#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 6.04 -0.03 1.67 3.41 -1.26 -4.69 113.62 118.76 1jxs n SER 2 Ca 0.00 -3.77 -0.22 0.00 -0.26 0.00 0.00 58.87 54.63 1jxs n SER 2 Cb 0.00 -0.64 -0.13 0.00 -0.26 0.00 0.00 64.21 63.18 1jxs n SER 2 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1jxs h LYS 3 N 2.29 0.17 -6.59 4.33 3.64 -1.96 0.11 116.57 118.56 1jxs h LYS 3 Ca 0.45 -0.29 -0.56 0.00 -1.27 0.00 0.00 60.65 58.98 1jxs h LYS 3 Cb 1.04 0.11 -0.06 0.00 -0.41 0.00 0.00 32.23 32.90 1jxs h LYS 3 CO 1.11 1.14 0.94 -1.25 -2.27 0.00 0.00 179.45 179.12 1jxs s PRO 4 N -2.47 3.77 0.00 1.90 0.04 -1.26 -3.87 135.00 133.11 1jxs s PRO 4 Ca -0.24 0.76 0.00 0.00 0.04 0.00 0.00 61.00 61.57 1jxs s PRO 4 Cb 0.06 -3.90 0.00 0.00 0.04 0.00 0.00 34.50 30.70 1jxs s PRO 4 CO 0.71 -1.31 0.00 -0.35 0.04 0.00 0.00 177.00 176.08 1jxs n PRO 5 N 7.68 1.91 -0.37 0.56 -0.04 -1.26 -4.68 135.00 138.81 1jxs n PRO 5 Ca 0.13 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.59 1jxs n PRO 5 Cb 0.48 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.94 1jxs n PRO 5 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1jxs n TYR 6 N -0.01 -0.24 -1.87 0.54 4.02 -1.26 -5.03 117.16 113.31 1jxs n TYR 6 Ca 0.00 0.00 -0.30 0.00 -0.01 0.00 0.00 57.90 57.59 1jxs n TYR 6 Cb 0.00 0.00 0.18 0.00 -0.02 0.00 0.00 39.34 39.50 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 0.00 3.17 0.20 7.72 0.01 -1.26 -4.83 113.70 118.71 1jxs s SER 7 Ca 0.00 0.37 0.09 0.00 1.31 0.00 0.00 55.95 57.72 1jxs s SER 7 Cb 0.00 -0.49 0.06 0.00 0.21 0.00 0.00 66.02 65.80 1jxs s SER 7 CO 0.00 -2.71 1.44 1.88 0.41 0.00 0.00 173.24 174.26 1jxs h TYR 8 N -1.62 0.00 -0.00 2.43 0.05 -1.99 -2.51 116.97 113.32 1jxs h TYR 8 Ca -0.45 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.33 1jxs h TYR 8 Cb 1.25 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.99 1jxs h TYR 8 CO -1.00 0.80 -0.08 0.00 -1.05 0.00 0.00 178.16 176.83 1jxs n ALA 9 N -2.37 2.71 -0.14 3.88 0.00 -1.26 -3.98 120.51 119.35 1jxs n ALA 9 Ca -0.00 -0.25 -0.29 0.00 0.00 0.00 0.00 53.44 52.90 1jxs n ALA 9 Cb 0.79 -1.37 -0.10 0.00 0.00 0.00 0.00 19.45 18.77 1jxs n ALA 9 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1jxs n GLN 10 N -0.96 0.58 0.23 0.00 1.13 -1.13 -4.11 117.38 113.12 1jxs n GLN 10 Ca 0.15 0.25 0.09 0.00 -1.94 0.00 0.00 57.00 55.55 1jxs n GLN 10 Cb 0.26 -1.47 0.46 0.00 0.11 0.00 0.00 30.24 29.60 1jxs n GLN 10 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 1jxs h LEU 11 N -0.96 0.00 0.00 1.08 3.38 -1.58 0.17 115.31 117.40 1jxs h LEU 11 Ca -0.69 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.13 1jxs h LEU 11 Cb 1.61 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.34 1jxs h LEU 11 CO -0.41 0.00 -0.83 0.40 0.09 0.00 0.00 178.44 177.68 1jxs h ILE 12 N 0.00 1.13 0.00 1.22 2.04 -1.76 -3.33 117.51 116.82 1jxs h ILE 12 Ca 0.00 -2.17 0.00 0.00 1.00 0.00 0.00 64.86 63.69 1jxs h ILE 12 Cb 0.76 2.46 0.00 0.00 -0.74 0.00 0.00 36.82 39.29 1jxs h ILE 12 CO 0.00 0.38 0.00 0.52 0.00 0.00 0.00 178.15 179.05 1jxs n VAL 13 N -4.50 0.00 -0.45 1.67 0.31 0.03 -0.32 118.33 115.07 1jxs n VAL 13 Ca -0.24 1.46 0.41 0.00 -0.01 0.00 0.00 64.34 65.96 1jxs n VAL 13 Cb 0.59 -2.15 0.68 0.00 -0.91 0.00 0.00 33.84 32.06 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 -0.02 5.55 3.07 -1.72 0.63 115.11 122.61 1jxs h GLN 14 Ca 0.00 0.00 -0.13 0.00 0.09 0.00 0.00 58.65 58.61 1jxs h GLN 14 Cb 0.00 0.00 0.01 0.00 0.08 0.00 0.00 27.48 27.57 1jxs h GLN 14 CO 0.00 0.00 -0.50 0.00 0.09 0.00 0.00 178.83 178.42 1jxs h ALA 15 N 0.92 0.09 0.68 0.06 0.00 -0.77 -0.99 119.26 119.26 1jxs h ALA 15 Ca 0.70 -0.53 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 1jxs h ALA 15 Cb 3.16 0.02 0.01 0.00 0.00 0.00 0.00 17.79 20.98 1jxs h ALA 15 CO -0.01 0.29 -0.33 0.82 0.00 0.00 0.00 179.25 180.03 1jxs h ILE 16 N -0.14 0.00 -0.37 0.00 1.08 0.15 0.17 117.51 118.40 1jxs h ILE 16 Ca -0.06 -0.27 0.07 0.00 -0.39 0.00 0.00 64.86 64.22 1jxs h ILE 16 Cb 1.20 0.00 -0.07 0.00 -3.07 0.00 0.00 36.82 34.88 1jxs h ILE 16 CO 0.10 0.00 -0.09 0.71 -0.69 0.00 0.00 178.15 178.18 1jxs h THR 17 N -1.18 0.64 0.00 -0.27 1.35 -1.46 0.25 112.91 112.23 1jxs h THR 17 Ca -0.09 -0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.76 1jxs h THR 17 Cb 0.70 0.63 -0.00 0.00 -1.73 0.00 0.00 68.15 67.75 1jxs h THR 17 CO 0.15 0.00 -0.05 -0.03 -0.25 0.00 0.00 175.52 175.35 1jxs h MET 18 N 0.00 0.00 -6.72 4.72 1.85 -1.17 -3.43 114.93 110.18 1jxs h MET 18 Ca 0.18 0.00 -0.57 0.00 -0.61 0.00 0.00 59.70 58.69 1jxs h MET 18 Cb 0.27 0.00 0.12 0.00 0.43 0.00 0.00 31.60 32.42 1jxs h MET 18 CO -0.38 0.05 0.37 0.00 -0.40 0.00 0.00 176.91 176.55 1jxs n ALA 19 N -2.44 0.83 1.69 0.39 0.00 0.86 -4.83 120.51 117.01 1jxs n ALA 19 Ca -0.03 0.29 0.12 0.00 0.00 0.00 0.00 53.44 53.82 1jxs n ALA 19 Cb 0.13 -2.19 0.71 0.00 0.00 0.00 0.00 19.45 18.11 1jxs n ALA 19 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1jxs n PRO 20 N 0.27 0.84 0.00 0.00 -0.04 -1.26 -3.12 135.00 131.69 1jxs n PRO 20 Ca 0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 1jxs n PRO 20 Cb 0.38 -1.44 0.00 0.00 -0.04 0.00 0.00 33.50 32.39 1jxs n PRO 20 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1jxs n ASP 21 N -0.94 0.43 0.00 3.54 -0.08 -1.26 -4.97 116.55 113.27 1jxs n ASP 21 Ca 0.18 -1.10 0.00 0.00 -1.51 0.00 0.00 54.79 52.36 1jxs n ASP 21 Cb 0.08 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.54 1jxs n ASP 21 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 1jxs n LYS 22 N -0.05 0.00 -4.11 -0.67 4.81 -1.18 -4.96 118.16 112.00 1jxs n LYS 22 Ca 0.00 0.00 -0.14 0.00 -0.87 0.00 0.00 58.31 57.30 1jxs n LYS 22 Cb 0.24 -2.88 -0.12 0.00 0.02 0.00 0.00 35.03 32.29 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 -0.22 0.53 0.27 1.64 -0.21 -1.26 -3.35 119.66 117.06 1jxs s GLN 23 Ca 0.00 -0.59 -0.17 0.00 0.02 0.00 0.00 55.36 54.62 1jxs s GLN 23 Cb 0.00 -0.38 0.01 0.00 1.00 0.00 0.00 33.01 33.64 1jxs s GLN 23 CO 0.00 0.08 0.62 -0.48 -2.12 0.00 0.00 175.29 173.39 1jxs s LEU 24 N -1.11 0.02 0.49 2.90 -0.00 -1.17 -4.82 118.68 114.99 1jxs s LEU 24 Ca -0.05 -0.79 -0.06 0.00 -0.00 0.00 0.00 54.13 53.23 1jxs s LEU 24 Cb -0.07 2.30 -0.04 0.00 -0.00 0.00 0.00 46.19 48.38 1jxs s LEU 24 CO 0.00 -1.27 0.81 -0.89 -0.00 0.00 0.00 176.35 175.00 1jxs s THR 25 N -3.87 4.88 0.42 5.48 2.01 -1.26 -0.90 115.64 122.39 1jxs s THR 25 Ca 0.16 0.30 0.22 0.00 0.31 0.00 0.00 61.69 62.68 1jxs s THR 25 Cb -0.04 -3.86 0.42 0.00 0.01 0.00 0.00 72.50 69.04 1jxs s THR 25 CO 0.08 -0.86 1.77 0.25 -0.69 0.00 0.00 174.62 175.17 1jxs h LEU 26 N 0.23 0.37 -0.65 4.42 6.46 -1.90 0.35 115.31 124.58 1jxs h LEU 26 Ca -0.47 0.08 0.12 0.00 -0.12 0.00 0.00 57.88 57.48 1jxs h LEU 26 Cb 1.20 0.02 -0.08 0.00 -0.73 0.00 0.00 40.66 41.07 1jxs h LEU 26 CO 0.62 0.05 0.22 0.78 -0.62 0.00 0.00 178.44 179.49 1jxs h ASN 27 N 0.31 0.17 -0.46 1.25 2.35 -1.91 -2.91 115.58 114.38 1jxs h ASN 27 Ca 0.61 0.10 0.04 0.00 -0.55 0.00 0.00 56.30 56.50 1jxs h ASN 27 Cb 1.69 0.10 -0.06 0.00 0.05 0.00 0.00 38.32 40.10 1jxs h ASN 27 CO -0.26 0.08 -0.27 0.61 -1.65 0.00 0.00 177.43 175.94 1jxs n GLY 28 N -1.31 -1.19 0.17 2.83 0.00 0.12 0.16 105.19 105.97 1jxs n GLY 28 Ca 0.11 0.55 -0.07 0.00 0.00 0.00 0.00 46.02 46.60 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 0.62 0.35 -0.61 1.08 -1.69 0.28 117.51 117.54 1jxs h ILE 29 Ca 0.07 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.54 1jxs h ILE 29 Cb 0.19 0.62 -0.02 0.00 -3.07 0.00 0.00 36.82 34.54 1jxs h ILE 29 CO -0.43 0.00 -0.32 1.88 -0.69 0.00 0.00 178.15 178.59 1jxs h TYR 30 N -0.06 -0.85 0.00 1.37 0.05 0.14 -0.41 116.97 117.21 1jxs h TYR 30 Ca 0.15 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.93 1jxs h TYR 30 Cb 0.28 0.33 0.00 0.00 1.01 0.00 0.00 36.73 38.35 1jxs h TYR 30 CO -0.31 -0.46 0.00 2.41 -1.05 0.00 0.00 178.16 178.75 1jxs n THR 31 N -5.44 0.00 -0.01 -2.88 -1.04 -0.38 -3.56 114.28 100.97 1jxs n THR 31 Ca -0.10 0.00 -0.01 0.00 -2.04 0.00 0.00 64.05 61.90 1jxs n THR 31 Cb 0.34 -0.47 -0.00 0.00 -1.82 0.00 0.00 70.33 68.37 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 -0.84 0.00 -0.47 -1.42 -0.00 0.94 -4.35 115.22 109.09 1jxs n HIS 32 Ca 0.12 0.00 0.39 0.00 -0.00 0.00 0.00 57.72 58.23 1jxs n HIS 32 Cb 0.05 -0.08 0.65 0.00 -0.00 0.00 0.00 29.99 30.61 1jxs n HIS 32 CO 0.00 0.00 0.00 1.51 -0.00 0.00 0.00 176.34 177.85 1jxs n ILE 33 N -2.84 -0.20 0.24 3.57 0.00 -0.29 0.42 119.36 120.26 1jxs n ILE 33 Ca -0.02 1.64 -0.16 0.00 0.00 0.00 0.00 62.75 64.21 1jxs n ILE 33 Cb 0.09 -2.69 -0.08 0.00 0.00 0.00 0.00 39.64 36.96 1jxs n ILE 33 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 176.55 177.26 1jxs h THR 34 N 0.00 0.37 0.00 9.51 1.35 -1.68 -0.30 112.91 122.16 1jxs h THR 34 Ca 0.82 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.68 1jxs h THR 34 Cb 2.75 0.37 0.00 0.00 -1.73 0.00 0.00 68.15 69.53 1jxs h THR 34 CO -0.38 0.00 0.00 0.29 -0.25 0.00 0.00 175.52 175.18 1jxs n LYS 35 N -5.43 0.94 0.00 4.72 4.76 0.17 -4.20 118.16 119.12 1jxs n LYS 35 Ca -0.10 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.34 1jxs n LYS 35 Cb 0.33 -1.27 0.00 0.00 -1.84 0.00 0.00 35.03 32.25 1jxs n LYS 35 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1jxs n ASN 36 N -0.77 0.00 0.00 4.39 5.03 -0.26 -5.06 115.26 118.59 1jxs n ASN 36 Ca 0.12 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.57 1jxs n ASN 36 Cb 0.06 -0.30 0.00 0.00 -1.02 0.00 0.00 39.78 38.52 1jxs n ASN 36 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 1jxs n TYR 37 N -2.10 0.00 -1.74 3.10 4.01 -0.39 -5.01 117.16 115.04 1jxs n TYR 37 Ca 0.00 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.44 1jxs n TYR 37 Cb 0.00 0.00 0.09 0.00 -0.31 0.00 0.00 39.34 39.12 1jxs n TYR 37 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 1jxs s PRO 38 N 0.15 2.11 0.05 -0.72 0.04 0.38 -4.35 135.00 132.67 1jxs s PRO 38 Ca 0.00 0.39 -0.17 0.00 0.04 0.00 0.00 61.00 61.26 1jxs s PRO 38 Cb 0.00 -1.94 -0.16 0.00 0.04 0.00 0.00 34.50 32.43 1jxs s PRO 38 CO 0.00 -1.54 1.26 1.88 0.04 0.00 0.00 177.00 178.64 1jxs h TYR 39 N -1.03 0.73 -4.63 0.56 0.05 -1.77 -3.34 116.97 107.54 1jxs h TYR 39 Ca -0.47 -0.30 0.00 0.00 0.05 0.00 0.00 58.73 58.01 1jxs h TYR 39 Cb 1.29 -0.12 0.00 0.00 1.01 0.00 0.00 36.73 38.91 1jxs h TYR 39 CO 0.41 1.07 0.00 0.66 -1.05 0.00 0.00 178.16 179.25 1jxs n TYR 40 N -4.24 -1.83 -3.18 4.88 4.02 -1.26 -4.38 117.16 111.17 1jxs n TYR 40 Ca -0.07 0.00 -0.22 0.00 -0.01 0.00 0.00 57.90 57.59 1jxs n TYR 40 Cb 0.58 -0.92 -0.05 0.00 -0.02 0.00 0.00 39.34 38.92 1jxs n TYR 40 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 176.86 173.72 1jxs n ARG 41 N -2.28 1.38 0.00 -0.72 0.00 -1.26 -4.83 116.66 108.95 1jxs n ARG 41 Ca 0.00 -3.68 0.00 0.00 -0.00 0.00 0.00 57.85 54.17 1jxs n ARG 41 Cb 0.45 -1.68 0.00 0.00 0.00 0.00 0.00 32.46 31.23 1jxs n ARG 41 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.63 180.04 1jxs n THR 42 N 0.65 0.00 -3.08 5.15 -1.04 -1.26 -5.08 114.28 109.62 1jxs n THR 42 Ca 0.25 0.00 0.03 0.00 -2.04 0.00 0.00 64.05 62.29 1jxs n THR 42 Cb 0.55 0.00 -0.00 0.00 -1.82 0.00 0.00 70.33 69.06 1jxs n THR 42 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1jxs s ALA 43 N -1.19 -3.15 0.00 2.41 0.00 -1.26 -5.08 121.76 113.48 1jxs s ALA 43 Ca 0.00 0.84 0.00 0.00 0.00 0.00 0.00 51.96 52.80 1jxs s ALA 43 Cb 0.00 -2.78 0.00 0.00 0.00 0.00 0.00 23.12 20.34 1jxs s ALA 43 CO 0.00 -2.18 0.00 -3.47 0.00 0.00 0.00 175.76 170.11 1jxs n ASP 44 N 4.57 0.00 -1.58 0.00 2.03 -1.26 -5.02 116.55 115.29 1jxs n ASP 44 Ca 0.08 0.00 -0.11 0.00 0.52 0.00 0.00 54.79 55.28 1jxs n ASP 44 Cb 0.58 0.00 0.09 0.00 -0.72 0.00 0.00 41.12 41.07 1jxs n ASP 44 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1jxs n LYS 45 N 0.00 1.67 -0.08 -0.67 4.81 -1.26 -4.29 118.16 118.34 1jxs n LYS 45 Ca 0.00 -1.46 -0.07 0.00 -0.87 0.00 0.00 58.31 55.90 1jxs n LYS 45 Cb 0.00 -1.59 -0.03 0.00 0.02 0.00 0.00 35.03 33.43 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 -0.27 -0.92 0.13 3.14 0.00 -1.26 -4.15 105.19 101.85 1jxs n GLY 46 Ca 0.28 -0.13 0.11 0.00 0.00 0.00 0.00 46.02 46.28 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 -4.58 0.72 0.10 1.61 4.27 -1.26 -2.94 117.44 115.36 1jxs n TRP 47 Ca -0.11 0.30 -0.12 0.00 -3.89 0.00 0.00 57.50 53.68 1jxs n TRP 47 Cb 0.34 -0.99 -0.06 0.00 -1.36 0.00 0.00 31.31 29.24 1jxs n TRP 47 CO 0.00 0.00 0.00 1.96 -2.29 0.00 0.00 177.69 177.36 1jxs h GLN 48 N 0.00 -0.28 0.00 -2.67 4.20 -1.77 -0.40 115.11 114.18 1jxs h GLN 48 Ca 0.00 0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.73 1jxs h GLN 48 Cb 0.26 0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.11 1jxs h GLN 48 CO 0.00 -0.19 0.00 -1.71 -0.67 0.00 0.00 178.83 176.26 1jxs n ASN 49 N -5.27 0.00 -0.01 1.46 5.15 -1.15 -3.63 115.26 111.81 1jxs n ASN 49 Ca -0.07 -0.46 -0.11 0.00 -0.60 0.00 0.00 54.58 53.34 1jxs n ASN 49 Cb 0.18 -0.16 -0.09 0.00 -0.53 0.00 0.00 39.78 39.19 1jxs n ASN 49 CO 0.00 0.00 0.00 -1.28 1.40 0.00 0.00 177.26 177.38 1jxs h SER 50 N 0.00 -0.07 0.11 1.20 0.87 -1.08 -3.06 113.55 111.52 1jxs h SER 50 Ca 0.00 -0.54 0.02 0.00 -1.23 0.00 0.00 61.79 60.04 1jxs h SER 50 Cb 0.15 0.02 -0.04 0.00 -0.44 0.00 0.00 62.40 62.09 1jxs h SER 50 CO 0.00 0.62 -0.33 0.40 -0.53 0.00 0.00 176.83 176.99 1jxs h ILE 51 N -0.89 0.30 -0.95 2.23 1.08 -1.55 0.11 117.51 117.84 1jxs h ILE 51 Ca -0.01 0.00 0.27 0.00 -0.39 0.00 0.00 64.86 64.74 1jxs h ILE 51 Cb 0.61 0.30 -0.04 0.00 -3.07 0.00 0.00 36.82 34.63 1jxs h ILE 51 CO 0.01 0.00 0.72 -0.09 -0.69 0.00 0.00 178.15 178.10 1jxs h ARG 52 N -0.55 0.00 -0.56 2.37 1.12 -1.69 0.33 114.38 115.40 1jxs h ARG 52 Ca 0.03 0.00 -0.10 0.00 -1.11 0.00 0.00 59.98 58.80 1jxs h ARG 52 Cb 0.58 0.00 -0.02 0.00 -0.01 0.00 0.00 29.97 30.52 1jxs h ARG 52 CO -0.20 0.00 -0.03 1.25 -3.11 0.00 0.00 179.97 177.88 1jxs h HIS 53 N 0.00 1.09 0.00 2.20 2.76 -0.67 -2.68 115.15 117.84 1jxs h HIS 53 Ca 0.45 -0.19 -0.05 0.00 -2.20 0.00 0.00 60.37 58.37 1jxs h HIS 53 Cb 1.88 -0.28 -0.01 0.00 1.55 0.00 0.00 27.41 30.55 1jxs h HIS 53 CO 0.00 0.98 -0.31 -0.91 -1.30 0.00 0.00 177.93 176.39 1jxs h ASN 54 N 0.91 0.00 0.13 3.26 -0.26 -0.12 -2.37 115.58 117.12 1jxs h ASN 54 Ca 0.16 0.00 -0.01 0.00 -0.56 0.00 0.00 56.30 55.89 1jxs h ASN 54 Cb 0.57 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 37.83 1jxs h ASN 54 CO 0.03 0.25 -0.04 -0.07 -1.06 0.00 0.00 177.43 176.54 1jxs h LEU 55 N 0.00 0.00 0.00 1.61 -0.00 -0.87 -0.19 115.31 115.86 1jxs h LEU 55 Ca -0.01 0.00 -0.27 0.00 -0.00 0.00 0.00 57.88 57.60 1jxs h LEU 55 Cb 1.20 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 41.82 1jxs h LEU 55 CO 0.03 0.04 -1.84 -0.24 -0.00 0.00 0.00 178.44 176.43 1jxs n SER 56 N -3.74 1.94 -0.06 -0.43 2.88 -1.18 -4.55 113.62 108.47 1jxs n SER 56 Ca -0.03 0.36 -0.07 0.00 -1.33 0.00 0.00 58.87 57.80 1jxs n SER 56 Cb 0.13 -0.80 -0.05 0.00 -0.75 0.00 0.00 64.21 62.74 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 -1.00 -0.91 -8.90 2.46 5.85 -1.37 -3.27 115.31 108.18 1jxs h LEU 57 Ca -0.41 0.12 -0.57 0.00 0.84 0.00 0.00 57.88 57.86 1jxs h LEU 57 Cb 1.34 0.37 -0.04 0.00 0.37 0.00 0.00 40.66 42.69 1jxs h LEU 57 CO -0.25 -0.20 1.07 0.20 -0.34 0.00 0.00 178.44 178.92 1jxs s ASN 58 N -3.84 6.40 0.00 1.25 0.01 -0.09 -4.85 114.94 113.82 1jxs s ASN 58 Ca -0.07 1.14 0.27 0.00 -0.71 0.00 0.00 52.86 53.50 1jxs s ASN 58 Cb 0.04 -2.54 0.94 0.00 0.41 0.00 0.00 41.25 40.10 1jxs s ASN 58 CO 0.30 -1.32 1.68 0.54 -1.51 0.00 0.00 177.10 176.79 1jxs n ARG 59 N 7.80 0.75 -0.24 -0.60 3.00 -1.23 -3.87 116.66 122.26 1jxs n ARG 59 Ca 0.17 -0.38 0.31 0.00 -0.01 0.00 0.00 57.85 57.94 1jxs n ARG 59 Cb 0.47 -1.49 0.72 0.00 0.00 0.00 0.00 32.46 32.16 1jxs n ARG 59 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.63 179.51 1jxs h TYR 60 N 0.92 0.05 -1.81 -1.55 -1.99 -1.90 -3.28 116.97 107.41 1jxs h TYR 60 Ca 0.00 0.00 -0.55 0.00 2.00 0.00 0.00 58.73 60.19 1jxs h TYR 60 Cb 0.45 -0.01 -0.08 0.00 2.00 0.00 0.00 36.73 39.08 1jxs h TYR 60 CO 0.00 0.01 1.22 -0.06 -0.00 0.00 0.00 178.16 179.33 1jxs s PHE 61 N -5.00 2.30 -1.16 4.88 0.08 -1.25 -3.21 117.98 114.62 1jxs s PHE 61 Ca -0.05 -0.23 -0.21 0.00 0.12 0.00 0.00 56.93 56.56 1jxs s PHE 61 Cb 0.22 -4.58 0.03 0.00 -0.57 0.00 0.00 43.02 38.12 1jxs s PHE 61 CO 0.79 -2.03 1.70 0.96 -0.10 0.00 0.00 175.22 176.53 1jxs s ILE 62 N 5.94 3.92 -0.06 0.64 -4.36 0.30 -4.72 121.20 122.86 1jxs s ILE 62 Ca 0.43 -1.28 -0.22 0.00 -0.26 0.00 0.00 60.65 59.32 1jxs s ILE 62 Cb -0.05 -4.96 -0.04 0.00 1.25 0.00 0.00 42.46 38.65 1jxs s ILE 62 CO 0.06 -1.76 0.65 -0.75 0.24 0.00 0.00 174.94 173.39 1jxs s LYS 63 N 5.03 4.41 -0.08 0.37 2.36 -1.26 -3.38 119.74 127.19 1jxs s LYS 63 Ca 0.55 0.80 -0.03 0.00 -2.55 0.00 0.00 55.97 54.74 1jxs s LYS 63 Cb 0.01 -3.42 -0.04 0.00 -1.05 0.00 0.00 37.83 33.33 1jxs s LYS 63 CO 0.02 0.15 0.06 0.14 1.55 0.00 0.00 175.35 177.27 1jxs s VAL 64 N 0.54 4.74 0.48 4.02 -7.23 -1.09 -4.95 120.40 116.91 1jxs s VAL 64 Ca 0.35 -0.13 -0.19 0.00 -1.81 0.00 0.00 61.98 60.20 1jxs s VAL 64 Cb -0.18 -3.04 -0.09 0.00 0.56 0.00 0.00 36.38 33.63 1jxs s VAL 64 CO 0.17 0.57 0.98 -2.16 -0.31 0.00 0.00 175.10 174.36 1jxs s PRO 65 N -1.05 4.02 0.15 4.82 0.04 -1.26 -3.68 135.00 138.04 1jxs s PRO 65 Ca 0.15 1.10 -0.20 0.00 0.04 0.00 0.00 61.00 62.10 1jxs s PRO 65 Cb -0.12 -2.14 0.05 0.00 0.04 0.00 0.00 34.50 32.33 1jxs s PRO 65 CO 0.04 -0.21 0.51 1.03 0.04 0.00 0.00 177.00 178.41 1jxs s ARG 66 N -3.54 1.19 0.33 4.56 0.52 -1.26 -5.04 118.95 115.70 1jxs s ARG 66 Ca 0.62 -0.60 0.00 0.00 -0.52 0.00 0.00 55.73 55.23 1jxs s ARG 66 Cb -0.11 0.53 0.00 0.00 0.52 0.00 0.00 34.95 35.90 1jxs s ARG 66 CO 0.22 -0.50 0.00 -1.13 0.02 0.00 0.00 175.30 173.91 1jxs n SER 67 N -0.31 -5.94 -4.53 0.23 3.41 -1.26 -4.06 113.62 101.16 1jxs n SER 67 Ca -0.16 0.68 -0.43 0.00 -0.26 0.00 0.00 58.87 58.70 1jxs n SER 67 Cb 0.64 -3.65 -0.01 0.00 -0.26 0.00 0.00 64.21 60.93 1jxs n SER 67 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1jxs s GLN 68 N -3.09 3.92 -1.26 4.33 -1.52 -1.26 -4.43 119.66 116.34 1jxs s GLN 68 Ca 0.00 -2.02 -0.15 0.00 -1.95 0.00 0.00 55.36 51.24 1jxs s GLN 68 Cb 0.00 -5.31 0.14 0.00 -0.22 0.00 0.00 33.01 27.63 1jxs s GLN 68 CO 0.00 -2.05 0.43 -1.91 -0.25 0.00 0.00 175.29 171.50 1jxs n GLU 69 N 7.46 -1.86 -1.61 2.91 2.13 -1.26 -4.81 120.64 123.59 1jxs n GLU 69 Ca 0.40 0.16 -0.37 0.00 0.66 0.00 0.00 57.16 58.01 1jxs n GLU 69 Cb 0.46 -4.74 0.07 0.00 0.27 0.00 0.00 31.44 27.50 1jxs n GLU 69 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1jxs n GLU 70 N -3.59 0.90 0.00 5.31 4.71 -1.26 -4.98 120.64 121.73 1jxs n GLU 70 Ca 0.07 0.36 0.00 0.00 -0.01 0.00 0.00 57.16 57.58 1jxs n GLU 70 Cb 0.48 -2.38 0.00 0.00 -1.01 0.00 0.00 31.44 28.53 1jxs n GLU 70 CO 0.00 0.00 0.00 -0.35 0.09 0.00 0.00 177.13 176.87 1jxs n PRO 71 N -1.76 0.00 -0.27 3.49 -0.04 -1.26 -3.66 135.00 131.50 1jxs n PRO 71 Ca 0.15 0.00 0.33 0.00 -0.04 0.00 0.00 63.50 63.94 1jxs n PRO 71 Cb 0.48 -0.49 0.70 0.00 -0.04 0.00 0.00 33.50 34.15 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 0.00 0.00 -6.64 0.55 0.00 -2.03 -1.89 103.07 93.06 1jxs h GLY 72 Ca 0.00 0.00 -0.76 0.00 0.00 0.00 0.00 47.33 46.57 1jxs h GLY 72 CO 0.00 0.00 0.47 0.28 0.00 0.00 0.00 176.54 177.29 1jxs n LYS 73 N -3.87 4.12 0.00 4.80 5.02 -1.26 -5.02 118.16 121.96 1jxs n LYS 73 Ca 0.24 -4.61 0.00 0.00 -2.02 0.00 0.00 58.31 51.92 1jxs n LYS 73 Cb 1.28 -2.44 0.00 0.00 -0.02 0.00 0.00 35.03 33.85 1jxs n LYS 73 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1jxs n GLY 74 N 1.03 -2.05 3.81 0.72 0.00 -0.71 -4.23 105.19 103.75 1jxs n GLY 74 Ca 0.29 -1.10 -0.22 0.00 0.00 0.00 0.00 46.02 44.99 1jxs n GLY 74 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1jxs s SER 75 N -1.71 4.90 -0.13 1.61 0.01 -1.26 -4.72 113.70 112.40 1jxs s SER 75 Ca 0.00 -0.74 -0.02 0.00 1.31 0.00 0.00 55.95 56.50 1jxs s SER 75 Cb 0.00 -0.71 -0.03 0.00 0.21 0.00 0.00 66.02 65.50 1jxs s SER 75 CO 0.00 -0.45 -0.06 0.12 0.41 0.00 0.00 173.24 173.26 1jxs s PHE 76 N -2.44 2.97 -0.44 2.43 5.36 -1.24 -3.83 117.98 120.79 1jxs s PHE 76 Ca 0.42 -0.26 -0.09 0.00 -0.96 0.00 0.00 56.93 56.04 1jxs s PHE 76 Cb -0.03 -1.87 0.10 0.00 -0.34 0.00 0.00 43.02 40.89 1jxs s PHE 76 CO 0.25 0.04 0.30 -1.58 -1.46 0.00 0.00 175.22 172.77 1jxs s TRP 77 N 0.02 3.39 0.25 10.12 0.52 -0.08 -2.67 118.94 130.50 1jxs s TRP 77 Ca -0.01 -1.75 0.09 0.00 0.02 0.00 0.00 56.10 54.45 1jxs s TRP 77 Cb -0.14 -3.24 -0.04 0.00 -1.15 0.00 0.00 33.47 28.90 1jxs s TRP 77 CO 0.03 -0.93 0.02 -0.98 0.02 0.00 0.00 176.95 175.11 1jxs s ARG 78 N 1.38 2.38 0.02 4.98 1.70 -1.22 -3.03 118.95 125.16 1jxs s ARG 78 Ca 0.05 -1.34 -0.01 0.00 -0.47 0.00 0.00 55.73 53.96 1jxs s ARG 78 Cb -0.25 -2.23 -0.04 0.00 -0.57 0.00 0.00 34.95 31.86 1jxs s ARG 78 CO 0.00 0.38 0.15 -1.50 -1.08 0.00 0.00 175.30 173.25 1jxs s ILE 79 N -2.23 5.14 0.97 4.99 1.10 -1.21 0.11 121.20 130.07 1jxs s ILE 79 Ca 0.31 -0.35 -0.15 0.00 -0.51 0.00 0.00 60.65 59.94 1jxs s ILE 79 Cb -0.07 -3.43 0.19 0.00 0.15 0.00 0.00 42.46 39.30 1jxs s ILE 79 CO 0.20 0.26 1.23 -1.81 -2.11 0.00 0.00 174.94 172.72 1jxs s ASP 80 N -2.09 2.99 0.03 4.50 1.11 -1.20 -4.86 116.67 117.16 1jxs s ASP 80 Ca 0.28 0.52 0.23 0.00 0.18 0.00 0.00 52.55 53.77 1jxs s ASP 80 Cb -0.12 -0.76 0.96 0.00 1.07 0.00 0.00 42.92 44.07 1jxs s ASP 80 CO 0.20 -2.83 1.73 -0.81 1.18 0.00 0.00 175.17 174.64 1jxs n PRO 81 N -3.88 0.03 -2.73 8.23 -0.04 -1.26 -3.43 135.00 131.92 1jxs n PRO 81 Ca 0.12 0.13 -0.15 0.00 -0.04 0.00 0.00 63.50 63.57 1jxs n PRO 81 Cb 0.60 -1.54 0.01 0.00 -0.04 0.00 0.00 33.50 32.52 1jxs n PRO 81 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1jxs n ALA 82 N -1.53 3.59 0.04 0.55 0.00 -1.26 -4.85 120.51 117.05 1jxs n ALA 82 Ca 0.05 -3.51 0.00 0.00 0.00 0.00 0.00 53.44 49.99 1jxs n ALA 82 Cb 0.27 -0.85 0.00 0.00 0.00 0.00 0.00 19.45 18.88 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 -0.10 -0.24 0.02 0.00 7.64 -1.22 -4.89 113.62 114.82 1jxs n SER 83 Ca 0.19 0.14 -0.08 0.00 1.01 0.00 0.00 58.87 60.13 1jxs n SER 83 Cb 0.74 0.35 -0.05 0.00 -1.01 0.00 0.00 64.21 64.23 1jxs n SER 83 CO 0.00 0.00 0.00 1.05 -3.01 0.00 0.00 175.04 173.08 1jxs h GLU 84 N 0.00 -0.33 -0.96 1.43 4.11 -1.87 0.12 114.58 117.09 1jxs h GLU 84 Ca 0.00 0.02 0.28 0.00 0.07 0.00 0.00 59.36 59.73 1jxs h GLU 84 Cb 0.00 0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.29 1jxs h GLU 84 CO 0.00 -0.22 1.05 -1.13 0.07 0.00 0.00 179.01 178.78 1jxs n SER 85 N -4.05 0.00 -0.04 3.06 3.41 -1.26 0.56 113.62 115.30 1jxs n SER 85 Ca -0.04 0.66 -0.19 0.00 -0.26 0.00 0.00 58.87 59.04 1jxs n SER 85 Cb 0.20 -0.24 -0.13 0.00 -0.26 0.00 0.00 64.21 63.78 1jxs n SER 85 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1jxs h LYS 86 N 0.00 0.10 0.00 4.33 6.56 -1.11 -3.29 116.57 123.16 1jxs h LYS 86 Ca 0.46 -0.17 -0.09 0.00 -1.06 0.00 0.00 60.65 59.78 1jxs h LYS 86 Cb 2.54 0.06 -0.01 0.00 -0.57 0.00 0.00 32.23 34.26 1jxs h LYS 86 CO -0.00 1.08 -0.44 1.37 -2.06 0.00 0.00 179.45 179.40 1jxs h LEU 87 N -0.74 0.00 -1.42 2.94 -0.00 0.51 -2.54 115.31 114.07 1jxs h LEU 87 Ca -0.19 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.69 1jxs h LEU 87 Cb 1.36 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.02 1jxs h LEU 87 CO -0.02 0.44 0.00 0.16 -0.00 0.00 0.00 178.44 179.01 1jxs h ILE 88 N 0.00 0.00 0.00 0.15 -2.65 -1.13 0.46 117.51 114.34 1jxs h ILE 88 Ca -0.00 -0.52 -0.14 0.00 1.03 0.00 0.00 64.86 65.22 1jxs h ILE 88 Cb 1.07 1.52 -0.02 0.00 -2.05 0.00 0.00 36.82 37.35 1jxs h ILE 88 CO 0.06 0.00 -0.67 -0.08 0.03 0.00 0.00 178.15 177.49 1jxs h GLU 89 N 0.00 0.00 0.00 0.16 4.81 -1.52 -1.69 114.58 116.34 1jxs h GLU 89 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1jxs h GLU 89 Cb 0.52 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.90 1jxs h GLU 89 CO 0.00 0.67 -1.01 0.00 -0.73 0.00 0.00 179.01 177.95 1jxs n GLN 90 N -3.50 0.14 -0.09 1.92 10.64 -0.48 -3.72 117.38 122.30 1jxs n GLN 90 Ca -0.00 -0.00 -0.23 0.00 -1.83 0.00 0.00 57.00 54.94 1jxs n GLN 90 Cb 0.72 -1.48 -0.12 0.00 -0.86 0.00 0.00 30.24 28.50 1jxs n GLN 90 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1jxs n ALA 91 N -1.51 0.88 0.18 2.61 0.00 0.15 -4.17 120.51 118.66 1jxs n ALA 91 Ca 0.04 -0.61 0.03 0.00 0.00 0.00 0.00 53.44 52.90 1jxs n ALA 91 Cb 0.33 -0.48 0.35 0.00 0.00 0.00 0.00 19.45 19.65 1jxs n ALA 91 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 1jxs h PHE 92 N -0.74 0.00 -3.45 0.00 0.04 -1.52 -3.36 116.94 107.91 1jxs h PHE 92 Ca -0.42 0.00 -0.75 0.00 2.80 0.00 0.00 57.97 59.59 1jxs h PHE 92 Cb 1.52 0.00 -0.27 0.00 2.20 0.00 0.00 35.95 39.40 1jxs h PHE 92 CO 0.07 0.40 -0.17 0.50 -0.60 0.00 0.00 178.31 178.50 1jxs s ARG 93 N -3.97 3.02 1.28 1.51 3.52 -1.24 -5.06 118.95 118.01 1jxs s ARG 93 Ca -0.02 -2.09 -0.16 0.00 -0.13 0.00 0.00 55.73 53.33 1jxs s ARG 93 Cb 0.13 -4.18 0.33 0.00 -1.56 0.00 0.00 34.95 29.67 1jxs s ARG 93 CO 0.71 -1.26 0.95 0.36 -0.81 0.00 0.00 175.30 175.24 1jxs n LYS 94 N 4.50 -3.31 -0.35 5.12 2.85 -1.26 -4.71 118.16 121.00 1jxs n LYS 94 Ca -0.00 -0.95 -0.30 0.00 -1.05 0.00 0.00 58.31 56.00 1jxs n LYS 94 Cb 0.42 -2.07 0.29 0.00 -0.65 0.00 0.00 35.03 33.02 1jxs n LYS 94 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 1jxs s ARG 95 N -4.55 -2.87 -0.48 -1.58 0.52 -1.26 -4.99 118.95 103.74 1jxs s ARG 95 Ca 0.68 0.21 0.05 0.00 -0.52 0.00 0.00 55.73 56.15 1jxs s ARG 95 Cb -0.22 -1.38 0.19 0.00 0.52 0.00 0.00 34.95 34.06 1jxs s ARG 95 CO 0.63 -4.85 0.42 2.89 0.02 0.00 0.00 175.30 174.41 1jxs n ARG 96 N -5.63 0.71 -1.97 3.54 1.85 -1.26 -5.02 116.66 108.87 1jxs n ARG 96 Ca 0.12 -3.52 -0.42 0.00 -1.00 0.00 0.00 57.85 53.03 1jxs n ARG 96 Cb 0.59 -1.75 -0.00 0.00 -1.05 0.00 0.00 32.46 30.25 1jxs n ARG 96 CO 0.00 0.00 0.00 -0.35 -0.01 0.00 0.00 177.63 177.27 1jxs n PRO 97 N 2.35 2.91 0.00 2.89 -0.04 -1.26 -5.36 135.00 136.49 1jxs n PRO 97 Ca 0.27 -2.78 0.00 0.00 -0.04 0.00 0.00 63.50 60.94 1jxs n PRO 97 Cb 0.46 -3.35 0.01 0.00 -0.04 0.00 0.00 33.50 30.58 1jxs n PRO 97 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00