 117.51 117.74 1jxs h ILE 51 Ca 0.31 0.00 0.44 0.00 -0.39 0.00 0.00 64.86 65.21 1jxs h ILE 51 Cb 0.38 0.00 -0.09 0.00 -3.07 0.00 0.00 36.82 34.04 1jxs h ILE 51 CO -0.31 0.00 1.01 -0.09 -0.69 0.00 0.00 178.15 178.06 1jxs h ARG 52 N -0.50 0.07 -0.39 2.37 1.12 -1.66 0.52 114.38 115.92 1jxs h ARG 52 Ca 0.01 -0.00 -0.00 0.00 -1.11 0.00 0.00 59.98 58.88 1jxs h ARG 52 Cb 0.54 -0.02 -0.02 0.00 -0.01 0.00 0.00 29.97 30.46 1jxs h ARG 52 CO -0.28 0.04 0.24 1.25 -3.11 0.00 0.00 179.97 178.12 1jxs h HIS 53 N 0.07 0.51 0.00 2.20 2.76 -0.17 -2.33 115.15 118.19 1jxs h HIS 53 Ca 0.77 0.00 -0.06 0.00 -2.20 0.00 0.00 60.37 58.89 1jxs h HIS 53 Cb 2.76 -0.17 -0.01 0.00 1.55 0.00 0.00 27.41 31.54 1jxs h HIS 53 CO -0.00 0.35 -0.27 -0.91 -1.30 0.00 0.00 177.93 175.79 1jxs h ASN 54 N 0.52 0.00 -0.75 3.26 2.35 0.29 -3.16 115.58 118.08 1jxs h ASN 54 Ca 0.14 0.00 0.22 0.00 -0.55 0.00 0.00 56.30 56.11 1jxs h ASN 54 Cb -0.02 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.32 1jxs h ASN 54 CO -0.03 0.27 0.85 -0.07 -1.65 0.00 0.00 177.43 176.81 1jxs h LEU 55 N 0.00 0.00 0.02 1.61 3.38 -0.60 0.52 115.31 120.24 1jxs h LEU 55 Ca -0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1jxs h LEU 55 Cb 1.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.84 1jxs h LEU 55 CO 0.04 0.00 -0.01 0.28 0.09 0.00 0.00 178.44 178.83 1jxs h SER 56 N 0.00 -0.03 -1.24 -0.43 0.02 -1.65 -3.07 113.55 107.16 1jxs h SER 56 Ca 0.36 -0.72 0.36 0.00 -0.84 0.00 0.00 61.79 60.95 1jxs h SER 56 Cb 2.06 0.01 -0.08 0.00 0.14 0.00 0.00 62.40 64.53 1jxs h SER 56 CO -0.00 0.75 0.84 0.25 -1.14 0.00 0.00 176.83 177.53 1jxs h LEU 57 N -0.84 0.19 -7.23 5.07 5.85 -0.16 -2.07 115.31 116.12 1jxs h LEU 57 Ca -0.00 0.05 -0.74 0.00 0.84 0.00 0.00 57.88 58.03 1jxs h LEU 57 Cb 0.74 0.03 -0.16 0.00 0.37 0.00 0.00 40.66 41.64 1jxs h LEU 57 CO 0.00 -0.01 1.72 0.59 -0.34 0.00 0.00 178.44 180.40 1jxs n ASN 58 N -4.41 5.11 0.00 1.25 3.02 -0.77 -4.78 115.26 114.68 1jxs n ASN 58 Ca 0.29 -3.01 0.06 0.00 -0.03 0.00 0.00 54.58 51.89 1jxs n ASN 58 Cb 1.23 -1.56 0.34 0.00 -0.61 0.00 0.00 39.78 39.18 1jxs n ASN 58 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1jxs n ARG 59 N 5.26 0.59 0.00 3.52 3.00 -0.78 -2.23 116.66 126.02 1jxs n ARG 59 Ca 0.39 0.00 0.15 0.00 -0.01 0.00 0.00 57.85 58.38 1jxs n ARG 59 Cb 0.41 -1.30 0.69 0.00 0.00 0.00 0.00 32.46 32.26 1jxs n ARG 59 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.63 180.11 1jxs n TYR 60 N -0.80 0.00 -2.49 -1.55 0.18 -1.26 -4.80 117.16 106.44 1jxs n TYR 60 Ca 0.09 0.00 -0.23 0.00 1.88 0.00 0.00 57.90 59.63 1jxs n TYR 60 Cb 0.04 -0.16 0.05 0.00 -0.38 0.00 0.00 39.34 38.88 1jxs n TYR 60 CO 0.00 0.00 0.00 -0.06 -2.08 0.00 0.00 176.86 174.72 1jxs s PHE 61 N -2.39 2.94 -0.59 -3.48 0.08 -0.95 -3.19 117.98 110.41 1jxs s PHE 61 Ca 0.33 0.22 0.04 0.00 0.12 0.00 0.00 56.93 57.63 1jxs s PHE 61 Cb 0.20 -2.87 0.16 0.00 -0.57 0.00 0.00 43.02 39.94 1jxs s PHE 61 CO 0.45 -1.02 0.39 0.96 -0.10 0.00 0.00 175.22 175.89 1jxs s ILE 62 N -2.93 2.26 -0.01 0.64 -5.25 0.50 -4.88 121.20 111.53 1jxs s ILE 62 Ca 0.57 -3.61 -0.30 0.00 -0.99 0.00 0.00 60.65 56.32 1jxs s ILE 62 Cb -0.10 -2.52 -0.04 0.00 2.95 0.00 0.00 42.46 42.75 1jxs s ILE 62 CO 0.41 -0.98 1.17 -1.59 -1.79 0.00 0.00 174.94 172.16 1jxs s LYS 63 N -0.75 4.40 -0.59 0.37 -2.85 -1.25 -3.02 119.74 116.06 1jxs s LYS 63 Ca 0.23 1.66 0.04 0.00 -1.00 0.00 0.00 55.97 56.91 1jxs s LYS 63 Cb -0.11 -3.48 0.15 0.00 -2.06 0.00 0.00 37.83 32.33 1jxs s LYS 63 CO -0.11 -0.34 0.36 0.14 0.10 0.00 0.00 175.35 175.50 1jxs s VAL 64 N 1.71 2.56 -0.11 1.79 -7.23 -1.10 -4.92 120.40 113.10 1jxs s VAL 64 Ca 0.56 -3.65 -0.23 0.00 -1.81 0.00 0.00 61.98 56.86 1jxs s VAL 64 Cb -0.25 -2.73 -0.19 0.00 0.56 0.00 0.00 36.38 33.76 1jxs s VAL 64 CO 0.25 -0.91 0.71 1.55 -0.31 0.00 0.00 175.10 176.39 1jxs h PRO 65 N 6.03 -0.03 -4.86 4.82 0.13 -1.91 -3.32 132.00 132.86 1jxs h PRO 65 Ca 0.03 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 64.51 1jxs h PRO 65 Cb 0.84 0.01 -0.20 0.00 0.13 0.00 0.00 31.00 31.77 1jxs h PRO 65 CO 0.68 0.65 -0.55 1.03 -0.23 0.00 0.00 178.00 179.58 1jxs s ARG 66 N -2.51 3.67 0.00 0.86 0.52 -1.26 -4.62 118.95 115.61 1jxs s ARG 66 Ca -0.14 -0.50 0.00 0.00 -0.52 0.00 0.00 55.73 54.57 1jxs s ARG 66 Cb -0.01 -3.57 0.00 0.00 0.52 0.00 0.00 34.95 31.88 1jxs s ARG 66 CO 0.54 -0.27 0.00 -1.13 0.02 0.00 0.00 175.30 174.45 1jxs n SER 67 N 5.01 0.00 -3.85 0.23 3.41 -1.26 -5.00 113.62 112.16 1jxs n SER 67 Ca -0.14 0.00 -0.35 0.00 -0.26 0.00 0.00 58.87 58.11 1jxs n SER 67 Cb 0.51 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.48 1jxs n SER 67 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jxs n GLN 68 N 0.00 -0.85 -1.53 4.33 3.00 -1.26 -4.56 117.38 116.50 1jxs n GLN 68 Ca 0.00 0.41 -0.22 0.00 -0.01 0.00 0.00 57.00 57.18 1jxs n GLN 68 Cb 0.00 -3.05 -0.12 0.00 0.00 0.00 0.00 30.24 27.07 1jxs n GLN 68 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.06 175.15 1jxs n GLU 69 N -4.09 0.39 -0.00 -1.09 2.13 -1.26 -4.71 120.64 112.01 1jxs n GLU 69 Ca -0.15 -0.39 -0.11 0.00 0.66 0.00 0.00 57.16 57.17 1jxs n GLU 69 Cb 0.60 -2.60 -0.09 0.00 0.27 0.00 0.00 31.44 29.62 1jxs n GLU 69 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 1jxs h GLU 70 N 13.02 -0.09 0.00 5.31 5.08 -1.86 -3.46 114.58 132.58 1jxs h GLU 70 Ca -0.02 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1jxs h GLU 70 Cb 1.11 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.38 1jxs h GLU 70 CO 1.26 0.47 0.00 -0.35 -1.00 0.00 0.00 179.01 179.39 1jxs n PRO 71 N -4.80 0.69 -0.06 2.33 -0.04 -1.26 -4.96 135.00 126.89 1jxs n PRO 71 Ca -0.08 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.26 1jxs n PRO 71 Cb 0.30 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 33.77 1jxs n PRO 71 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1jxs h GLY 72 N -0.02 0.84 0.00 0.55 0.00 -2.02 -3.42 103.07 99.00 1jxs h GLY 72 Ca 0.00 -0.93 0.00 0.00 0.00 0.00 0.00 47.33 46.40 1jxs h GLY 72 CO 0.00 0.84 0.00 1.17 0.00 0.00 0.00 176.54 178.55 1jxs n LYS 73 N -4.00 0.00 0.00 4.80 3.00 -1.26 -5.10 118.16 115.59 1jxs n LYS 73 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.28 1jxs n LYS 73 Cb 0.59 -0.11 0.00 0.00 0.00 0.00 0.00 35.03 35.51 1jxs n LYS 73 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1jxs n GLY 74 N 3.07 0.65 3.50 3.14 0.00 -1.26 -4.76 105.19 109.54 1jxs n GLY 74 Ca 0.00 -0.69 -0.05 0.00 0.00 0.00 0.00 46.02 45.28 1jxs n GLY 74 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1jxs s SER 75 N 0.00 -0.80 -0.19 1.61 0.15 -1.25 -3.80 113.70 109.42 1jxs s SER 75 Ca 0.00 1.34 -0.14 0.00 0.70 0.00 0.00 55.95 57.85 1jxs s SER 75 Cb 0.00 1.74 0.05 0.00 -1.71 0.00 0.00 66.02 66.10 1jxs s SER 75 CO 0.00 -0.22 0.47 0.12 1.20 0.00 0.00 173.24 174.81 1jxs s PHE 76 N 2.47 -0.61 -0.66 3.44 5.36 -1.26 -4.67 117.98 122.05 1jxs s PHE 76 Ca -0.06 1.37 -0.15 0.00 -0.96 0.00 0.00 56.93 57.14 1jxs s PHE 76 Cb -0.10 0.26 0.17 0.00 -0.34 0.00 0.00 43.02 43.00 1jxs s PHE 76 CO -0.17 -0.32 0.60 -1.58 -1.46 0.00 0.00 175.22 172.30 1jxs s TRP 77 N 0.86 3.47 0.03 10.12 0.52 -0.61 -2.69 118.94 130.64 1jxs s TRP 77 Ca -0.05 -1.63 -0.17 0.00 0.02 0.00 0.00 56.10 54.27 1jxs s TRP 77 Cb -0.06 -3.79 -0.06 0.00 -1.15 0.00 0.00 33.47 28.42 1jxs s TRP 77 CO -0.07 -1.00 0.50 0.50 0.02 0.00 0.00 176.95 176.90 1jxs s ARG 78 N 0.97 4.09 0.11 4.98 3.52 -1.17 -2.99 118.95 128.46 1jxs s ARG 78 Ca 0.09 0.59 -0.30 0.00 -0.13 0.00 0.00 55.73 55.99 1jxs s ARG 78 Cb -0.21 -3.24 -0.06 0.00 -1.56 0.00 0.00 34.95 29.88 1jxs s ARG 78 CO -0.02 0.64 0.99 -1.50 -0.81 0.00 0.00 175.30 174.60 1jxs s ILE 79 N -1.02 4.41 0.94 4.11 1.10 -1.17 -0.37 121.20 129.21 1jxs s ILE 79 Ca 0.27 1.99 -0.15 0.00 -0.51 0.00 0.00 60.65 62.25 1jxs s ILE 79 Cb -0.18 -4.27 0.17 0.00 0.15 0.00 0.00 42.46 38.32 1jxs s ILE 79 CO 0.16 0.30 1.22 -1.81 -2.11 0.00 0.00 174.94 172.71 1jxs s ASP 80 N 0.06 3.26 0.14 4.50 1.01 -1.19 -4.82 116.67 119.62 1jxs s ASP 80 Ca 0.48 0.58 -0.08 0.00 0.71 0.00 0.00 52.55 54.24 1jxs s ASP 80 Cb -0.24 -0.87 -0.06 0.00 1.01 0.00 0.00 42.92 42.76 1jxs s ASP 80 CO 0.30 -2.67 1.37 1.55 0.21 0.00 0.00 175.17 175.93 1jxs h PRO 81 N -1.59 0.63 -0.93 8.23 0.13 -1.96 -2.97 132.00 133.54 1jxs h PRO 81 Ca -0.46 -0.51 -0.59 0.00 -0.87 0.00 0.00 66.00 63.57 1jxs h PRO 81 Cb 1.29 0.10 -0.30 0.00 0.13 0.00 0.00 31.00 32.22 1jxs h PRO 81 CO 0.49 1.13 0.60 0.00 -0.23 0.00 0.00 178.00 179.99 1jxs n ALA 82 N -2.56 5.90 0.09 -0.56 0.00 -1.26 -4.54 120.51 117.58 1jxs n ALA 82 Ca -0.06 -3.33 0.00 0.00 0.00 0.00 0.00 53.44 50.05 1jxs n ALA 82 Cb 0.72 -1.49 0.00 0.00 0.00 0.00 0.00 19.45 18.68 1jxs n ALA 82 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1jxs n SER 83 N -0.98 0.21 -0.11 0.00 7.64 -1.19 -4.63 113.62 114.56 1jxs n SER 83 Ca 0.58 0.29 0.09 0.00 1.01 0.00 0.00 58.87 60.84 1jxs n SER 83 Cb 0.98 0.12 0.17 0.00 -1.01 0.00 0.00 64.21 64.47 1jxs n SER 83 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1jxs n GLU 84 N -3.26 -0.02 0.02 1.43 0.00 -1.13 0.24 120.64 117.91 1jxs n GLU 84 Ca 0.00 0.48 -0.10 0.00 0.00 0.00 0.00 57.16 57.55 1jxs n GLU 84 Cb 0.00 -0.83 -0.07 0.00 0.00 0.00 0.00 31.44 30.54 1jxs n GLU 84 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 1jxs h SER 85 N 0.00 -0.12 -0.81 4.31 4.64 -1.87 -3.06 113.55 116.63 1jxs h SER 85 Ca 0.26 -0.41 0.19 0.00 -0.47 0.00 0.00 61.79 61.36 1jxs h SER 85 Cb 0.65 0.03 -0.14 0.00 -0.31 0.00 0.00 62.40 62.63 1jxs h SER 85 CO -0.28 0.50 0.03 0.50 -0.87 0.00 0.00 176.83 176.71 1jxs h LYS 86 N -0.91 0.10 -0.71 4.77 1.63 0.29 0.17 116.57 121.90 1jxs h LYS 86 Ca -0.01 -0.01 -0.06 0.00 -0.85 0.00 0.00 60.65 59.72 1jxs h LYS 86 Cb 0.53 -0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 32.11 1jxs h LYS 86 CO 0.02 0.07 0.22 1.37 -3.45 0.00 0.00 179.45 177.68 1jxs h LEU 87 N 0.10 1.02 -2.09 5.20 -0.00 -1.38 0.10 115.31 118.27 1jxs h LEU 87 Ca 0.46 -0.19 0.00 0.00 -0.00 0.00 0.00 57.88 58.15 1jxs h LEU 87 Cb 0.84 -0.27 0.00 0.00 -0.00 0.00 0.00 40.66 41.23 1jxs h LEU 87 CO -0.71 0.95 0.00 0.16 -0.00 0.00 0.00 178.44 178.84 1jxs h ILE 88 N 1.05 0.00 0.03 0.15 -2.65 -0.59 0.52 117.51 116.03 1jxs h ILE 88 Ca 0.23 -0.14 -0.22 0.00 1.03 0.00 0.00 64.86 65.77 1jxs h ILE 88 Cb 0.30 0.99 -0.02 0.00 -2.05 0.00 0.00 36.82 36.05 1jxs h ILE 88 CO -0.01 0.00 -0.99 -0.08 0.03 0.00 0.00 178.15 177.10 1jxs h GLU 89 N 0.00 0.12 -0.00 0.16 4.57 -0.26 -0.57 114.58 118.60 1jxs h GLU 89 Ca 0.00 -0.17 0.00 0.00 -1.18 0.00 0.00 59.36 58.01 1jxs h GLU 89 Cb 0.15 0.06 0.00 0.00 -0.16 0.00 0.00 28.75 28.80 1jxs h GLU 89 CO 0.00 1.01 -0.65 0.94 -1.18 0.00 0.00 179.01 179.13 1jxs n GLN 90 N -3.52 0.13 -0.02 1.92 -0.06 0.32 -3.98 117.38 112.18 1jxs n GLN 90 Ca -0.03 -0.09 0.09 0.00 -2.00 0.00 0.00 57.00 54.97 1jxs n GLN 90 Cb 0.90 -1.50 -0.17 0.00 -4.06 0.00 0.00 30.24 25.41 1jxs n GLN 90 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1jxs n ALA 91 N -1.36 2.68 -1.13 1.69 0.00 0.16 -4.33 120.51 118.22 1jxs n ALA 91 Ca 0.06 -0.58 -0.23 0.00 0.00 0.00 0.00 53.44 52.69 1jxs n ALA 91 Cb 0.34 -0.68 0.02 0.00 0.00 0.00 0.00 19.45 19.13 1jxs n ALA 91 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1jxs n PHE 92 N -2.29 1.89 -2.65 0.00 3.72 -0.23 -4.37 117.46 113.53 1jxs n PHE 92 Ca -0.07 -2.16 -0.15 0.00 -0.05 0.00 0.00 57.45 55.02 1jxs n PHE 92 Cb 0.61 -1.14 0.02 0.00 -0.94 0.00 0.00 39.48 38.03 1jxs n PHE 92 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1jxs n ARG 93 N 0.21 1.85 -1.69 -1.08 1.74 -1.26 -5.01 116.66 111.43 1jxs n ARG 93 Ca 0.40 -3.67 -0.37 0.00 -0.77 0.00 0.00 57.85 53.45 1jxs n ARG 93 Cb 0.57 -1.59 0.07 0.00 -1.02 0.00 0.00 32.46 30.49 1jxs n ARG 93 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47 1jxs n LYS 94 N -0.16 1.05 -3.72 5.56 2.85 -1.26 -4.99 118.16 117.48 1jxs n LYS 94 Ca 0.19 0.42 -0.30 0.00 -1.05 0.00 0.00 58.31 57.57 1jxs n LYS 94 Cb 0.75 -2.51 -0.13 0.00 -0.65 0.00 0.00 35.03 32.48 1jxs n LYS 94 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 177.40 176.37 1jxs s ARG 95 N -3.39 1.28 0.20 -1.58 3.03 -1.26 -5.11 118.95 112.11 1jxs s ARG 95 Ca 0.82 -1.97 0.09 0.00 2.03 0.00 0.00 55.73 56.70 1jxs s ARG 95 Cb -0.38 -2.35 -0.04 0.00 -1.03 0.00 0.00 34.95 31.15 1jxs s ARG 95 CO 0.41 -1.15 -0.08 1.03 -1.13 0.00 0.00 175.30 174.38 1jxs s ARG 96 N 0.41 2.10 -0.19 3.89 0.52 -1.26 -5.09 118.95 119.33 1jxs s ARG 96 Ca 0.17 -1.31 -0.29 0.00 -0.52 0.00 0.00 55.73 53.78 1jxs s ARG 96 Cb -0.24 -2.15 -0.00 0.00 0.52 0.00 0.00 34.95 33.07 1jxs s ARG 96 CO -0.01 0.42 1.10 -1.25 0.02 0.00 0.00 175.30 175.59 1jxs s PRO 97 N -3.00 4.28 0.00 3.54 0.04 -1.26 -5.33 135.00 133.28 1jxs s PRO 97 Ca 0.26 1.46 0.00 0.00 0.04 0.00 0.00 61.00 62.76 1jxs s PRO 97 Cb -0.08 -3.65 0.00 0.00 0.04 0.00 0.00 34.50 30.80 1jxs s PRO 97 CO 0.16 -0.60 0.00 2.89 0.04 0.00 0.00 177.00 179.49