#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 2.20 -4.63 -1.12 3.41 -1.26 -5.06 113.62 107.17 1jxs n SER 2 Ca 0.00 -1.53 -0.43 0.00 -0.26 0.00 0.00 58.87 56.65 1jxs n SER 2 Cb 0.00 0.07 -0.02 0.00 -0.26 0.00 0.00 64.21 64.00 1jxs n SER 2 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1jxs s LYS 3 N -2.46 3.80 0.92 4.33 2.47 -1.26 -4.99 119.74 122.55 1jxs s LYS 3 Ca 0.01 1.47 -0.13 0.00 -1.56 0.00 0.00 55.97 55.76 1jxs s LYS 3 Cb -0.00 -3.99 0.15 0.00 -1.46 0.00 0.00 37.83 32.53 1jxs s LYS 3 CO 0.01 -1.28 1.18 -1.25 0.16 0.00 0.00 175.35 174.17 1jxs s PRO 4 N 4.57 1.04 -0.21 4.03 0.04 -1.26 -4.99 135.00 138.21 1jxs s PRO 4 Ca 0.66 0.09 -0.29 0.00 0.04 0.00 0.00 61.00 61.50 1jxs s PRO 4 Cb -0.21 -1.85 -0.00 0.00 0.04 0.00 0.00 34.50 32.48 1jxs s PRO 4 CO 0.28 -2.23 1.15 -1.25 0.04 0.00 0.00 177.00 174.99 1jxs s PRO 5 N -5.47 4.22 0.00 0.56 0.04 -1.26 -5.04 135.00 128.05 1jxs s PRO 5 Ca 0.66 1.47 0.00 0.00 0.04 0.00 0.00 61.00 63.17 1jxs s PRO 5 Cb -0.11 -3.71 0.00 0.00 0.04 0.00 0.00 34.50 30.71 1jxs s PRO 5 CO 0.52 -0.70 0.00 0.98 0.04 0.00 0.00 177.00 177.84 1jxs n TYR 6 N 6.54 -0.36 -1.82 0.56 9.36 -1.26 -4.43 117.16 125.76 1jxs n TYR 6 Ca 0.13 0.00 -0.29 0.00 3.32 0.00 0.00 57.90 61.06 1jxs n TYR 6 Cb 0.46 0.00 0.15 0.00 -0.63 0.00 0.00 39.34 39.31 1jxs n TYR 6 CO 0.00 0.00 0.00 -1.12 0.22 0.00 0.00 176.86 175.96 1jxs s SER 7 N -1.00 3.56 -0.01 2.98 0.01 -1.26 -4.73 113.70 113.24 1jxs s SER 7 Ca 0.00 0.58 0.22 0.00 1.31 0.00 0.00 55.95 58.05 1jxs s SER 7 Cb 0.00 -0.87 -0.27 0.00 0.21 0.00 0.00 66.02 65.09 1jxs s SER 7 CO 0.00 -2.48 0.66 -1.22 0.41 0.00 0.00 173.24 170.60 1jxs n TYR 8 N -3.66 0.04 1.27 2.43 4.01 -1.26 -4.00 117.16 115.99 1jxs n TYR 8 Ca 0.11 0.01 0.13 0.00 -0.16 0.00 0.00 57.90 57.99 1jxs n TYR 8 Cb 0.60 -0.36 0.34 0.00 -0.31 0.00 0.00 39.34 39.61 1jxs n TYR 8 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1jxs n ALA 9 N -2.00 2.84 -0.10 -0.72 0.00 -1.26 -4.01 120.51 115.25 1jxs n ALA 9 Ca -0.01 -0.50 -0.11 0.00 0.00 0.00 0.00 53.44 52.82 1jxs n ALA 9 Cb 0.49 -1.05 -0.15 0.00 0.00 0.00 0.00 19.45 18.74 1jxs n ALA 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jxs n GLN 10 N 0.10 0.70 0.00 0.00 -0.00 -1.25 -3.88 117.38 113.05 1jxs n GLN 10 Ca 0.15 0.01 0.04 0.00 -0.00 0.00 0.00 57.00 57.20 1jxs n GLN 10 Cb 0.41 -1.52 0.16 0.00 -0.00 0.00 0.00 30.24 29.30 1jxs n GLN 10 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1jxs n LEU 11 N -2.82 0.00 -0.12 2.61 4.77 -1.26 -1.70 117.00 118.49 1jxs n LEU 11 Ca -0.35 0.49 -0.22 0.00 -0.03 0.00 0.00 56.01 55.91 1jxs n LEU 11 Cb 1.13 -0.49 -0.07 0.00 -2.33 0.00 0.00 43.42 41.66 1jxs n LEU 11 CO 0.40 -0.36 -1.15 -0.38 -1.33 0.00 0.00 177.39 174.57 1jxs n ILE 12 N -1.49 1.48 0.17 -0.08 5.41 -1.26 -4.33 119.36 119.27 1jxs n ILE 12 Ca 0.02 -0.19 -0.12 0.00 1.00 0.00 0.00 62.75 63.46 1jxs n ILE 12 Cb 0.09 -2.03 -0.07 0.00 -0.71 0.00 0.00 39.64 36.92 1jxs n ILE 12 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 1jxs h VAL 13 N -0.97 0.00 -0.77 1.39 2.07 -1.65 -1.25 116.25 115.07 1jxs h VAL 13 Ca -0.44 0.00 0.22 0.00 0.82 0.00 0.00 66.70 67.30 1jxs h VAL 13 Cb 1.38 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 31.11 1jxs h VAL 13 CO -0.27 0.00 1.17 -0.61 0.02 0.00 0.00 177.57 177.88 1jxs h GLN 14 N -0.64 0.00 0.13 1.57 -0.00 -1.59 0.72 115.11 115.30 1jxs h GLN 14 Ca -0.04 0.00 -0.19 0.00 -0.00 0.00 0.00 58.65 58.43 1jxs h GLN 14 Cb 0.57 0.00 0.02 0.00 0.00 0.00 0.00 27.48 28.07 1jxs h GLN 14 CO -0.07 0.00 -0.84 0.00 0.00 0.00 0.00 178.83 177.92 1jxs h ALA 15 N 0.40 -0.07 0.24 3.38 0.00 -1.43 -3.02 119.26 118.76 1jxs h ALA 15 Ca 0.37 -0.72 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 1jxs h ALA 15 Cb 2.69 0.13 0.00 0.00 0.00 0.00 0.00 17.79 20.62 1jxs h ALA 15 CO -0.00 0.40 -0.12 0.82 0.00 0.00 0.00 179.25 180.35 1jxs h ILE 16 N -0.39 0.00 -0.17 0.00 5.03 0.49 0.15 117.51 122.61 1jxs h ILE 16 Ca -0.15 -0.75 0.05 0.00 -0.12 0.00 0.00 64.86 63.88 1jxs h ILE 16 Cb 1.63 0.00 -0.01 0.00 -3.03 0.00 0.00 36.82 35.41 1jxs h ILE 16 CO 0.14 0.00 0.45 0.71 -0.68 0.00 0.00 178.15 178.77 1jxs h THR 17 N -1.08 0.12 0.00 -0.27 1.35 -1.29 0.27 112.91 112.02 1jxs h THR 17 Ca -0.03 0.00 -0.20 0.00 -0.55 0.00 0.00 66.41 65.63 1jxs h THR 17 Cb 0.25 0.59 -0.04 0.00 -1.73 0.00 0.00 68.15 67.22 1jxs h THR 17 CO 0.05 0.00 -2.06 0.80 -0.25 0.00 0.00 175.52 174.07 1jxs n MET 18 N -3.13 0.67 -2.52 4.72 0.00 -1.14 -4.91 117.12 110.80 1jxs n MET 18 Ca 0.02 -0.03 -0.40 0.00 -0.00 0.00 0.00 57.70 57.29 1jxs n MET 18 Cb 0.54 -1.58 -0.05 0.00 0.00 0.00 0.00 33.22 32.14 1jxs n MET 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1jxs s ALA 19 N -2.94 3.39 -1.21 -5.12 0.00 0.96 -4.93 121.76 111.92 1jxs s ALA 19 Ca -0.08 0.84 -0.20 0.00 0.00 0.00 0.00 51.96 52.52 1jxs s ALA 19 Cb 0.09 -3.31 0.04 0.00 0.00 0.00 0.00 23.12 19.94 1jxs s ALA 19 CO 0.85 -0.11 1.71 -1.25 0.00 0.00 0.00 175.76 176.96 1jxs s PRO 20 N -1.23 3.66 0.00 0.00 0.04 -1.26 -3.05 135.00 133.16 1jxs s PRO 20 Ca 0.45 -1.63 0.00 0.00 0.04 0.00 0.00 61.00 59.86 1jxs s PRO 20 Cb -0.31 -5.44 0.00 0.00 0.04 0.00 0.00 34.50 28.79 1jxs s PRO 20 CO 0.39 -2.51 0.00 -0.25 0.04 0.00 0.00 177.00 174.67 1jxs n ASP 21 N 9.48 0.00 -0.50 6.66 8.00 -1.26 -4.91 116.55 134.02 1jxs n ASP 21 Ca 0.44 0.00 -0.07 0.00 0.71 0.00 0.00 54.79 55.88 1jxs n ASP 21 Cb 0.47 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.54 1jxs n ASP 21 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1jxs n LYS 22 N 0.00 -0.60 -4.69 -1.24 4.81 -1.17 -4.99 118.16 110.27 1jxs n LYS 22 Ca 0.00 0.67 -0.23 0.00 -0.87 0.00 0.00 58.31 57.88 1jxs n LYS 22 Cb 0.00 -4.46 -0.15 0.00 0.02 0.00 0.00 35.03 30.43 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 -2.32 1.34 -0.21 1.64 -0.21 -1.26 -2.57 119.66 116.07 1jxs s GLN 23 Ca 0.00 -0.52 -0.19 0.00 0.02 0.00 0.00 55.36 54.66 1jxs s GLN 23 Cb 0.00 -1.24 0.05 0.00 1.00 0.00 0.00 33.01 32.82 1jxs s GLN 23 CO 0.00 0.27 0.56 -1.17 -2.12 0.00 0.00 175.29 172.83 1jxs s LEU 24 N -0.16 -0.13 0.92 2.90 1.98 -1.09 -4.89 118.68 118.21 1jxs s LEU 24 Ca 0.02 1.11 -0.14 0.00 -2.89 0.00 0.00 54.13 52.22 1jxs s LEU 24 Cb -0.08 1.91 0.16 0.00 0.66 0.00 0.00 46.19 48.84 1jxs s LEU 24 CO 0.00 -0.20 1.24 0.42 -1.89 0.00 0.00 176.35 175.93 1jxs s THR 25 N 0.26 1.98 0.20 3.68 -4.23 -1.26 -1.60 115.64 114.67 1jxs s THR 25 Ca -0.00 0.00 -0.11 0.00 -1.18 0.00 0.00 61.69 60.40 1jxs s THR 25 Cb -0.04 -2.95 0.13 0.00 1.34 0.00 0.00 72.50 70.98 1jxs s THR 25 CO 0.01 0.00 1.82 0.25 -0.54 0.00 0.00 174.62 176.16 1jxs h LEU 26 N -1.48 0.58 -1.62 4.79 6.46 -1.90 0.98 115.31 123.11 1jxs h LEU 26 Ca -0.46 0.02 0.35 0.00 -0.12 0.00 0.00 57.88 57.67 1jxs h LEU 26 Cb 1.28 -0.10 -0.08 0.00 -0.73 0.00 0.00 40.66 41.02 1jxs h LEU 26 CO 0.50 0.39 0.81 0.78 -0.62 0.00 0.00 178.44 180.30 1jxs h ASN 27 N 0.71 0.23 -0.34 1.25 4.21 -1.97 -2.57 115.58 117.10 1jxs h ASN 27 Ca 0.27 0.06 0.03 0.00 1.21 0.00 0.00 56.30 57.87 1jxs h ASN 27 Cb 0.10 0.03 -0.04 0.00 -1.12 0.00 0.00 38.32 37.29 1jxs h ASN 27 CO -0.14 -0.00 -0.20 0.61 -1.29 0.00 0.00 177.43 176.41 1jxs n GLY 28 N -1.61 -1.59 0.22 2.83 0.00 0.34 -0.02 105.19 105.37 1jxs n GLY 28 Ca 0.29 0.53 -0.07 0.00 0.00 0.00 0.00 46.02 46.78 1jxs n GLY 28 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1jxs h ILE 29 N 0.00 0.00 0.03 -0.61 5.03 -1.65 0.15 117.51 120.46 1jxs h ILE 29 Ca 0.05 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.80 1jxs h ILE 29 Cb 0.14 0.00 -0.01 0.00 -3.03 0.00 0.00 36.82 33.92 1jxs h ILE 29 CO -0.32 0.00 -0.12 1.88 -0.68 0.00 0.00 178.15 178.92 1jxs h TYR 30 N -0.18 -0.34 0.00 1.37 0.05 -0.62 -0.12 116.97 117.13 1jxs h TYR 30 Ca 0.04 0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.83 1jxs h TYR 30 Cb 0.29 0.15 0.00 0.00 1.01 0.00 0.00 36.73 38.17 1jxs h TYR 30 CO -0.70 -0.13 0.08 2.41 -1.05 0.00 0.00 178.16 178.76 1jxs n THR 31 N -3.12 1.03 0.00 -2.88 -1.04 0.10 -1.78 114.28 106.58 1jxs n THR 31 Ca -0.02 0.34 0.00 0.00 -2.04 0.00 0.00 64.05 62.33 1jxs n THR 31 Cb 0.09 -1.34 0.00 0.00 -1.82 0.00 0.00 70.33 67.27 1jxs n THR 31 CO 0.00 0.00 0.00 1.57 -0.64 0.00 0.00 175.07 176.00 1jxs n HIS 32 N -1.22 0.00 -0.42 -1.42 -0.00 0.50 -3.81 115.22 108.86 1jxs n HIS 32 Ca 0.00 0.00 0.34 0.00 -0.00 0.00 0.00 57.72 58.06 1jxs n HIS 32 Cb 0.08 0.00 0.62 0.00 -0.00 0.00 0.00 29.99 30.69 1jxs n HIS 32 CO 0.00 0.00 0.00 0.97 -0.00 0.00 0.00 176.34 177.31 1jxs h ILE 33 N 0.00 0.17 0.39 3.57 -0.00 -1.04 0.14 117.51 120.74 1jxs h ILE 33 Ca 0.00 -0.04 -0.02 0.00 -0.00 0.00 0.00 64.86 64.80 1jxs h ILE 33 Cb 0.00 0.03 0.00 0.00 -0.00 0.00 0.00 36.82 36.85 1jxs h ILE 33 CO 0.00 0.02 -0.19 0.71 -0.00 0.00 0.00 178.15 178.70 1jxs h THR 34 N 0.13 0.56 -0.00 2.19 1.35 -1.55 0.45 112.91 116.03 1jxs h THR 34 Ca 0.79 -0.50 0.00 0.00 -0.55 0.00 0.00 66.41 66.15 1jxs h THR 34 Cb 2.38 0.78 -0.00 0.00 -1.73 0.00 0.00 68.15 69.58 1jxs h THR 34 CO -0.43 0.08 0.22 0.11 -0.25 0.00 0.00 175.52 175.25 1jxs h LYS 35 N -0.83 0.00 0.00 4.72 1.57 -0.87 -3.33 116.57 117.82 1jxs h LYS 35 Ca -0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1jxs h LYS 35 Cb 0.54 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.85 1jxs h LYS 35 CO 0.09 0.00 0.00 0.09 -0.57 0.00 0.00 179.45 179.06 1jxs n ASN 36 N -2.97 0.00 -4.12 0.86 3.02 -0.69 -5.00 115.26 106.37 1jxs n ASN 36 Ca -0.02 0.00 -0.36 0.00 -0.03 0.00 0.00 54.58 54.17 1jxs n ASN 36 Cb 0.27 0.00 0.08 0.00 -0.61 0.00 0.00 39.78 39.52 1jxs n ASN 36 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1jxs n TYR 37 N -0.30 -2.41 0.00 3.10 4.01 0.11 -4.96 117.16 116.72 1jxs n TYR 37 Ca 0.00 0.30 0.00 0.00 -0.16 0.00 0.00 57.90 58.04 1jxs n TYR 37 Cb 0.00 -1.49 0.00 0.00 -0.31 0.00 0.00 39.34 37.54 1jxs n TYR 37 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 1jxs n PRO 38 N 0.90 0.00 -3.27 -0.72 -0.04 -1.26 -4.71 135.00 125.90 1jxs n PRO 38 Ca -0.00 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.24 1jxs n PRO 38 Cb 0.64 -0.32 0.00 0.00 -0.04 0.00 0.00 33.50 33.79 1jxs n PRO 38 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 1jxs s TYR 39 N -0.10 3.22 0.00 0.54 -0.85 -1.26 -4.86 117.35 114.04 1jxs s TYR 39 Ca 0.00 0.05 0.00 0.00 -0.52 0.00 0.00 57.07 56.60 1jxs s TYR 39 Cb 0.00 -2.11 0.00 0.00 0.38 0.00 0.00 41.96 40.23 1jxs s TYR 39 CO 0.00 -0.14 0.00 0.98 -1.52 0.00 0.00 175.55 174.87 1jxs n TYR 40 N -1.85 0.00 -1.65 -3.49 4.19 -1.26 -4.97 117.16 108.13 1jxs n TYR 40 Ca -0.00 0.00 -0.32 0.00 3.31 0.00 0.00 57.90 60.89 1jxs n TYR 40 Cb 0.58 0.00 -0.02 0.00 0.49 0.00 0.00 39.34 40.38 1jxs n TYR 40 CO 0.00 0.00 0.00 2.89 0.91 0.00 0.00 176.86 180.66 1jxs n ARG 41 N 0.00 2.58 0.00 2.98 -4.01 -1.26 -3.20 116.66 113.74 1jxs n ARG 41 Ca 0.00 -2.78 0.00 0.00 -1.04 0.00 0.00 57.85 54.03 1jxs n ARG 41 Cb 0.00 -2.20 0.00 0.00 -3.04 0.00 0.00 32.46 27.22 1jxs n ARG 41 CO 0.00 0.00 0.00 0.25 -3.04 0.00 0.00 177.63 174.84 1jxs n THR 42 N 0.40 0.00 0.00 8.89 -2.24 -1.26 -4.95 114.28 115.12 1jxs n THR 42 Ca 0.51 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.29 1jxs n THR 42 Cb 0.44 -0.08 0.00 0.00 -2.10 0.00 0.00 70.33 68.58 1jxs n THR 42 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1jxs n ALA 43 N -1.83 1.80 -3.55 6.98 0.00 -1.26 -4.91 120.51 117.74 1jxs n ALA 43 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.03 1jxs n ALA 43 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 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 -1.47 5.79 0.00 0.00 1.01 -1.19 -4.86 116.67 115.94 1jxs s ASP 44 Ca 0.00 -2.31 0.23 0.00 0.71 0.00 0.00 52.55 51.17 1jxs s ASP 44 Cb 0.00 -2.01 0.48 0.00 1.01 0.00 0.00 42.92 42.40 1jxs s ASP 44 CO 0.00 -0.59 1.43 1.17 0.21 0.00 0.00 175.17 177.39 1jxs n LYS 45 N 4.35 2.56 -0.07 8.23 0.00 -1.26 -4.40 118.16 127.56 1jxs n LYS 45 Ca 0.01 -2.38 -0.14 0.00 0.00 0.00 0.00 58.31 55.80 1jxs n LYS 45 Cb 0.41 -1.52 -0.11 0.00 0.00 0.00 0.00 35.03 33.81 1jxs n LYS 45 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.40 178.18 1jxs h GLY 46 N 4.37 0.00 2.00 3.14 0.00 -1.94 -3.28 103.07 107.36 1jxs h GLY 46 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1jxs h GLY 46 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 176.54 176.65 1jxs h TRP 47 N -1.00 0.00 0.00 5.60 5.08 -1.96 -3.13 115.95 120.54 1jxs h TRP 47 Ca -0.07 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.90 1jxs h TRP 47 Cb 0.95 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.11 1jxs h TRP 47 CO 0.20 0.00 0.00 1.04 -1.28 0.00 0.00 178.44 178.40 1jxs n GLN 48 N -2.33 0.00 0.00 0.12 1.13 -1.24 -2.13 117.38 112.93 1jxs n GLN 48 Ca 0.00 0.07 0.05 0.00 -1.94 0.00 0.00 57.00 55.18 1jxs n GLN 48 Cb 0.15 -0.63 0.24 0.00 0.11 0.00 0.00 30.24 30.11 1jxs n GLN 48 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1jxs n ASN 49 N -0.20 0.00 -0.02 1.08 4.13 -1.25 -1.98 115.26 117.02 1jxs n ASN 49 Ca 0.00 0.13 0.14 0.00 1.68 0.00 0.00 54.58 56.54 1jxs n ASN 49 Cb 0.00 -0.28 0.66 0.00 -1.54 0.00 0.00 39.78 38.63 1jxs n ASN 49 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1jxs n SER 50 N -1.28 0.10 0.04 6.41 7.64 -0.97 -3.55 113.62 122.02 1jxs n SER 50 Ca 0.05 -0.01 -0.17 0.00 1.01 0.00 0.00 58.87 59.74 1jxs n SER 50 Cb 0.07 -0.29 -0.14 0.00 -1.01 0.00 0.00 64.21 62.85 1jxs n SER 50 CO 0.00 0.00 0.00 -0.29 -3.01 0.00 0.00 175.04 171.74 1jxs h ILE 51 N 0.09 0.97 0.00 0.44 6.09 -0.86 -3.28 117.51 120.96 1jxs h ILE 51 Ca 0.00 -2.66 -0.00 0.00 -1.37 0.00 0.00 64.86 60.83 1jxs h ILE 51 Cb 0.38 2.65 -0.00 0.00 0.47 0.00 0.00 36.82 40.32 1jxs h ILE 51 CO 0.00 0.79 -0.01 -0.09 -3.07 0.00 0.00 178.15 175.77 1jxs h ARG 52 N 0.06 0.00 -0.12 2.19 2.43 -1.75 0.52 114.38 117.72 1jxs h ARG 52 Ca -0.30 0.00 0.04 0.00 -0.81 0.00 0.00 59.98 58.91 1jxs h ARG 52 Cb 2.03 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 31.57 1jxs h ARG 52 CO 0.14 0.01 0.09 1.25 -1.51 0.00 0.00 179.97 179.95 1jxs h HIS 53 N 0.00 0.00 0.00 2.20 2.76 -1.68 0.19 115.15 118.61 1jxs h HIS 53 Ca -0.00 0.00 -0.06 0.00 -2.20 0.00 0.00 60.37 58.11 1jxs h HIS 53 Cb 0.03 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 28.98 1jxs h HIS 53 CO 0.00 0.00 -0.72 -0.91 -1.30 0.00 0.00 177.93 175.00 1jxs h ASN 54 N 0.00 0.00 -0.36 3.26 4.21 -1.07 -3.29 115.58 118.34 1jxs h ASN 54 Ca 0.06 0.00 0.10 0.00 1.21 0.00 0.00 56.30 57.67 1jxs h ASN 54 Cb 0.24 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.42 1jxs h ASN 54 CO -0.00 0.22 0.73 -0.07 -1.29 0.00 0.00 177.43 177.01 1jxs h LEU 55 N 0.00 0.00 0.05 1.61 3.38 -0.34 0.20 115.31 120.21 1jxs h LEU 55 Ca -0.03 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.59 1jxs h LEU 55 Cb 1.20 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.91 1jxs h LEU 55 CO 0.02 0.00 -1.98 -0.24 0.09 0.00 0.00 178.44 176.33 1jxs n SER 56 N -3.10 2.01 -0.33 -0.43 2.88 -1.24 -4.11 113.62 109.30 1jxs n SER 56 Ca 0.07 0.21 0.27 0.00 -1.33 0.00 0.00 58.87 58.09 1jxs n SER 56 Cb 0.86 -0.80 0.51 0.00 -0.75 0.00 0.00 64.21 64.04 1jxs n SER 56 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 1jxs h LEU 57 N -0.35 0.45 -7.00 2.46 5.85 -0.75 -1.55 115.31 114.42 1jxs h LEU 57 Ca -0.47 0.21 -0.71 0.00 0.84 0.00 0.00 57.88 57.76 1jxs h LEU 57 Cb 1.77 0.18 -0.08 0.00 0.37 0.00 0.00 40.66 42.91 1jxs h LEU 57 CO -0.09 -0.24 2.45 0.59 -0.34 0.00 0.00 178.44 180.81 1jxs n ASN 58 N -5.12 4.58 0.00 1.25 3.02 -0.96 -4.74 115.26 113.29 1jxs n ASN 58 Ca 0.34 -2.92 0.03 0.00 -0.03 0.00 0.00 54.58 52.00 1jxs n ASN 58 Cb 1.09 -1.67 0.14 0.00 -0.61 0.00 0.00 39.78 38.73 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 6.75 0.08 -0.02 3.52 1.74 -0.59 -1.24 116.66 126.90 1jxs n ARG 59 Ca 0.48 0.24 0.07 0.00 -0.77 0.00 0.00 57.85 57.86 1jxs n ARG 59 Cb 0.42 -1.50 0.36 0.00 -1.02 0.00 0.00 32.46 30.72 1jxs n ARG 59 CO 0.00 0.00 0.00 2.48 -1.52 0.00 0.00 177.63 178.59 1jxs n TYR 60 N -1.29 0.05 -2.85 -1.55 0.18 -1.26 -4.80 117.16 105.64 1jxs n TYR 60 Ca 0.03 -0.02 -0.25 0.00 1.88 0.00 0.00 57.90 59.53 1jxs n TYR 60 Cb 0.04 0.00 0.01 0.00 -0.38 0.00 0.00 39.34 39.01 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 -1.95 3.41 -0.63 -3.48 0.08 -0.38 -3.28 117.98 111.74 1jxs s PHE 61 Ca 0.21 0.53 0.05 0.00 0.12 0.00 0.00 56.93 57.84 1jxs s PHE 61 Cb 0.10 -2.29 0.17 0.00 -0.57 0.00 0.00 43.02 40.43 1jxs s PHE 61 CO 0.16 -0.31 0.47 0.44 -0.10 0.00 0.00 175.22 175.88 1jxs n ILE 62 N -2.17 0.97 -2.65 0.64 -5.35 -0.58 -4.82 119.36 105.39 1jxs n ILE 62 Ca 0.00 -4.53 -0.43 0.00 -0.27 0.00 0.00 62.75 57.53 1jxs n ILE 62 Cb 0.56 -2.06 -0.02 0.00 -1.74 0.00 0.00 39.64 36.38 1jxs n ILE 62 CO 0.00 0.00 0.00 -1.59 -1.76 0.00 0.00 176.55 173.20 1jxs s LYS 63 N -1.14 4.38 0.18 6.28 0.00 -1.26 -3.24 119.74 124.93 1jxs s LYS 63 Ca 0.27 1.42 -0.06 0.00 0.00 0.00 0.00 55.97 57.60 1jxs s LYS 63 Cb -0.01 -3.57 -0.06 0.00 0.00 0.00 0.00 37.83 34.19 1jxs s LYS 63 CO -0.17 -0.39 0.44 0.14 0.00 0.00 0.00 175.35 175.36 1jxs s VAL 64 N 2.27 5.08 -0.03 1.79 -7.23 -1.15 -4.98 120.40 116.15 1jxs s VAL 64 Ca 0.48 0.18 -0.22 0.00 -1.81 0.00 0.00 61.98 60.62 1jxs s VAL 64 Cb -0.18 -3.62 -0.28 0.00 0.56 0.00 0.00 36.38 32.85 1jxs s VAL 64 CO 0.16 -0.01 0.97 1.55 -0.31 0.00 0.00 175.10 177.46 1jxs h PRO 65 N 2.70 0.31 0.00 4.82 0.13 -1.94 -3.35 132.00 134.67 1jxs h PRO 65 Ca -0.46 -0.43 0.00 0.00 -0.87 0.00 0.00 66.00 64.23 1jxs h PRO 65 Cb 1.17 0.15 0.00 0.00 0.13 0.00 0.00 31.00 32.44 1jxs h PRO 65 CO 0.71 1.16 0.00 0.54 -0.23 0.00 0.00 178.00 180.18 1jxs n ARG 66 N -4.21 3.04 -2.67 0.86 3.00 -1.23 -4.51 116.66 110.94 1jxs n ARG 66 Ca -0.12 0.00 -0.04 0.00 -0.01 0.00 0.00 57.85 57.68 1jxs n ARG 66 Cb 0.73 0.00 0.10 0.00 0.00 0.00 0.00 32.46 33.29 1jxs n ARG 66 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 1jxs n SER 67 N -0.11 -1.34 -2.69 0.55 7.64 -1.25 -4.39 113.62 112.03 1jxs n SER 67 Ca 0.00 -1.99 -0.12 0.00 1.01 0.00 0.00 58.87 57.77 1jxs n SER 67 Cb 0.00 1.13 0.06 0.00 -1.01 0.00 0.00 64.21 64.39 1jxs n SER 67 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1jxs n GLN 68 N 0.69 -4.69 -4.25 1.43 6.02 -1.26 -3.02 117.38 112.30 1jxs n GLN 68 Ca -0.03 0.59 -0.33 0.00 -0.01 0.00 0.00 57.00 57.22 1jxs n GLN 68 Cb 0.74 -4.84 -0.08 0.00 1.02 0.00 0.00 30.24 27.08 1jxs n GLN 68 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 1jxs n GLU 69 N -3.21 -1.03 -1.48 -1.09 2.13 -1.26 -4.88 120.64 109.82 1jxs n GLU 69 Ca -0.18 0.11 -0.30 0.00 0.66 0.00 0.00 57.16 57.45 1jxs n GLU 69 Cb 0.61 -3.51 0.08 0.00 0.27 0.00 0.00 31.44 28.90 1jxs n GLU 69 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 1jxs s GLU 70 N -7.32 2.28 -0.01 5.31 2.02 -1.17 -4.91 118.70 114.90 1jxs s GLU 70 Ca 0.07 0.83 0.01 0.00 0.02 0.00 0.00 54.97 55.90 1jxs s GLU 70 Cb -0.04 -1.92 0.03 0.00 0.10 0.00 0.00 34.13 32.30 1jxs s GLU 70 CO 0.99 -1.53 0.57 -0.35 0.02 0.00 0.00 175.26 174.95 1jxs n PRO 71 N -3.40 1.16 -1.24 0.39 -0.04 -1.26 -4.84 135.00 125.77 1jxs n PRO 71 Ca 0.07 -0.13 0.00 0.00 -0.04 0.00 0.00 63.50 63.40 1jxs n PRO 71 Cb 0.55 -1.52 0.00 0.00 -0.04 0.00 0.00 33.50 32.49 1jxs n PRO 71 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1jxs n GLY 72 N 0.04 4.17 0.33 0.55 0.00 -1.26 -5.00 105.19 104.02 1jxs n GLY 72 Ca 0.01 -1.50 0.16 0.00 0.00 0.00 0.00 46.02 44.69 1jxs n GLY 72 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1jxs h LYS 73 N 0.00 0.00 -4.87 1.61 1.57 -1.95 -3.46 116.57 109.46 1jxs h LYS 73 Ca 0.00 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.59 1jxs h LYS 73 Cb 0.00 0.00 0.15 0.00 0.08 0.00 0.00 32.23 32.46 1jxs h LYS 73 CO 0.00 0.00 -0.66 0.41 -0.57 0.00 0.00 179.45 178.63 1jxs n GLY 74 N -1.56 -0.66 3.36 3.86 0.00 -1.26 -4.63 105.19 104.30 1jxs n GLY 74 Ca 0.04 0.37 -0.32 0.00 0.00 0.00 0.00 46.02 46.10 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 -3.34 3.54 -0.15 1.61 0.15 -1.26 -3.58 113.70 110.67 1jxs s SER 75 Ca 0.33 -0.37 -0.07 0.00 0.70 0.00 0.00 55.95 56.54 1jxs s SER 75 Cb -0.04 -0.90 0.06 0.00 -1.71 0.00 0.00 66.02 63.43 1jxs s SER 75 CO 0.57 0.28 0.34 0.12 1.20 0.00 0.00 173.24 175.75 1jxs s PHE 76 N -0.33 -0.54 -0.55 3.44 2.19 -1.26 -4.64 117.98 116.30 1jxs s PHE 76 Ca 0.02 1.15 -0.18 0.00 0.33 0.00 0.00 56.93 58.24 1jxs s PHE 76 Cb -0.13 0.16 0.09 0.00 -1.31 0.00 0.00 43.02 41.84 1jxs s PHE 76 CO 0.02 -0.34 0.63 -1.58 1.83 0.00 0.00 175.22 175.78 1jxs s TRP 77 N 1.77 3.07 0.04 10.12 0.52 -0.63 -2.94 118.94 130.90 1jxs s TRP 77 Ca -0.06 -0.87 0.00 0.00 0.02 0.00 0.00 56.10 55.20 1jxs s TRP 77 Cb -0.10 -3.76 0.00 0.00 -1.15 0.00 0.00 33.47 28.46 1jxs s TRP 77 CO -0.11 -1.13 0.04 2.89 0.02 0.00 0.00 176.95 178.66 1jxs n ARG 78 N 6.05 1.23 -4.39 4.98 1.85 -1.20 -2.67 116.66 122.51 1jxs n ARG 78 Ca -0.09 -0.23 -0.20 0.00 -1.00 0.00 0.00 57.85 56.32 1jxs n ARG 78 Cb 0.43 0.01 -0.14 0.00 -1.05 0.00 0.00 32.46 31.71 1jxs n ARG 78 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 1jxs s ILE 79 N 0.23 1.10 1.01 8.89 -1.09 -1.06 -1.52 121.20 128.75 1jxs s ILE 79 Ca 0.03 -0.94 -0.16 0.00 -2.23 0.00 0.00 60.65 57.35 1jxs s ILE 79 Cb -0.00 -0.99 0.21 0.00 -1.58 0.00 0.00 42.46 40.10 1jxs s ILE 79 CO 0.02 0.05 1.24 -1.81 -1.23 0.00 0.00 174.94 173.21 1jxs s ASP 80 N -1.02 2.68 0.06 3.58 1.01 -1.21 -4.84 116.67 116.94 1jxs s ASP 80 Ca 0.02 0.45 -0.16 0.00 0.71 0.00 0.00 52.55 53.58 1jxs s ASP 80 Cb -0.07 -0.62 -0.19 0.00 1.01 0.00 0.00 42.92 43.04 1jxs s ASP 80 CO 0.01 -3.02 1.22 1.55 0.21 0.00 0.00 175.17 175.14 1jxs h PRO 81 N -1.83 0.64 -1.00 8.23 0.13 -2.01 -3.15 132.00 133.00 1jxs h PRO 81 Ca -0.45 -0.58 -0.61 0.00 -0.87 0.00 0.00 66.00 63.49 1jxs h PRO 81 Cb 1.26 0.14 -0.30 0.00 0.13 0.00 0.00 31.00 32.23 1jxs h PRO 81 CO 0.41 1.19 0.78 0.00 -0.23 0.00 0.00 178.00 180.15 1jxs n ALA 82 N -2.60 6.01 0.03 -0.56 0.00 -1.26 -4.41 120.51 117.73 1jxs n ALA 82 Ca -0.09 -3.21 0.00 0.00 0.00 0.00 0.00 53.44 50.14 1jxs n ALA 82 Cb 0.72 -1.63 0.00 0.00 0.00 0.00 0.00 19.45 18.54 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 -1.01 0.29 0.00 0.00 7.64 -1.21 -4.76 113.62 114.56 1jxs n SER 83 Ca 0.61 0.11 0.00 0.00 1.01 0.00 0.00 58.87 60.60 1jxs n SER 83 Cb 1.11 -0.04 0.00 0.00 -1.01 0.00 0.00 64.21 64.27 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 -3.11 0.00 -0.48 1.43 2.13 -1.19 0.52 120.64 119.93 1jxs n GLU 84 Ca 0.00 0.73 0.38 0.00 0.66 0.00 0.00 57.16 58.93 1jxs n GLU 84 Cb 0.20 -1.27 0.58 0.00 0.27 0.00 0.00 31.44 31.23 1jxs n GLU 84 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 1jxs n SER 85 N -2.01 0.00 -0.07 4.31 7.64 -1.26 0.04 113.62 122.25 1jxs n SER 85 Ca 0.00 0.73 -0.14 0.00 1.01 0.00 0.00 58.87 60.47 1jxs n SER 85 Cb 0.00 -0.35 -0.12 0.00 -1.01 0.00 0.00 64.21 62.73 1jxs n SER 85 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 1jxs h LYS 86 N 0.00 0.00 0.00 1.43 1.63 -0.23 -3.34 116.57 116.06 1jxs h LYS 86 Ca 0.67 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 60.44 1jxs h LYS 86 Cb 2.81 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 34.44 1jxs h LYS 86 CO -0.01 0.90 -0.10 1.37 -3.45 0.00 0.00 179.45 178.16 1jxs h LEU 87 N -1.00 0.00 -2.35 5.20 -0.00 0.87 -1.16 115.31 116.87 1jxs h LEU 87 Ca -0.06 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.81 1jxs h LEU 87 Cb 0.96 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.62 1jxs h LEU 87 CO -0.04 0.10 -0.04 0.16 -0.00 0.00 0.00 178.44 178.63 1jxs h ILE 88 N 0.00 0.34 -0.15 0.15 -2.65 -1.37 0.21 117.51 114.03 1jxs h ILE 88 Ca -0.00 -0.22 -0.14 0.00 1.03 0.00 0.00 64.86 65.53 1jxs h ILE 88 Cb 0.37 1.16 -0.01 0.00 -2.05 0.00 0.00 36.82 36.29 1jxs h ILE 88 CO 0.01 0.04 -0.51 -0.08 0.03 0.00 0.00 178.15 177.65 1jxs h GLU 89 N 0.00 0.42 -0.00 0.16 4.81 -1.35 -0.64 114.58 117.98 1jxs h GLU 89 Ca -0.00 -0.25 0.00 0.00 -0.13 0.00 0.00 59.36 58.98 1jxs h GLU 89 Cb 0.16 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.56 1jxs h GLU 89 CO 0.01 0.83 -0.36 0.94 -0.73 0.00 0.00 179.01 179.69 1jxs n GLN 90 N -3.96 0.11 -0.02 1.92 -0.06 0.46 -3.73 117.38 112.10 1jxs n GLN 90 Ca -0.02 -0.05 -0.02 0.00 -2.00 0.00 0.00 57.00 54.91 1jxs n GLN 90 Cb 0.57 -1.50 -0.01 0.00 -4.06 0.00 0.00 30.24 25.24 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 -1.40 0.16 -0.98 1.69 0.00 0.39 -3.75 120.51 116.62 1jxs n ALA 91 Ca 0.07 -0.25 -0.13 0.00 0.00 0.00 0.00 53.44 53.12 1jxs n ALA 91 Cb 0.33 0.01 -0.07 0.00 0.00 0.00 0.00 19.45 19.72 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 -2.96 0.60 -2.65 0.00 3.72 -0.29 -4.13 117.46 111.75 1jxs n PHE 92 Ca -0.02 -1.56 -0.03 0.00 -0.05 0.00 0.00 57.45 55.79 1jxs n PHE 92 Cb 0.09 -1.20 0.11 0.00 -0.94 0.00 0.00 39.48 37.54 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 1.57 0.03 -3.71 -1.08 1.74 -1.24 -4.95 116.66 109.02 1jxs n ARG 93 Ca 0.33 -0.55 -0.13 0.00 -0.77 0.00 0.00 57.85 56.73 1jxs n ARG 93 Cb 0.69 -0.04 -0.10 0.00 -1.02 0.00 0.00 32.46 31.99 1jxs n ARG 93 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1jxs s LYS 94 N 0.01 0.54 -0.27 5.56 -0.14 -1.26 -4.67 119.74 119.52 1jxs s LYS 94 Ca 0.22 0.70 -0.06 0.00 -1.36 0.00 0.00 55.97 55.47 1jxs s LYS 94 Cb 0.27 0.22 0.14 0.00 -1.68 0.00 0.00 37.83 36.78 1jxs s LYS 94 CO -0.17 -0.08 0.54 0.50 -0.76 0.00 0.00 175.35 175.38 1jxs s ARG 95 N 0.47 0.49 -0.30 1.68 3.00 -1.26 -4.57 118.95 118.46 1jxs s ARG 95 Ca -0.02 1.10 -0.03 0.00 -1.00 0.00 0.00 55.73 55.78 1jxs s ARG 95 Cb -0.04 0.46 0.19 0.00 0.00 0.00 0.00 34.95 35.56 1jxs s ARG 95 CO -0.02 -0.40 0.69 0.50 0.00 0.00 0.00 175.30 176.07 1jxs s ARG 96 N 2.77 0.49 0.99 5.12 3.52 -1.26 -4.99 118.95 125.59 1jxs s ARG 96 Ca 0.06 0.86 -0.16 0.00 -0.13 0.00 0.00 55.73 56.36 1jxs s ARG 96 Cb -0.13 0.48 0.20 0.00 -1.56 0.00 0.00 34.95 33.94 1jxs s ARG 96 CO -0.18 -0.54 1.26 -1.25 -0.81 0.00 0.00 175.30 173.78 1jxs s PRO 97 N 2.88 0.42 0.00 5.12 0.04 -1.26 -4.60 135.00 137.59 1jxs s PRO 97 Ca 0.16 -0.26 0.15 0.00 0.04 0.00 0.00 61.00 61.09 1jxs s PRO 97 Cb -0.14 -1.81 0.12 0.00 0.04 0.00 0.00 34.50 32.72 1jxs s PRO 97 CO -0.19 -2.59 0.99 2.89 0.04 0.00 0.00 177.00 178.14