#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 0.00 -0.24 -2.24 3.41 -1.26 -4.28 113.62 109.01 1jxs n SER 2 Ca 0.00 -0.81 0.02 0.00 -0.26 0.00 0.00 58.87 57.82 1jxs n SER 2 Cb 0.00 0.00 0.15 0.00 -0.26 0.00 0.00 64.21 64.10 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 0.00 0.51 -6.65 4.33 3.11 -1.95 -3.36 116.57 112.56 1jxs h LYS 3 Ca 0.00 -0.03 -0.56 0.00 -2.81 0.00 0.00 60.65 57.25 1jxs h LYS 3 Cb 0.00 -0.12 -0.06 0.00 -1.00 0.00 0.00 32.23 31.05 1jxs h LYS 3 CO 0.00 0.34 0.96 -1.25 -2.81 0.00 0.00 179.45 176.69 1jxs s PRO 4 N -6.05 3.69 0.00 1.90 0.04 -1.26 -4.73 135.00 128.59 1jxs s PRO 4 Ca -0.13 0.68 0.00 0.00 0.04 0.00 0.00 61.00 61.59 1jxs s PRO 4 Cb 0.19 -3.93 0.00 0.00 0.04 0.00 0.00 34.50 30.79 1jxs s PRO 4 CO 0.76 -1.42 0.00 -0.35 0.04 0.00 0.00 177.00 176.03 1jxs n PRO 5 N 7.88 0.00 0.00 0.56 -0.04 -1.26 -5.03 135.00 137.11 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 0.49 -0.13 0.00 0.00 -0.04 0.00 0.00 33.50 33.82 1jxs n PRO 5 CO 0.00 0.00 0.00 0.98 -0.04 0.00 0.00 175.50 176.44 1jxs n TYR 6 N -0.20 0.00 0.00 0.54 4.19 -1.26 -5.03 117.16 115.40 1jxs n TYR 6 Ca 0.00 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.21 1jxs n TYR 6 Cb 0.00 0.00 0.00 0.00 0.49 0.00 0.00 39.34 39.83 1jxs n TYR 6 CO 0.00 0.00 0.00 0.43 0.91 0.00 0.00 176.86 178.20 1jxs n SER 7 N 0.00 0.00 -0.03 2.98 7.64 -1.26 -4.92 113.62 118.03 1jxs n SER 7 Ca 0.00 0.00 0.04 0.00 1.01 0.00 0.00 58.87 59.92 1jxs n SER 7 Cb 0.00 0.00 -0.16 0.00 -1.01 0.00 0.00 64.21 63.04 1jxs n SER 7 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1jxs n TYR 8 N -0.03 0.03 1.36 1.43 4.01 -1.26 -3.87 117.16 118.82 1jxs n TYR 8 Ca 0.00 0.01 0.14 0.00 -0.16 0.00 0.00 57.90 57.88 1jxs n TYR 8 Cb 0.00 -0.67 0.48 0.00 -0.31 0.00 0.00 39.34 38.84 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 -2.41 2.88 -0.12 -0.72 0.00 -1.26 -4.02 120.51 114.86 1jxs n ALA 9 Ca -0.13 -0.38 -0.16 0.00 0.00 0.00 0.00 53.44 52.78 1jxs n ALA 9 Cb 0.75 -1.19 -0.12 0.00 0.00 0.00 0.00 19.45 18.89 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 -0.53 0.66 0.00 0.00 1.13 -1.26 -4.07 117.38 113.30 1jxs n GLN 10 Ca 0.15 0.12 0.02 0.00 -1.94 0.00 0.00 57.00 55.34 1jxs n GLN 10 Cb 0.33 -1.48 0.10 0.00 0.11 0.00 0.00 30.24 29.30 1jxs n GLN 10 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 1jxs n LEU 11 N -3.13 0.00 -0.11 1.08 4.77 -1.25 -2.09 117.00 116.27 1jxs n LEU 11 Ca -0.41 0.47 -0.23 0.00 -0.03 0.00 0.00 56.01 55.81 1jxs n LEU 11 Cb 0.98 -0.47 -0.12 0.00 -2.33 0.00 0.00 43.42 41.49 1jxs n LEU 11 CO 0.27 -0.39 -1.20 -0.38 -1.33 0.00 0.00 177.39 174.36 1jxs n ILE 12 N -1.47 1.55 -0.00 -0.08 5.41 -1.26 -3.87 119.36 119.64 1jxs n ILE 12 Ca 0.01 -0.45 -0.00 0.00 1.00 0.00 0.00 62.75 63.31 1jxs n ILE 12 Cb 0.05 -1.71 -0.00 0.00 -0.71 0.00 0.00 39.64 37.27 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 -0.47 0.00 -0.41 1.39 2.07 -1.57 -1.28 116.25 115.99 1jxs h VAL 13 Ca -0.57 0.00 0.05 0.00 0.82 0.00 0.00 66.70 66.99 1jxs h VAL 13 Cb 1.74 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 31.44 1jxs h VAL 13 CO -0.20 0.00 -0.47 0.06 0.02 0.00 0.00 177.57 176.98 1jxs h GLN 14 N -0.00 -0.28 -1.00 1.57 3.07 -1.76 0.16 115.11 116.86 1jxs h GLN 14 Ca 0.00 0.02 0.40 0.00 0.09 0.00 0.00 58.65 59.16 1jxs h GLN 14 Cb 0.01 0.06 -0.15 0.00 0.08 0.00 0.00 27.48 27.48 1jxs h GLN 14 CO -0.01 -0.19 0.58 0.00 0.09 0.00 0.00 178.83 179.30 1jxs n ALA 15 N -3.05 1.02 -0.04 0.06 0.00 -0.69 0.22 120.51 118.03 1jxs n ALA 15 Ca -0.02 0.89 -0.01 0.00 0.00 0.00 0.00 53.44 54.30 1jxs n ALA 15 Cb 0.28 -0.93 -0.00 0.00 0.00 0.00 0.00 19.45 18.79 1jxs n ALA 15 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1jxs h ILE 16 N 0.00 0.00 0.30 0.00 5.03 0.34 -3.14 117.51 120.04 1jxs h ILE 16 Ca 0.78 -0.80 -0.01 0.00 -0.12 0.00 0.00 64.86 64.71 1jxs h ILE 16 Cb 2.19 0.00 0.00 0.00 -3.03 0.00 0.00 36.82 35.98 1jxs h ILE 16 CO -0.62 0.00 -0.15 0.74 -0.68 0.00 0.00 178.15 177.44 1jxs h THR 17 N -0.80 0.00 -0.93 -0.27 2.02 0.09 -3.00 112.91 110.02 1jxs h THR 17 Ca 0.00 -0.33 0.27 0.00 0.77 0.00 0.00 66.41 67.12 1jxs h THR 17 Cb 0.06 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 66.43 1jxs h THR 17 CO 0.00 0.00 1.05 -0.03 0.37 0.00 0.00 175.52 176.91 1jxs h MET 18 N -0.73 0.00 -6.39 6.66 1.85 0.26 -3.38 114.93 113.20 1jxs h MET 18 Ca -0.04 0.00 -0.55 0.00 -0.61 0.00 0.00 59.70 58.50 1jxs h MET 18 Cb 0.31 0.00 -0.04 0.00 0.43 0.00 0.00 31.60 32.30 1jxs h MET 18 CO 0.07 0.00 0.05 0.00 -0.40 0.00 0.00 176.91 176.62 1jxs s ALA 19 N -4.49 3.52 -1.16 0.39 0.00 -0.93 -4.95 121.76 114.13 1jxs s ALA 19 Ca -0.03 0.13 -0.21 0.00 0.00 0.00 0.00 51.96 51.85 1jxs s ALA 19 Cb 0.15 -2.75 0.03 0.00 0.00 0.00 0.00 23.12 20.55 1jxs s ALA 19 CO 0.50 0.36 1.69 -1.25 0.00 0.00 0.00 175.76 177.07 1jxs s PRO 20 N -1.38 3.52 0.00 0.00 0.04 -1.26 -3.11 135.00 132.81 1jxs s PRO 20 Ca 0.34 -1.45 0.00 0.00 0.04 0.00 0.00 61.00 59.94 1jxs s PRO 20 Cb -0.19 -5.40 0.00 0.00 0.04 0.00 0.00 34.50 28.95 1jxs s PRO 20 CO 0.21 -2.59 0.00 -0.40 0.04 0.00 0.00 177.00 174.27 1jxs n ASP 21 N 9.90 0.00 0.00 6.66 5.68 -1.26 -4.93 116.55 132.59 1jxs n ASP 21 Ca 0.42 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.71 1jxs n ASP 21 Cb 0.48 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.46 1jxs n ASP 21 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1jxs n LYS 22 N 0.00 -0.69 -4.60 0.11 5.02 -1.16 -4.96 118.16 111.89 1jxs n LYS 22 Ca 0.00 0.17 -0.23 0.00 -2.02 0.00 0.00 58.31 56.23 1jxs n LYS 22 Cb 0.00 -3.84 -0.16 0.00 -0.02 0.00 0.00 35.03 31.01 1jxs n LYS 22 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1jxs s GLN 23 N -0.84 1.41 -0.08 1.97 -0.21 -1.26 -2.28 119.66 118.37 1jxs s GLN 23 Ca 0.00 -0.44 -0.06 0.00 0.02 0.00 0.00 55.36 54.88 1jxs s GLN 23 Cb 0.00 -1.24 0.03 0.00 1.00 0.00 0.00 33.01 32.80 1jxs s GLN 23 CO 0.00 0.15 0.21 -0.51 -2.12 0.00 0.00 175.29 173.02 1jxs s LEU 24 N 0.22 0.84 0.89 2.90 2.01 -1.10 -4.88 118.68 119.56 1jxs s LEU 24 Ca -0.05 0.43 -0.14 0.00 0.01 0.00 0.00 54.13 54.38 1jxs s LEU 24 Cb -0.11 0.65 0.14 0.00 0.01 0.00 0.00 46.19 46.87 1jxs s LEU 24 CO 0.02 -0.12 1.22 0.28 1.01 0.00 0.00 176.35 178.75 1jxs s THR 25 N 0.72 1.98 0.29 5.49 -1.32 -1.26 -1.99 115.64 119.54 1jxs s THR 25 Ca -0.05 0.00 0.01 0.00 -1.21 0.00 0.00 61.69 60.44 1jxs s THR 25 Cb -0.06 -2.94 0.28 0.00 -1.51 0.00 0.00 72.50 68.27 1jxs s THR 25 CO -0.04 0.00 1.85 0.25 -2.21 0.00 0.00 174.62 174.47 1jxs h LEU 26 N -1.38 0.93 -1.25 9.08 6.46 -1.93 0.17 115.31 127.39 1jxs h LEU 26 Ca -0.46 0.04 0.26 0.00 -0.12 0.00 0.00 57.88 57.60 1jxs h LEU 26 Cb 1.30 -0.15 -0.10 0.00 -0.73 0.00 0.00 40.66 40.98 1jxs h LEU 26 CO 0.55 0.52 0.65 -1.13 -0.62 0.00 0.00 178.44 178.40 1jxs h ASN 27 N 1.01 0.52 -0.26 1.25 -0.73 -1.96 -2.79 115.58 112.63 1jxs h ASN 27 Ca 0.48 0.10 0.02 0.00 1.87 0.00 0.00 56.30 58.77 1jxs h ASN 27 Cb 0.44 0.01 -0.03 0.00 0.27 0.00 0.00 38.32 39.01 1jxs h ASN 27 CO -0.24 0.10 -0.15 0.61 -0.37 0.00 0.00 177.43 177.38 1jxs n GLY 28 N -1.42 -1.52 0.34 1.57 0.00 0.59 0.17 105.19 104.91 1jxs n GLY 28 Ca 0.26 0.47 -0.03 0.00 0.00 0.00 0.00 46.02 46.72 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 0.16 0.34 -0.61 1.08 -1.69 0.85 117.51 117.65 1jxs h ILE 29 Ca 0.04 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.50 1jxs h ILE 29 Cb 0.11 0.16 0.00 0.00 -3.07 0.00 0.00 36.82 34.02 1jxs h ILE 29 CO -0.25 0.00 -0.16 1.88 -0.69 0.00 0.00 178.15 178.93 1jxs h TYR 30 N -0.09 -0.43 0.00 1.37 0.05 0.15 0.60 116.97 118.62 1jxs h TYR 30 Ca 0.29 -0.01 0.00 0.00 0.05 0.00 0.00 58.73 59.06 1jxs h TYR 30 Cb 0.56 0.14 0.00 0.00 1.01 0.00 0.00 36.73 38.44 1jxs h TYR 30 CO -0.67 -0.27 0.00 2.41 -1.05 0.00 0.00 178.16 178.59 1jxs n THR 31 N -3.24 0.28 -0.05 -2.88 -1.04 -0.07 -1.59 114.28 105.70 1jxs n THR 31 Ca -0.06 0.07 0.01 0.00 -2.04 0.00 0.00 64.05 62.03 1jxs n THR 31 Cb 0.18 -0.92 -0.15 0.00 -1.82 0.00 0.00 70.33 67.61 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 -1.10 0.00 0.00 -1.42 -0.00 0.29 -4.03 115.22 108.96 1jxs n HIS 32 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.78 1jxs n HIS 32 Cb 0.05 -0.68 0.00 0.00 -0.00 0.00 0.00 29.99 29.35 1jxs n HIS 32 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 176.34 175.45 1jxs n ILE 33 N -2.44 0.00 -0.26 3.57 2.08 0.17 -3.43 119.36 119.05 1jxs n ILE 33 Ca -0.17 0.13 0.32 0.00 0.56 0.00 0.00 62.75 63.60 1jxs n ILE 33 Cb 0.81 -0.29 0.59 0.00 -0.75 0.00 0.00 39.64 40.00 1jxs n ILE 33 CO 0.00 0.00 0.00 0.71 0.56 0.00 0.00 176.55 177.82 1jxs h THR 34 N 0.00 0.10 0.09 1.39 1.35 -1.82 0.24 112.91 114.27 1jxs h THR 34 Ca 0.00 0.00 0.01 0.00 -0.55 0.00 0.00 66.41 65.87 1jxs h THR 34 Cb 0.00 0.15 -0.02 0.00 -1.73 0.00 0.00 68.15 66.55 1jxs h THR 34 CO 0.00 0.00 -0.15 0.50 -0.25 0.00 0.00 175.52 175.62 1jxs h LYS 35 N 0.00 -0.28 0.00 4.72 3.11 -1.70 -3.39 116.57 119.03 1jxs h LYS 35 Ca 0.53 0.02 0.00 0.00 -2.81 0.00 0.00 60.65 58.39 1jxs h LYS 35 Cb 2.70 0.06 0.00 0.00 -1.00 0.00 0.00 32.23 34.00 1jxs h LYS 35 CO -0.01 -0.19 -0.31 0.09 -2.81 0.00 0.00 179.45 176.23 1jxs n ASN 36 N -5.27 0.65 -4.14 4.20 3.02 0.78 -4.98 115.26 109.51 1jxs n ASN 36 Ca -0.07 0.16 -0.36 0.00 -0.03 0.00 0.00 54.58 54.29 1jxs n ASN 36 Cb 0.19 -0.59 0.10 0.00 -0.61 0.00 0.00 39.78 38.87 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 -3.15 -1.48 0.00 3.10 4.01 -0.79 -4.59 117.16 114.27 1jxs n TYR 37 Ca -0.04 0.40 0.00 0.00 -0.16 0.00 0.00 57.90 58.09 1jxs n TYR 37 Cb 0.16 -1.47 0.00 0.00 -0.31 0.00 0.00 39.34 37.72 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 0.31 0.00 -3.47 -0.72 -0.04 -1.26 -4.65 135.00 125.17 1jxs n PRO 38 Ca -0.01 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.19 1jxs n PRO 38 Cb 0.69 -0.62 -0.09 0.00 -0.04 0.00 0.00 33.50 33.43 1jxs n PRO 38 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 1jxs n TYR 39 N -0.43 0.90 -1.49 0.54 0.18 -1.26 -4.87 117.16 110.73 1jxs n TYR 39 Ca 0.00 -3.74 -0.28 0.00 1.88 0.00 0.00 57.90 55.76 1jxs n TYR 39 Cb 0.00 -0.22 -0.07 0.00 -0.38 0.00 0.00 39.34 38.68 1jxs n TYR 39 CO 0.00 0.00 0.00 0.98 -2.08 0.00 0.00 176.86 175.76 1jxs n TYR 40 N 1.98 1.57 -1.83 -3.48 9.36 -1.26 -3.76 117.16 119.75 1jxs n TYR 40 Ca 0.25 -2.16 -0.03 0.00 3.32 0.00 0.00 57.90 59.29 1jxs n TYR 40 Cb 0.45 -1.63 -0.03 0.00 -0.63 0.00 0.00 39.34 37.50 1jxs n TYR 40 CO 0.00 0.00 0.00 -2.13 0.22 0.00 0.00 176.86 174.95 1jxs n ARG 41 N 1.64 0.00 -3.69 2.98 3.00 -1.26 -4.75 116.66 114.57 1jxs n ARG 41 Ca 0.53 -0.42 -0.30 0.00 -0.00 0.00 0.00 57.85 57.67 1jxs n ARG 41 Cb 0.53 0.28 -0.15 0.00 0.00 0.00 0.00 32.46 33.11 1jxs n ARG 41 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 1jxs s THR 42 N 0.00 0.66 -1.95 5.15 2.01 -1.25 -4.79 115.64 115.49 1jxs s THR 42 Ca 0.00 -1.25 0.00 0.00 0.31 0.00 0.00 61.69 60.75 1jxs s THR 42 Cb 0.00 -1.51 0.00 0.00 0.01 0.00 0.00 72.50 71.00 1jxs s THR 42 CO 0.00 -0.68 0.00 0.00 -0.69 0.00 0.00 174.62 173.25 1jxs n ALA 43 N 4.94 -0.51 -2.59 7.40 0.00 -1.26 -4.96 120.51 123.53 1jxs n ALA 43 Ca -0.03 0.23 -0.33 0.00 0.00 0.00 0.00 53.44 53.32 1jxs n ALA 43 Cb 0.42 -2.14 -0.05 0.00 0.00 0.00 0.00 19.45 17.68 1jxs n ALA 43 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1jxs s ASP 44 N -2.32 6.57 0.16 0.00 2.15 -1.26 -5.01 116.67 116.96 1jxs s ASP 44 Ca 0.00 0.72 -0.33 0.00 0.43 0.00 0.00 52.55 53.37 1jxs s ASP 44 Cb 0.00 -2.15 -0.16 0.00 -0.30 0.00 0.00 42.92 40.31 1jxs s ASP 44 CO 0.00 0.07 1.06 1.17 -0.17 0.00 0.00 175.17 177.30 1jxs n LYS 45 N 0.34 0.88 -1.52 4.34 4.81 -1.26 -4.53 118.16 121.22 1jxs n LYS 45 Ca -0.04 0.31 -0.19 0.00 -0.87 0.00 0.00 58.31 57.52 1jxs n LYS 45 Cb 0.52 -1.74 -0.18 0.00 0.02 0.00 0.00 35.03 33.65 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 1.90 -0.40 0.62 3.14 0.00 -1.26 -4.60 105.19 104.60 1jxs n GLY 46 Ca 0.16 0.09 0.11 0.00 0.00 0.00 0.00 46.02 46.37 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 9.41 0.00 0.07 1.61 4.27 -1.26 -3.85 117.44 127.69 1jxs n TRP 47 Ca 0.62 0.00 -0.03 0.00 -3.89 0.00 0.00 57.50 54.19 1jxs n TRP 47 Cb 0.23 0.00 -0.02 0.00 -1.36 0.00 0.00 31.31 30.16 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 3.03 -0.21 0.00 -2.67 7.50 -1.95 -2.89 115.11 117.93 1jxs h GLN 48 Ca 0.00 0.01 -0.07 0.00 0.50 0.00 0.00 58.65 59.10 1jxs h GLN 48 Cb 0.81 0.05 -0.01 0.00 0.05 0.00 0.00 27.48 28.37 1jxs h GLN 48 CO 0.00 -0.14 -0.32 -0.91 -1.50 0.00 0.00 178.83 175.96 1jxs h ASN 49 N -0.44 0.00 0.58 1.46 4.21 -1.98 -2.40 115.58 117.02 1jxs h ASN 49 Ca -0.02 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.49 1jxs h ASN 49 Cb 0.16 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.36 1jxs h ASN 49 CO 0.04 0.32 0.00 0.28 -1.29 0.00 0.00 177.43 176.78 1jxs h SER 50 N 0.00 0.00 0.00 5.81 0.02 -1.67 -3.22 113.55 114.49 1jxs h SER 50 Ca -0.00 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.92 1jxs h SER 50 Cb 0.77 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.30 1jxs h SER 50 CO 0.04 0.00 -0.43 -0.29 -1.14 0.00 0.00 176.83 175.01 1jxs h ILE 51 N 0.00 0.17 -1.04 3.27 6.09 -1.20 -3.33 117.51 121.47 1jxs h ILE 51 Ca 0.00 -1.18 0.30 0.00 -1.37 0.00 0.00 64.86 62.61 1jxs h ILE 51 Cb 0.29 0.38 -0.04 0.00 0.47 0.00 0.00 36.82 37.92 1jxs h ILE 51 CO 0.00 0.06 1.20 -0.09 -3.07 0.00 0.00 178.15 176.25 1jxs h ARG 52 N -1.00 0.00 0.05 2.19 2.43 -1.59 0.32 114.38 116.78 1jxs h ARG 52 Ca -0.04 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1jxs h ARG 52 Cb 0.48 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.03 1jxs h ARG 52 CO -0.02 0.00 -0.02 1.25 -1.51 0.00 0.00 179.97 179.66 1jxs h HIS 53 N 0.00 -0.06 -0.56 2.20 2.76 -1.67 -2.82 115.15 115.01 1jxs h HIS 53 Ca 0.49 -0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.64 1jxs h HIS 53 Cb 2.89 0.02 -0.03 0.00 1.55 0.00 0.00 27.41 31.84 1jxs h HIS 53 CO 0.00 0.12 0.26 -2.95 -1.30 0.00 0.00 177.93 174.06 1jxs h ASN 54 N -0.23 0.71 -1.17 3.26 -1.07 -0.53 -1.09 115.58 115.46 1jxs h ASN 54 Ca -0.01 -0.07 0.34 0.00 0.07 0.00 0.00 56.30 56.63 1jxs h ASN 54 Cb 0.21 -0.18 -0.05 0.00 -2.07 0.00 0.00 38.32 36.23 1jxs h ASN 54 CO 0.01 0.61 0.95 -0.07 0.07 0.00 0.00 177.43 179.01 1jxs h LEU 55 N 0.79 0.00 0.00 6.14 3.38 -1.40 -0.33 115.31 123.88 1jxs h LEU 55 Ca 0.19 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.82 1jxs h LEU 55 Cb 0.10 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.80 1jxs h LEU 55 CO -0.02 0.00 -1.85 -0.24 0.09 0.00 0.00 178.44 176.42 1jxs n SER 56 N -3.89 1.90 -0.15 -0.43 2.88 -0.46 -4.45 113.62 109.02 1jxs n SER 56 Ca 0.25 0.38 -0.10 0.00 -1.33 0.00 0.00 58.87 58.08 1jxs n SER 56 Cb 1.33 -0.90 -0.08 0.00 -0.75 0.00 0.00 64.21 63.81 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 -1.47 -8.42 2.46 5.85 -0.58 -3.18 115.31 108.97 1jxs h LEU 57 Ca -0.51 0.20 -0.60 0.00 0.84 0.00 0.00 57.88 57.80 1jxs h LEU 57 Cb 1.45 0.61 -0.12 0.00 0.37 0.00 0.00 40.66 42.97 1jxs h LEU 57 CO -0.31 -0.28 0.65 0.20 -0.34 0.00 0.00 178.44 178.36 1jxs s ASN 58 N -4.58 6.29 0.00 1.25 0.01 -0.28 -4.86 114.94 112.76 1jxs s ASN 58 Ca -0.10 -0.49 0.05 0.00 -0.71 0.00 0.00 52.86 51.61 1jxs s ASN 58 Cb 0.07 -2.45 0.32 0.00 0.41 0.00 0.00 41.25 39.60 1jxs s ASN 58 CO 0.47 -1.37 0.91 0.54 -1.51 0.00 0.00 177.10 176.14 1jxs n ARG 59 N 7.81 0.66 -0.25 -0.60 1.74 -1.20 -3.76 116.66 121.05 1jxs n ARG 59 Ca 0.01 0.00 0.32 0.00 -0.77 0.00 0.00 57.85 57.41 1jxs n ARG 59 Cb 0.47 -1.13 0.64 0.00 -1.02 0.00 0.00 32.46 31.42 1jxs n ARG 59 CO 0.00 0.00 0.00 1.88 -1.52 0.00 0.00 177.63 177.99 1jxs h TYR 60 N 0.00 0.00 -3.67 -1.55 0.05 -1.89 -3.28 116.97 106.62 1jxs h TYR 60 Ca 0.00 0.00 -0.70 0.00 0.05 0.00 0.00 58.73 58.08 1jxs h TYR 60 Cb 0.00 0.00 -0.29 0.00 1.01 0.00 0.00 36.73 37.45 1jxs h TYR 60 CO 0.00 0.00 -0.61 -0.06 -1.05 0.00 0.00 178.16 176.44 1jxs s PHE 61 N -4.65 3.25 -0.96 4.88 0.40 -1.25 -3.10 117.98 116.56 1jxs s PHE 61 Ca -0.04 -1.41 -0.24 0.00 -0.60 0.00 0.00 56.93 54.64 1jxs s PHE 61 Cb 0.18 -2.28 0.04 0.00 0.51 0.00 0.00 43.02 41.48 1jxs s PHE 61 CO 0.63 -0.72 1.42 0.96 0.70 0.00 0.00 175.22 178.20 1jxs s ILE 62 N 1.41 3.87 -0.02 0.64 -4.36 -0.01 -4.67 121.20 118.05 1jxs s ILE 62 Ca -0.02 -0.51 -0.30 0.00 -0.26 0.00 0.00 60.65 59.57 1jxs s ILE 62 Cb -0.19 -5.02 -0.03 0.00 1.25 0.00 0.00 42.46 38.46 1jxs s ILE 62 CO 0.03 -1.91 1.13 -1.59 0.24 0.00 0.00 174.94 172.84 1jxs s LYS 63 N 5.16 4.42 -0.17 0.37 0.00 -1.25 -3.24 119.74 125.03 1jxs s LYS 63 Ca 0.44 1.61 -0.09 0.00 0.00 0.00 0.00 55.97 57.93 1jxs s LYS 63 Cb -0.02 -3.49 -0.05 0.00 0.00 0.00 0.00 37.83 34.28 1jxs s LYS 63 CO -0.05 -0.31 0.13 0.14 0.00 0.00 0.00 175.35 175.26 1jxs s VAL 64 N 1.68 5.40 -0.12 1.79 -7.23 -1.17 -4.88 120.40 115.88 1jxs s VAL 64 Ca 0.55 0.18 -0.27 0.00 -1.81 0.00 0.00 61.98 60.62 1jxs s VAL 64 Cb -0.24 -3.43 -0.27 0.00 0.56 0.00 0.00 36.38 33.01 1jxs s VAL 64 CO 0.24 0.50 0.82 1.55 -0.31 0.00 0.00 175.10 177.90 1jxs h PRO 65 N 6.14 0.06 -1.39 4.82 0.13 -1.94 -3.31 132.00 136.51 1jxs h PRO 65 Ca -0.45 -0.10 0.27 0.00 -0.87 0.00 0.00 66.00 64.85 1jxs h PRO 65 Cb 1.18 0.04 -0.19 0.00 0.13 0.00 0.00 31.00 32.15 1jxs h PRO 65 CO 0.70 1.03 0.85 -0.98 -0.23 0.00 0.00 178.00 179.36 1jxs s ARG 66 N -2.36 0.25 0.00 0.86 1.70 -1.26 -4.72 118.95 113.42 1jxs s ARG 66 Ca -0.18 -0.09 0.00 0.00 -0.47 0.00 0.00 55.73 54.99 1jxs s ARG 66 Cb -0.02 0.12 0.00 0.00 -0.57 0.00 0.00 34.95 34.48 1jxs s ARG 66 CO 0.72 -0.11 0.00 0.45 -1.08 0.00 0.00 175.30 175.28 1jxs n SER 67 N -0.08 0.00 -2.47 -2.89 2.88 -1.26 -4.97 113.62 104.83 1jxs n SER 67 Ca 0.01 0.00 -0.16 0.00 -1.33 0.00 0.00 58.87 57.40 1jxs n SER 67 Cb 0.58 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 64.06 1jxs n SER 67 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 1jxs n GLN 68 N 0.00 2.60 -2.82 -1.46 7.27 -1.26 -4.83 117.38 116.88 1jxs n GLN 68 Ca 0.00 -3.90 -0.11 0.00 0.07 0.00 0.00 57.00 53.06 1jxs n GLN 68 Cb 0.00 -1.89 0.04 0.00 2.41 0.00 0.00 30.24 30.79 1jxs n GLN 68 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52 1jxs n GLU 69 N -0.50 1.09 -0.18 3.69 1.02 -1.26 -4.97 120.64 119.54 1jxs n GLU 69 Ca 0.26 -2.86 -0.07 0.00 -0.02 0.00 0.00 57.16 54.47 1jxs n GLU 69 Cb 0.82 -1.12 -0.01 0.00 -0.02 0.00 0.00 31.44 31.11 1jxs n GLU 69 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1jxs h GLU 70 N 2.81 -0.21 -6.35 3.49 5.08 -1.98 -3.30 114.58 114.12 1jxs h GLU 70 Ca -0.08 0.01 -0.54 0.00 -1.00 0.00 0.00 59.36 57.76 1jxs h GLU 70 Cb 1.14 0.05 -0.07 0.00 0.50 0.00 0.00 28.75 30.36 1jxs h GLU 70 CO 0.35 -0.14 1.09 -1.25 -1.00 0.00 0.00 179.01 178.06 1jxs s PRO 71 N -5.95 3.18 0.00 2.33 0.04 -1.26 -4.87 135.00 128.46 1jxs s PRO 71 Ca -0.14 -0.02 0.00 0.00 0.04 0.00 0.00 61.00 60.88 1jxs s PRO 71 Cb 0.14 -4.18 0.00 0.00 0.04 0.00 0.00 34.50 30.50 1jxs s PRO 71 CO 0.68 -2.14 0.00 0.41 0.04 0.00 0.00 177.00 175.99 1jxs n GLY 72 N 5.37 -1.21 0.00 0.56 0.00 -1.25 -5.16 105.19 103.50 1jxs n GLY 72 Ca 0.07 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.17 1jxs n GLY 72 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1jxs n LYS 73 N 0.00 1.21 0.03 1.61 5.02 -1.26 -5.01 118.16 119.76 1jxs n LYS 73 Ca 0.00 0.00 -0.19 0.00 -2.02 0.00 0.00 58.31 56.10 1jxs n LYS 73 Cb 0.00 0.00 -0.14 0.00 -0.02 0.00 0.00 35.03 34.87 1jxs n LYS 73 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 1jxs h GLY 74 N 0.00 0.30 -2.26 0.72 0.00 -1.95 -3.49 103.07 96.39 1jxs h GLY 74 Ca 0.00 -0.76 -0.08 0.00 0.00 0.00 0.00 47.33 46.49 1jxs h GLY 74 CO 0.00 0.67 -0.17 -0.56 0.00 0.00 0.00 176.54 176.47 1jxs s SER 75 N -6.89 -0.04 -0.20 0.19 0.01 -1.26 -4.63 113.70 100.87 1jxs s SER 75 Ca -0.15 -0.99 -0.09 0.00 1.31 0.00 0.00 55.95 56.03 1jxs s SER 75 Cb 0.01 0.57 0.08 0.00 0.21 0.00 0.00 66.02 66.88 1jxs s SER 75 CO 0.81 -1.11 0.46 0.12 0.41 0.00 0.00 173.24 173.92 1jxs s PHE 76 N -4.01 -0.77 -0.79 2.43 2.19 -1.25 -4.57 117.98 111.22 1jxs s PHE 76 Ca 0.24 1.53 -0.24 0.00 0.33 0.00 0.00 56.93 58.80 1jxs s PHE 76 Cb 0.00 0.35 0.06 0.00 -1.31 0.00 0.00 43.02 42.13 1jxs s PHE 76 CO 0.10 -0.43 1.17 -1.58 1.83 0.00 0.00 175.22 176.31 1jxs s TRP 77 N 1.96 2.58 -0.09 10.12 0.52 -0.84 -3.02 118.94 130.17 1jxs s TRP 77 Ca -0.07 -0.56 -0.15 0.00 0.02 0.00 0.00 56.10 55.35 1jxs s TRP 77 Cb -0.10 -4.47 -0.05 0.00 -1.15 0.00 0.00 33.47 27.70 1jxs s TRP 77 CO -0.14 -1.82 0.37 0.50 0.02 0.00 0.00 176.95 175.88 1jxs s ARG 78 N 4.57 4.09 -0.13 4.98 3.52 -1.20 -2.69 118.95 132.10 1jxs s ARG 78 Ca 0.32 0.27 -0.29 0.00 -0.13 0.00 0.00 55.73 55.90 1jxs s ARG 78 Cb -0.09 -3.34 -0.01 0.00 -1.56 0.00 0.00 34.95 29.95 1jxs s ARG 78 CO 0.05 0.42 1.07 -1.50 -0.81 0.00 0.00 175.30 174.54 1jxs s ILE 79 N -0.17 4.61 0.97 4.11 1.10 -0.97 -0.83 121.20 130.03 1jxs s ILE 79 Ca 0.21 1.91 -0.15 0.00 -0.51 0.00 0.00 60.65 62.11 1jxs s ILE 79 Cb -0.15 -4.23 0.19 0.00 0.15 0.00 0.00 42.46 38.42 1jxs s ILE 79 CO 0.09 -0.05 1.24 -1.81 -2.11 0.00 0.00 174.94 172.30 1jxs s ASP 80 N 1.26 3.04 0.17 4.50 1.11 -1.18 -4.88 116.67 120.69 1jxs s ASP 80 Ca 0.49 0.52 0.24 0.00 0.18 0.00 0.00 52.55 53.98 1jxs s ASP 80 Cb -0.19 -0.75 0.91 0.00 1.07 0.00 0.00 42.92 43.96 1jxs s ASP 80 CO 0.16 -2.80 1.73 -0.81 1.18 0.00 0.00 175.17 174.63 1jxs n PRO 81 N -3.86 0.16 -0.41 8.23 -0.04 -1.26 -2.49 135.00 135.33 1jxs n PRO 81 Ca 0.12 0.26 0.06 0.00 -0.04 0.00 0.00 63.50 63.91 1jxs n PRO 81 Cb 0.60 -1.74 0.20 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 -1.70 3.12 -0.69 0.55 0.00 -1.26 -4.74 120.51 115.79 1jxs n ALA 82 Ca 0.04 -2.74 0.00 0.00 0.00 0.00 0.00 53.44 50.75 1jxs n ALA 82 Cb 0.31 -0.55 0.00 0.00 0.00 0.00 0.00 19.45 19.20 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 -1.04 0.00 -0.13 0.00 7.64 -1.04 -4.68 113.62 114.37 1jxs n SER 83 Ca 0.22 0.00 0.12 0.00 1.01 0.00 0.00 58.87 60.22 1jxs n SER 83 Cb 0.81 -0.05 0.22 0.00 -1.01 0.00 0.00 64.21 64.18 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 -1.59 -0.03 -0.41 1.43 2.13 -1.24 0.03 120.64 120.97 1jxs n GLU 84 Ca 0.00 0.58 -0.09 0.00 0.66 0.00 0.00 57.16 58.31 1jxs n GLU 84 Cb 0.00 -1.02 -0.07 0.00 0.27 0.00 0.00 31.44 30.62 1jxs n GLU 84 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1jxs n SER 85 N -4.01 -0.96 -0.07 4.31 2.88 -1.26 -1.60 113.62 112.90 1jxs n SER 85 Ca 0.15 1.74 -0.06 0.00 -1.33 0.00 0.00 58.87 59.36 1jxs n SER 85 Cb 0.50 -0.26 -0.03 0.00 -0.75 0.00 0.00 64.21 63.67 1jxs n SER 85 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 1jxs h LYS 86 N 0.00 0.00 -0.96 -1.46 1.63 -0.69 -3.32 116.57 111.77 1jxs h LYS 86 Ca 0.19 0.00 0.29 0.00 -0.85 0.00 0.00 60.65 60.28 1jxs h LYS 86 Cb 0.44 0.00 -0.15 0.00 -0.60 0.00 0.00 32.23 31.92 1jxs h LYS 86 CO -0.93 0.15 0.44 1.37 -3.45 0.00 0.00 179.45 177.03 1jxs h LEU 87 N -1.00 0.31 -0.43 5.20 -0.00 -1.62 0.96 115.31 118.73 1jxs h LEU 87 Ca -0.04 0.19 0.07 0.00 -0.00 0.00 0.00 57.88 58.10 1jxs h LEU 87 Cb 0.53 0.19 -0.06 0.00 -0.00 0.00 0.00 40.66 41.32 1jxs h LEU 87 CO -0.03 -0.15 0.07 -0.29 -0.00 0.00 0.00 178.44 178.05 1jxs h ILE 88 N 0.28 0.75 0.00 0.15 6.09 -1.48 0.40 117.51 123.71 1jxs h ILE 88 Ca 0.67 -0.07 -0.03 0.00 -1.37 0.00 0.00 64.86 64.06 1jxs h ILE 88 Cb 1.46 0.54 -0.00 0.00 0.47 0.00 0.00 36.82 39.28 1jxs h ILE 88 CO -0.63 0.04 -0.13 -0.08 -3.07 0.00 0.00 178.15 174.27 1jxs h GLU 89 N 0.20 0.00 0.00 2.19 4.81 0.79 0.19 114.58 122.76 1jxs h GLU 89 Ca 0.21 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.36 1jxs h GLU 89 Cb 0.27 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.64 1jxs h GLU 89 CO -0.29 0.13 -0.39 0.37 -0.73 0.00 0.00 179.01 178.11 1jxs h GLN 90 N 0.00 0.00 -0.01 1.92 4.15 0.11 -3.14 115.11 118.14 1jxs h GLN 90 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1jxs h GLN 90 Cb 0.27 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.96 1jxs h GLN 90 CO 0.02 0.39 -0.52 0.00 -1.93 0.00 0.00 178.83 176.78 1jxs n ALA 91 N -2.21 3.65 0.31 3.38 0.00 0.38 -4.22 120.51 121.81 1jxs n ALA 91 Ca 0.02 -0.62 0.11 0.00 0.00 0.00 0.00 53.44 52.96 1jxs n ALA 91 Cb 0.66 -0.74 -0.04 0.00 0.00 0.00 0.00 19.45 19.32 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 -0.25 0.35 -2.39 0.00 3.01 0.57 -4.53 117.46 114.23 1jxs n PHE 92 Ca 0.08 0.10 -0.43 0.00 1.01 0.00 0.00 57.45 58.22 1jxs n PHE 92 Cb 0.42 -0.56 0.00 0.00 -0.01 0.00 0.00 39.48 39.34 1jxs n PHE 92 CO 0.00 0.00 0.00 -2.13 1.01 0.00 0.00 176.76 175.64 1jxs n ARG 93 N -2.20 3.62 -0.54 -1.08 0.63 -1.19 -5.00 116.66 110.89 1jxs n ARG 93 Ca -0.00 -3.57 -0.29 0.00 -0.92 0.00 0.00 57.85 53.07 1jxs n ARG 93 Cb 0.50 -2.93 0.23 0.00 0.45 0.00 0.00 32.46 30.71 1jxs n ARG 93 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 1jxs n LYS 94 N 3.96 -1.85 -4.71 -0.14 4.76 -1.26 -5.04 118.16 113.88 1jxs n LYS 94 Ca 0.39 -0.50 -0.33 0.00 -2.87 0.00 0.00 58.31 55.00 1jxs n LYS 94 Cb 0.37 -2.19 -0.07 0.00 -1.84 0.00 0.00 35.03 31.30 1jxs n LYS 94 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 1jxs s ARG 95 N -4.39 2.22 0.03 1.97 0.52 -1.26 -5.15 118.95 112.89 1jxs s ARG 95 Ca 0.67 -2.41 0.04 0.00 -0.52 0.00 0.00 55.73 53.52 1jxs s ARG 95 Cb -0.24 -1.56 -0.02 0.00 0.52 0.00 0.00 34.95 33.65 1jxs s ARG 95 CO 0.63 -0.42 -0.13 1.03 0.02 0.00 0.00 175.30 176.44 1jxs s ARG 96 N -3.93 0.88 -0.10 3.54 0.52 -1.26 -5.06 118.95 113.54 1jxs s ARG 96 Ca 0.04 -0.71 -0.21 0.00 -0.52 0.00 0.00 55.73 54.34 1jxs s ARG 96 Cb 0.00 -0.86 -0.18 0.00 0.52 0.00 0.00 34.95 34.43 1jxs s ARG 96 CO 0.03 0.21 0.66 -1.00 0.02 0.00 0.00 175.30 175.22 1jxs h PRO 97 N 5.01 -0.05 0.00 3.54 0.13 -2.07 -3.58 132.00 134.98 1jxs h PRO 97 Ca -0.37 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 1jxs h PRO 97 Cb 1.18 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1jxs h PRO 97 CO 0.44 0.57 0.00 -2.13 -0.23 0.00 0.00 178.00 176.65