#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jxs s SER 2 N 0.00 5.39 -0.12 -2.24 0.01 -1.26 -4.67 113.70 110.81 1jxs s SER 2 Ca 0.00 -1.53 -0.01 0.00 1.31 0.00 0.00 55.95 55.72 1jxs s SER 2 Cb 0.00 -1.89 -0.04 0.00 0.21 0.00 0.00 66.02 64.30 1jxs s SER 2 CO 0.00 -0.46 0.32 1.17 0.41 0.00 0.00 173.24 174.68 1jxs n LYS 3 N 4.78 0.00 -2.92 12.44 4.81 -1.26 -4.79 118.16 131.22 1jxs n LYS 3 Ca -0.09 0.00 -0.39 0.00 -0.87 0.00 0.00 58.31 56.96 1jxs n LYS 3 Cb 0.43 -0.18 -0.06 0.00 0.02 0.00 0.00 35.03 35.24 1jxs n LYS 3 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 1jxs s PRO 4 N 1.16 4.58 0.11 1.64 0.04 -1.26 -5.03 135.00 136.24 1jxs s PRO 4 Ca 0.16 1.21 -0.30 0.00 0.04 0.00 0.00 61.00 62.11 1jxs s PRO 4 Cb -0.10 -3.12 -0.06 0.00 0.04 0.00 0.00 34.50 31.25 1jxs s PRO 4 CO 0.07 0.48 1.06 -1.25 0.04 0.00 0.00 177.00 177.40 1jxs s PRO 5 N -1.45 4.59 0.00 0.56 0.04 -1.26 -5.05 135.00 132.43 1jxs s PRO 5 Ca 0.40 1.61 0.00 0.00 0.04 0.00 0.00 61.00 63.05 1jxs s PRO 5 Cb -0.22 -3.35 0.00 0.00 0.04 0.00 0.00 34.50 30.98 1jxs s PRO 5 CO 0.26 0.04 0.00 0.66 0.04 0.00 0.00 177.00 178.00 1jxs n TYR 6 N 2.99 -0.59 -2.74 0.56 4.01 -1.26 -5.10 117.16 115.03 1jxs n TYR 6 Ca 0.04 0.00 -0.35 0.00 -0.16 0.00 0.00 57.90 57.43 1jxs n TYR 6 Cb 0.48 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.45 1jxs n TYR 6 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 1jxs s SER 7 N -0.98 7.01 0.44 7.72 0.01 -1.26 -4.92 113.70 121.72 1jxs s SER 7 Ca 0.00 1.82 0.22 0.00 1.31 0.00 0.00 55.95 59.30 1jxs s SER 7 Cb 0.00 -2.56 0.98 0.00 0.21 0.00 0.00 66.02 64.64 1jxs s SER 7 CO 0.00 -0.31 1.87 1.88 0.41 0.00 0.00 173.24 177.09 1jxs h TYR 8 N 2.45 0.00 -0.01 2.43 0.05 -1.98 -1.55 116.97 118.36 1jxs h TYR 8 Ca -0.48 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.30 1jxs h TYR 8 Cb 1.19 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.93 1jxs h TYR 8 CO 0.61 0.26 -0.18 0.00 -1.05 0.00 0.00 178.16 177.80 1jxs n ALA 9 N -2.28 2.91 -0.11 3.88 0.00 -1.26 -3.95 120.51 119.70 1jxs n ALA 9 Ca -0.01 -0.37 -0.13 0.00 0.00 0.00 0.00 53.44 52.94 1jxs n ALA 9 Cb 0.40 -1.20 -0.14 0.00 0.00 0.00 0.00 19.45 18.51 1jxs n ALA 9 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1jxs n GLN 10 N -0.64 0.73 0.00 0.00 7.27 -0.65 -4.11 117.38 119.99 1jxs n GLN 10 Ca 0.14 0.06 0.05 0.00 0.07 0.00 0.00 57.00 57.32 1jxs n GLN 10 Cb 0.32 -1.50 0.23 0.00 2.41 0.00 0.00 30.24 31.71 1jxs n GLN 10 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 1jxs n LEU 11 N -2.95 0.00 -0.13 1.69 4.77 -0.79 -2.85 117.00 116.73 1jxs n LEU 11 Ca -0.37 0.26 -0.27 0.00 -0.03 0.00 0.00 56.01 55.60 1jxs n LEU 11 Cb 1.06 -0.26 -0.09 0.00 -2.33 0.00 0.00 43.42 41.79 1jxs n LEU 11 CO 0.34 -0.18 -1.38 -0.38 -1.33 0.00 0.00 177.39 174.46 1jxs n ILE 12 N -1.26 1.40 -0.02 -0.08 5.41 -1.26 -4.32 119.36 119.23 1jxs n ILE 12 Ca 0.05 -0.36 -0.01 0.00 1.00 0.00 0.00 62.75 63.42 1jxs n ILE 12 Cb 0.07 -1.83 -0.01 0.00 -0.71 0.00 0.00 39.64 37.16 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 -0.89 0.00 -0.85 1.39 2.07 -1.68 0.28 116.25 116.58 1jxs h VAL 13 Ca -0.65 0.00 0.34 0.00 0.82 0.00 0.00 66.70 67.22 1jxs h VAL 13 Cb 1.58 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 31.21 1jxs h VAL 13 CO -0.38 0.00 0.48 0.00 0.02 0.00 0.00 177.57 177.68 1jxs n GLN 14 N -3.04 -0.05 0.09 1.57 10.64 -1.18 0.49 117.38 125.91 1jxs n GLN 14 Ca -0.00 1.09 -0.13 0.00 -1.83 0.00 0.00 57.00 56.13 1jxs n GLN 14 Cb 0.03 -1.99 -0.08 0.00 -0.86 0.00 0.00 30.24 27.33 1jxs n GLN 14 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1jxs h ALA 15 N 1.55 -0.25 -0.21 2.61 0.00 -0.66 0.22 119.26 122.52 1jxs h ALA 15 Ca 0.69 -0.19 0.06 0.00 0.00 0.00 0.00 54.91 55.46 1jxs h ALA 15 Cb 1.88 0.10 -0.06 0.00 0.00 0.00 0.00 17.79 19.70 1jxs h ALA 15 CO -0.58 -0.45 -0.23 0.82 0.00 0.00 0.00 179.25 178.82 1jxs h ILE 16 N -0.65 0.43 0.00 0.00 5.03 0.79 0.30 117.51 123.41 1jxs h ILE 16 Ca -0.03 0.00 -0.02 0.00 -0.12 0.00 0.00 64.86 64.70 1jxs h ILE 16 Cb 0.47 0.43 -0.00 0.00 -3.03 0.00 0.00 36.82 34.68 1jxs h ILE 16 CO 0.04 0.00 -0.08 0.71 -0.68 0.00 0.00 178.15 178.14 1jxs h THR 17 N -0.25 0.30 0.00 -0.27 1.35 -1.30 -1.76 112.91 110.97 1jxs h THR 17 Ca 0.13 -0.53 0.00 0.00 -0.55 0.00 0.00 66.41 65.45 1jxs h THR 17 Cb 0.44 1.41 0.00 0.00 -1.73 0.00 0.00 68.15 68.27 1jxs h THR 17 CO -0.35 0.08 -0.29 0.24 -0.25 0.00 0.00 175.52 174.95 1jxs h MET 18 N 0.00 0.00 -6.83 4.72 2.86 0.26 -3.45 114.93 112.49 1jxs h MET 18 Ca -0.00 0.00 -0.49 0.00 -2.06 0.00 0.00 59.70 57.15 1jxs h MET 18 Cb 0.40 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.07 1jxs h MET 18 CO 0.01 0.00 0.42 0.00 1.06 0.00 0.00 176.91 178.40 1jxs s ALA 19 N -3.18 3.31 -2.00 6.32 0.00 0.72 -4.91 121.76 122.03 1jxs s ALA 19 Ca 0.07 0.75 0.06 0.00 0.00 0.00 0.00 51.96 52.85 1jxs s ALA 19 Cb 0.11 -3.27 0.39 0.00 0.00 0.00 0.00 23.12 20.34 1jxs s ALA 19 CO 0.67 -0.04 1.16 -0.35 0.00 0.00 0.00 175.76 177.20 1jxs n PRO 20 N 0.98 0.90 0.00 0.00 -0.04 -1.26 -3.00 135.00 132.59 1jxs n PRO 20 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1jxs n PRO 20 Cb 0.47 -1.11 0.00 0.00 -0.04 0.00 0.00 33.50 32.81 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 -0.61 0.55 0.00 3.54 -0.08 -1.26 -4.98 116.55 113.71 1jxs n ASP 21 Ca 0.05 -1.06 0.00 0.00 -1.51 0.00 0.00 54.79 52.27 1jxs n ASP 21 Cb 0.02 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.48 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 -0.03 0.00 -4.17 -0.67 4.81 -1.16 -4.96 118.16 111.98 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 0.16 -2.07 -0.11 0.00 0.02 0.00 0.00 35.03 33.03 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 -0.03 0.82 0.20 1.64 -0.21 -1.26 -2.92 119.66 117.89 1jxs s GLN 23 Ca 0.00 -1.12 -0.22 0.00 0.02 0.00 0.00 55.36 54.05 1jxs s GLN 23 Cb 0.00 -0.52 0.05 0.00 1.00 0.00 0.00 33.01 33.53 1jxs s GLN 23 CO 0.00 0.08 0.63 -0.48 -2.12 0.00 0.00 175.29 173.40 1jxs s LEU 24 N -2.34 -0.38 0.70 2.90 -0.00 -0.77 -4.80 118.68 114.00 1jxs s LEU 24 Ca 0.04 -0.27 -0.11 0.00 -0.00 0.00 0.00 54.13 53.79 1jxs s LEU 24 Cb -0.04 2.58 0.01 0.00 -0.00 0.00 0.00 46.19 48.74 1jxs s LEU 24 CO 0.00 -1.11 1.08 0.28 -0.00 0.00 0.00 176.35 176.60 1jxs s THR 25 N -3.82 3.76 0.32 5.48 -1.32 -1.26 -0.71 115.64 118.08 1jxs s THR 25 Ca 0.05 0.57 0.07 0.00 -1.21 0.00 0.00 61.69 61.18 1jxs s THR 25 Cb -0.03 -3.51 0.31 0.00 -1.51 0.00 0.00 72.50 67.76 1jxs s THR 25 CO -0.05 -0.75 1.79 0.25 -2.21 0.00 0.00 174.62 173.65 1jxs h LEU 26 N -0.64 0.74 -0.94 9.08 6.46 -1.93 0.30 115.31 128.38 1jxs h LEU 26 Ca -0.45 0.09 0.25 0.00 -0.12 0.00 0.00 57.88 57.65 1jxs h LEU 26 Cb 1.24 -0.05 -0.13 0.00 -0.73 0.00 0.00 40.66 40.99 1jxs h LEU 26 CO 0.62 0.27 0.44 0.78 -0.62 0.00 0.00 178.44 179.93 1jxs h ASN 27 N 0.73 0.38 -0.12 1.25 2.35 -1.94 -2.84 115.58 115.39 1jxs h ASN 27 Ca 0.56 0.17 0.01 0.00 -0.55 0.00 0.00 56.30 56.49 1jxs h ASN 27 Cb 0.93 0.14 -0.01 0.00 0.05 0.00 0.00 38.32 39.43 1jxs h ASN 27 CO -0.35 -0.04 -0.07 0.61 -1.65 0.00 0.00 177.43 175.92 1jxs n GLY 28 N -1.33 -1.39 0.22 2.83 0.00 0.10 0.22 105.19 105.85 1jxs n GLY 28 Ca 0.25 0.35 -0.01 0.00 0.00 0.00 0.00 46.02 46.61 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 0.47 0.00 -0.61 5.03 -1.70 0.62 117.51 121.32 1jxs h ILE 29 Ca 0.02 -0.02 0.00 0.00 -0.12 0.00 0.00 64.86 64.74 1jxs h ILE 29 Cb 0.05 0.41 0.00 0.00 -3.03 0.00 0.00 36.82 34.26 1jxs h ILE 29 CO -0.11 0.01 0.00 -1.22 -0.68 0.00 0.00 178.15 176.14 1jxs n TYR 30 N -5.34 0.00 0.05 1.37 4.01 0.59 -1.51 117.16 116.34 1jxs n TYR 30 Ca 0.07 0.00 0.01 0.00 -0.16 0.00 0.00 57.90 57.82 1jxs n TYR 30 Cb 0.32 -0.40 0.03 0.00 -0.31 0.00 0.00 39.34 38.98 1jxs n TYR 30 CO 0.00 0.00 0.00 2.41 -0.46 0.00 0.00 176.86 178.81 1jxs n THR 31 N -1.99 1.48 -0.05 -0.72 -1.04 0.02 -2.15 114.28 109.83 1jxs n THR 31 Ca 0.00 0.37 -0.12 0.00 -2.04 0.00 0.00 64.05 62.26 1jxs n THR 31 Cb 0.00 -1.35 0.00 0.00 -1.82 0.00 0.00 70.33 67.17 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 0.94 0.00 -1.42 6.17 0.13 -3.06 115.15 117.91 1jxs h HIS 32 Ca 0.00 -0.32 0.00 0.00 0.71 0.00 0.00 60.37 60.76 1jxs h HIS 32 Cb 0.02 -0.18 0.00 0.00 2.52 0.00 0.00 27.41 29.77 1jxs h HIS 32 CO 0.00 1.11 -0.30 0.82 0.71 0.00 0.00 177.93 180.28 1jxs h ILE 33 N 0.58 0.00 -1.31 6.26 5.03 -1.35 -2.54 117.51 124.18 1jxs h ILE 33 Ca 0.02 -0.97 0.38 0.00 -0.12 0.00 0.00 64.86 64.17 1jxs h ILE 33 Cb 1.10 0.00 -0.05 0.00 -3.03 0.00 0.00 36.82 34.84 1jxs h ILE 33 CO 0.11 0.00 1.21 0.71 -0.68 0.00 0.00 178.15 179.50 1jxs h THR 34 N -0.97 0.05 0.07 -0.27 1.35 -1.72 0.85 112.91 112.28 1jxs h THR 34 Ca 0.00 0.00 -0.35 0.00 -0.55 0.00 0.00 66.41 65.51 1jxs h THR 34 Cb 0.30 0.07 -0.04 0.00 -1.73 0.00 0.00 68.15 66.75 1jxs h THR 34 CO 0.00 0.00 -2.04 1.17 -0.25 0.00 0.00 175.52 174.40 1jxs n LYS 35 N -3.55 0.71 0.00 4.72 0.00 -1.16 -4.82 118.16 114.06 1jxs n LYS 35 Ca 0.29 0.23 0.00 0.00 0.00 0.00 0.00 58.31 58.83 1jxs n LYS 35 Cb 1.61 -1.68 0.00 0.00 0.00 0.00 0.00 35.03 34.96 1jxs n LYS 35 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1jxs n ASN 36 N -3.29 0.00 -3.92 3.14 3.02 0.29 -4.99 115.26 109.50 1jxs n ASN 36 Ca -0.31 0.00 -0.25 0.00 -0.03 0.00 0.00 54.58 53.99 1jxs n ASN 36 Cb 1.05 0.00 0.11 0.00 -0.61 0.00 0.00 39.78 40.33 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 -0.82 -1.67 0.10 3.10 4.01 -0.61 -4.83 117.16 116.43 1jxs n TYR 37 Ca 0.00 0.29 -0.01 0.00 -0.16 0.00 0.00 57.90 58.02 1jxs n TYR 37 Cb 0.00 -1.43 0.26 0.00 -0.31 0.00 0.00 39.34 37.86 1jxs n TYR 37 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1jxs h PRO 38 N -2.00 0.24 0.00 -0.72 0.13 -1.83 -3.41 132.00 124.42 1jxs h PRO 38 Ca -0.34 -0.10 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1jxs h PRO 38 Cb 1.01 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.13 1jxs h PRO 38 CO 0.22 0.56 0.00 2.48 -0.23 0.00 0.00 178.00 181.03 1jxs n TYR 39 N -4.08 0.00 0.00 1.56 0.18 -1.26 -4.90 117.16 108.66 1jxs n TYR 39 Ca -0.01 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.77 1jxs n TYR 39 Cb 0.43 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.39 1jxs n TYR 39 CO 0.00 0.00 0.00 0.66 -2.08 0.00 0.00 176.86 175.44 1jxs n TYR 40 N -0.52 0.00 0.01 -3.48 4.02 -1.26 -4.67 117.16 111.25 1jxs n TYR 40 Ca 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 57.90 57.85 1jxs n TYR 40 Cb 0.00 0.01 0.18 0.00 -0.02 0.00 0.00 39.34 39.51 1jxs n TYR 40 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 176.86 175.76 1jxs h ARG 41 N 0.00 0.50 0.20 -0.72 2.43 -1.92 -3.29 114.38 111.58 1jxs h ARG 41 Ca 0.00 -0.20 -0.01 0.00 -0.81 0.00 0.00 59.98 58.96 1jxs h ARG 41 Cb 0.04 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.57 1jxs h ARG 41 CO 0.00 0.74 -0.10 1.15 -1.51 0.00 0.00 179.97 180.25 1jxs h THR 42 N 0.44 0.00 -3.26 0.20 2.02 -1.98 -3.45 112.91 106.88 1jxs h THR 42 Ca 0.06 -0.10 -0.48 0.00 0.77 0.00 0.00 66.41 66.66 1jxs h THR 42 Cb 0.71 0.00 0.03 0.00 -1.74 0.00 0.00 68.15 67.16 1jxs h THR 42 CO 0.05 0.00 0.02 0.00 0.37 0.00 0.00 175.52 175.97 1jxs s ALA 43 N -3.55 3.52 -0.03 6.16 0.00 -1.24 -4.79 121.76 121.82 1jxs s ALA 43 Ca -0.04 -0.74 -0.03 0.00 0.00 0.00 0.00 51.96 51.15 1jxs s ALA 43 Cb 0.00 -2.40 0.01 0.00 0.00 0.00 0.00 23.12 20.73 1jxs s ALA 43 CO 0.12 -0.38 0.06 -3.47 0.00 0.00 0.00 175.76 172.09 1jxs n ASP 44 N -2.19 -6.49 -1.21 0.00 -0.08 -1.26 -4.61 116.55 100.70 1jxs n ASP 44 Ca 0.00 1.66 0.12 0.00 -1.51 0.00 0.00 54.79 55.06 1jxs n ASP 44 Cb 0.56 -4.85 0.25 0.00 2.34 0.00 0.00 41.12 39.43 1jxs n ASP 44 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 1jxs n LYS 45 N 1.86 2.59 -0.10 -0.67 4.81 -1.26 -4.42 118.16 120.97 1jxs n LYS 45 Ca -0.11 -2.43 -0.21 0.00 -0.87 0.00 0.00 58.31 54.70 1jxs n LYS 45 Cb 0.17 -1.53 -0.12 0.00 0.02 0.00 0.00 35.03 33.57 1jxs n LYS 45 CO 0.00 0.00 0.00 0.78 1.17 0.00 0.00 177.40 179.35 1jxs h GLY 46 N 4.30 0.01 -1.03 3.14 0.00 -1.93 -3.35 103.07 104.21 1jxs h GLY 46 Ca 0.00 -0.03 0.42 0.00 0.00 0.00 0.00 47.33 47.72 1jxs h GLY 46 CO 0.00 0.03 0.87 0.11 0.00 0.00 0.00 176.54 177.55 1jxs h TRP 47 N -0.97 0.48 0.00 5.60 5.08 -1.93 -1.68 115.95 122.53 1jxs h TRP 47 Ca -0.30 0.02 0.00 0.00 1.08 0.00 0.00 58.89 59.69 1jxs h TRP 47 Cb 1.29 -0.12 0.00 0.00 -3.00 0.00 0.00 29.16 27.33 1jxs h TRP 47 CO 0.12 -0.15 0.00 1.04 -1.28 0.00 0.00 178.44 178.17 1jxs n GLN 48 N -4.61 0.00 0.00 0.12 6.02 -1.26 -1.55 117.38 116.10 1jxs n GLN 48 Ca 0.36 0.00 0.06 0.00 -0.01 0.00 0.00 57.00 57.40 1jxs n GLN 48 Cb 1.40 -0.32 0.29 0.00 1.02 0.00 0.00 30.24 32.63 1jxs n GLN 48 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1jxs n ASN 49 N 0.00 0.00 -0.17 1.08 4.13 -1.20 -2.75 115.26 116.35 1jxs n ASN 49 Ca 0.00 0.10 -0.10 0.00 1.68 0.00 0.00 54.58 56.26 1jxs n ASN 49 Cb 0.00 -0.27 0.00 0.00 -1.54 0.00 0.00 39.78 37.97 1jxs n ASN 49 CO 0.00 0.00 0.00 -1.28 0.28 0.00 0.00 177.26 176.26 1jxs h SER 50 N 0.00 0.86 0.02 6.41 0.87 -0.30 -2.30 113.55 119.12 1jxs h SER 50 Ca 0.00 -0.32 0.01 0.00 -1.23 0.00 0.00 61.79 60.24 1jxs h SER 50 Cb 0.10 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 61.82 1jxs h SER 50 CO 0.00 0.98 -0.05 0.40 -0.53 0.00 0.00 176.83 177.63 1jxs h ILE 51 N 0.72 0.89 -0.33 2.23 1.08 -1.10 0.57 117.51 121.57 1jxs h ILE 51 Ca 0.13 0.00 0.09 0.00 -0.39 0.00 0.00 64.86 64.70 1jxs h ILE 51 Cb 0.55 0.89 -0.01 0.00 -3.07 0.00 0.00 36.82 35.18 1jxs h ILE 51 CO 0.03 0.00 0.27 -0.09 -0.69 0.00 0.00 178.15 177.67 1jxs h ARG 52 N -0.09 0.00 -0.44 2.37 2.43 -1.71 0.23 114.38 117.16 1jxs h ARG 52 Ca 0.01 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.10 1jxs h ARG 52 Cb 0.10 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.63 1jxs h ARG 52 CO -0.03 0.00 -0.07 1.25 -1.51 0.00 0.00 179.97 179.61 1jxs h HIS 53 N 0.00 0.83 -0.35 2.20 2.76 -0.31 -1.21 115.15 119.07 1jxs h HIS 53 Ca 0.16 -0.14 0.00 0.00 -2.20 0.00 0.00 60.37 58.19 1jxs h HIS 53 Cb 0.69 -0.22 0.00 0.00 1.55 0.00 0.00 27.41 29.43 1jxs h HIS 53 CO 0.00 0.81 0.00 0.09 -1.30 0.00 0.00 177.93 177.53 1jxs n ASN 54 N -4.19 2.00 -0.00 3.26 5.03 0.72 -3.38 115.26 118.71 1jxs n ASN 54 Ca 0.02 -2.04 0.10 0.00 0.87 0.00 0.00 54.58 53.53 1jxs n ASN 54 Cb 0.34 -0.27 -0.12 0.00 -1.02 0.00 0.00 39.78 38.71 1jxs n ASN 54 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 1jxs n LEU 55 N 0.51 0.74 -0.13 3.41 7.99 -0.46 -3.48 117.00 125.57 1jxs n LEU 55 Ca 0.12 -0.35 -0.25 0.00 -0.01 0.00 0.00 56.01 55.51 1jxs n LEU 55 Cb 0.33 -0.01 -0.10 0.00 -0.11 0.00 0.00 43.42 43.53 1jxs n LEU 55 CO 0.09 0.18 -1.40 -0.24 -1.51 0.00 0.00 177.39 174.50 1jxs n SER 56 N -1.70 1.96 -0.08 -1.43 2.88 -1.19 -4.43 113.62 109.63 1jxs n SER 56 Ca 0.02 0.17 -0.08 0.00 -1.33 0.00 0.00 58.87 57.64 1jxs n SER 56 Cb 0.39 -0.66 -0.01 0.00 -0.75 0.00 0.00 64.21 63.18 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 -0.64 0.25 -8.44 2.46 6.46 -1.76 -3.33 115.31 110.31 1jxs h LEU 57 Ca -0.65 0.01 -0.59 0.00 -0.12 0.00 0.00 57.88 56.52 1jxs h LEU 57 Cb 1.70 -0.04 -0.11 0.00 -0.73 0.00 0.00 40.66 41.48 1jxs h LEU 57 CO -0.30 0.19 0.70 0.20 -0.62 0.00 0.00 178.44 178.60 1jxs s ASN 58 N -5.41 6.30 0.00 1.25 0.01 -1.23 -4.86 114.94 111.00 1jxs s ASN 58 Ca -0.13 -0.41 0.28 0.00 -0.71 0.00 0.00 52.86 51.89 1jxs s ASN 58 Cb 0.10 -2.47 1.14 0.00 0.41 0.00 0.00 41.25 40.43 1jxs s ASN 58 CO 0.70 -1.40 1.81 0.54 -1.51 0.00 0.00 177.10 177.24 1jxs n ARG 59 N 7.94 0.78 -0.26 -0.60 1.74 -1.25 -3.81 116.66 121.20 1jxs n ARG 59 Ca 0.02 -0.32 0.25 0.00 -0.77 0.00 0.00 57.85 57.03 1jxs n ARG 59 Cb 0.48 -1.49 0.61 0.00 -1.02 0.00 0.00 32.46 31.03 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 0.78 0.35 -1.48 -1.55 -1.99 -1.92 -3.25 116.97 107.91 1jxs h TYR 60 Ca 0.00 0.01 -0.55 0.00 2.00 0.00 0.00 58.73 60.19 1jxs h TYR 60 Cb 0.38 -0.10 -0.09 0.00 2.00 0.00 0.00 36.73 38.92 1jxs h TYR 60 CO 0.00 0.06 1.30 -0.06 -0.00 0.00 0.00 178.16 179.46 1jxs s PHE 61 N -5.25 2.37 -1.23 4.88 0.08 -1.25 -3.14 117.98 114.43 1jxs s PHE 61 Ca -0.07 -0.43 -0.20 0.00 0.12 0.00 0.00 56.93 56.35 1jxs s PHE 61 Cb 0.23 -4.60 0.03 0.00 -0.57 0.00 0.00 43.02 38.11 1jxs s PHE 61 CO 0.79 -1.98 1.76 0.96 -0.10 0.00 0.00 175.22 176.65 1jxs s ILE 62 N 5.77 3.96 0.27 0.64 -4.36 0.99 -4.67 121.20 123.80 1jxs s ILE 62 Ca 0.46 -1.54 -0.29 0.00 -0.26 0.00 0.00 60.65 59.02 1jxs s ILE 62 Cb -0.03 -5.02 -0.09 0.00 1.25 0.00 0.00 42.46 38.57 1jxs s ILE 62 CO -0.01 -1.77 0.95 -1.59 0.24 0.00 0.00 174.94 172.77 1jxs s LYS 63 N 4.87 4.75 -0.11 0.37 0.00 -1.25 -3.23 119.74 125.13 1jxs s LYS 63 Ca 0.57 1.45 0.02 0.00 0.00 0.00 0.00 55.97 58.01 1jxs s LYS 63 Cb 0.02 -3.10 -0.01 0.00 0.00 0.00 0.00 37.83 34.74 1jxs s LYS 63 CO 0.07 0.41 -0.19 0.14 0.00 0.00 0.00 175.35 175.79 1jxs s VAL 64 N -1.33 2.55 -0.31 1.79 -7.23 -1.10 -4.94 120.40 109.84 1jxs s VAL 64 Ca 0.45 -0.85 -0.29 0.00 -1.81 0.00 0.00 61.98 59.47 1jxs s VAL 64 Cb -0.24 -2.02 0.01 0.00 0.56 0.00 0.00 36.38 34.70 1jxs s VAL 64 CO 0.30 0.55 1.11 -2.16 -0.31 0.00 0.00 175.10 174.59 1jxs s PRO 65 N 0.22 4.06 0.00 4.82 0.04 -1.26 -3.75 135.00 139.13 1jxs s PRO 65 Ca -0.12 1.13 0.00 0.00 0.04 0.00 0.00 61.00 62.05 1jxs s PRO 65 Cb -0.16 -3.75 0.00 0.00 0.04 0.00 0.00 34.50 30.62 1jxs s PRO 65 CO 0.06 -0.91 0.00 0.54 0.04 0.00 0.00 177.00 176.73 1jxs n ARG 66 N 6.90 -0.22 -2.58 4.56 1.74 -1.26 -4.99 116.66 120.81 1jxs n ARG 66 Ca 0.12 0.00 -0.16 0.00 -0.77 0.00 0.00 57.85 57.05 1jxs n ARG 66 Cb 0.47 0.00 0.02 0.00 -1.02 0.00 0.00 32.46 31.93 1jxs n ARG 66 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1jxs n SER 67 N -1.56 2.73 -3.58 0.55 7.64 -1.26 -4.95 113.62 113.19 1jxs n SER 67 Ca 0.00 -3.08 -0.23 0.00 1.01 0.00 0.00 58.87 56.57 1jxs n SER 67 Cb 0.00 -0.50 0.05 0.00 -1.01 0.00 0.00 64.21 62.75 1jxs n SER 67 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 1jxs n GLN 68 N -0.25 -3.18 0.00 1.43 7.27 -1.14 -4.97 117.38 116.54 1jxs n GLN 68 Ca 0.21 0.63 0.00 0.00 0.07 0.00 0.00 57.00 57.91 1jxs n GLN 68 Cb 0.77 -5.01 0.00 0.00 2.41 0.00 0.00 30.24 28.40 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 -4.00 0.00 -0.07 3.69 1.02 -1.26 -4.65 120.64 115.36 1jxs n GLU 69 Ca -0.18 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 56.84 1jxs n GLU 69 Cb 0.64 0.00 -0.10 0.00 -0.02 0.00 0.00 31.44 31.96 1jxs n GLU 69 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 1jxs h GLU 70 N 0.00 0.00 0.06 3.49 4.57 -2.03 -3.41 114.58 117.25 1jxs h GLU 70 Ca 0.00 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1jxs h GLU 70 Cb 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 1jxs h GLU 70 CO 0.00 0.79 -0.03 -1.00 -1.18 0.00 0.00 179.01 177.60 1jxs h PRO 71 N -1.00 -0.07 0.00 0.92 0.13 -2.00 -3.49 132.00 126.49 1jxs h PRO 71 Ca -0.04 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 1jxs h PRO 71 Cb 0.84 0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.99 1jxs h PRO 71 CO -0.02 -0.05 0.00 0.41 -0.23 0.00 0.00 178.00 178.11 1jxs n GLY 72 N 1.60 3.98 3.15 1.56 0.00 -1.26 -5.02 105.19 109.19 1jxs n GLY 72 Ca -0.01 -0.83 0.05 0.00 0.00 0.00 0.00 46.02 45.24 1jxs n GLY 72 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1jxs s LYS 73 N 0.00 0.23 0.00 1.61 2.20 -1.26 -2.90 119.74 119.61 1jxs s LYS 73 Ca 0.00 0.36 0.00 0.00 -0.36 0.00 0.00 55.97 55.97 1jxs s LYS 73 Cb 0.00 0.19 0.00 0.00 -1.51 0.00 0.00 37.83 36.51 1jxs s LYS 73 CO 0.00 -0.28 0.00 0.41 -0.36 0.00 0.00 175.35 175.12 1jxs n GLY 74 N 5.40 3.62 3.05 5.54 0.00 -1.26 -5.09 105.19 116.46 1jxs n GLY 74 Ca -0.03 -0.70 0.03 0.00 0.00 0.00 0.00 46.02 45.33 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 1.82 -0.79 0.14 1.61 0.01 -1.26 -4.31 113.70 110.92 1jxs s SER 75 Ca 0.00 -0.13 -0.30 0.00 1.31 0.00 0.00 55.95 56.82 1jxs s SER 75 Cb 0.00 1.26 -0.08 0.00 0.21 0.00 0.00 66.02 67.42 1jxs s SER 75 CO 0.00 -0.12 1.28 0.12 0.41 0.00 0.00 173.24 174.93 1jxs s PHE 76 N 2.45 3.33 -0.51 2.43 5.36 -1.25 -4.08 117.98 125.72 1jxs s PHE 76 Ca 0.19 1.21 -0.18 0.00 -0.96 0.00 0.00 56.93 57.19 1jxs s PHE 76 Cb -0.02 -3.55 0.06 0.00 -0.34 0.00 0.00 43.02 39.18 1jxs s PHE 76 CO -0.18 -1.73 0.59 -1.58 -1.46 0.00 0.00 175.22 170.86 1jxs s TRP 77 N 0.54 3.08 -0.22 10.12 0.52 0.11 -2.70 118.94 130.40 1jxs s TRP 77 Ca 0.58 -0.63 -0.10 0.00 0.02 0.00 0.00 56.10 55.96 1jxs s TRP 77 Cb -0.34 -3.51 -0.05 0.00 -1.15 0.00 0.00 33.47 28.42 1jxs s TRP 77 CO 0.34 -1.01 0.15 1.03 0.02 0.00 0.00 176.95 177.48 1jxs s ARG 78 N 2.46 4.13 -0.03 4.98 1.81 -1.20 -1.84 118.95 129.27 1jxs s ARG 78 Ca 0.13 -0.23 -0.27 0.00 -1.72 0.00 0.00 55.73 53.64 1jxs s ARG 78 Cb -0.20 -3.48 -0.03 0.00 -0.45 0.00 0.00 34.95 30.79 1jxs s ARG 78 CO 0.11 0.18 0.86 -1.50 -0.68 0.00 0.00 175.30 174.27 1jxs s ILE 79 N 0.70 4.94 1.03 1.52 1.10 -1.15 -0.01 121.20 129.34 1jxs s ILE 79 Ca 0.08 1.80 -0.17 0.00 -0.51 0.00 0.00 60.65 61.85 1jxs s ILE 79 Cb -0.12 -4.20 0.23 0.00 0.15 0.00 0.00 42.46 38.51 1jxs s ILE 79 CO 0.01 0.19 1.27 -1.81 -2.11 0.00 0.00 174.94 172.49 1jxs s ASP 80 N 0.93 2.45 0.03 4.50 1.11 -1.19 -4.84 116.67 119.67 1jxs s ASP 80 Ca 0.46 0.36 -0.19 0.00 0.18 0.00 0.00 52.55 53.36 1jxs s ASP 80 Cb -0.19 -0.45 -0.20 0.00 1.07 0.00 0.00 42.92 43.15 1jxs s ASP 80 CO 0.23 -3.15 1.18 1.55 1.18 0.00 0.00 175.17 176.17 1jxs h PRO 81 N -1.93 0.46 -1.11 8.23 0.13 -1.96 -3.09 132.00 132.74 1jxs h PRO 81 Ca -0.44 -0.41 -0.43 0.00 -0.87 0.00 0.00 66.00 63.85 1jxs h PRO 81 Cb 1.25 0.09 -0.22 0.00 0.13 0.00 0.00 31.00 32.25 1jxs h PRO 81 CO 0.36 1.05 0.55 0.00 -0.23 0.00 0.00 178.00 179.73 1jxs n ALA 82 N -2.55 5.16 0.06 -0.56 0.00 -1.26 -4.28 120.51 117.07 1jxs n ALA 82 Ca -0.09 -2.28 0.00 0.00 0.00 0.00 0.00 53.44 51.07 1jxs n ALA 82 Cb 0.61 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.63 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 -0.52 0.71 -0.01 0.00 7.64 -1.19 -4.75 113.62 115.50 1jxs n SER 83 Ca 0.45 0.17 -0.02 0.00 1.01 0.00 0.00 58.87 60.48 1jxs n SER 83 Cb 1.05 -0.16 -0.01 0.00 -1.01 0.00 0.00 64.21 64.08 1jxs n SER 83 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 1jxs h GLU 84 N 0.00 -0.06 -1.28 1.43 4.81 -1.72 0.12 114.58 117.88 1jxs h GLU 84 Ca 0.00 0.00 0.37 0.00 -0.13 0.00 0.00 59.36 59.61 1jxs h GLU 84 Cb 0.16 0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.50 1jxs h GLU 84 CO 0.00 -0.04 1.00 -1.13 -0.73 0.00 0.00 179.01 178.11 1jxs n SER 85 N -3.01 0.00 -0.08 1.04 3.41 -1.26 0.14 113.62 113.86 1jxs n SER 85 Ca -0.01 0.68 -0.15 0.00 -0.26 0.00 0.00 58.87 59.13 1jxs n SER 85 Cb 0.05 -0.32 -0.11 0.00 -0.26 0.00 0.00 64.21 63.56 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 0.00 0.00 4.33 1.79 -1.07 -3.35 116.57 118.27 1jxs h LYS 86 Ca 0.61 0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 59.03 1jxs h LYS 86 Cb 2.60 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 33.24 1jxs h LYS 86 CO -0.01 0.91 -0.21 1.37 -1.08 0.00 0.00 179.45 180.43 1jxs h LEU 87 N -1.00 0.00 -1.90 2.94 -0.00 0.21 -2.39 115.31 113.18 1jxs h LEU 87 Ca -0.10 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.77 1jxs h LEU 87 Cb 1.02 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.67 1jxs h LEU 87 CO -0.06 0.21 -0.06 0.16 -0.00 0.00 0.00 178.44 178.69 1jxs h ILE 88 N 0.00 0.22 0.01 0.15 -2.65 -1.27 0.20 117.51 114.17 1jxs h ILE 88 Ca -0.00 -0.47 -0.21 0.00 1.03 0.00 0.00 64.86 65.21 1jxs h ILE 88 Cb 0.72 1.38 -0.03 0.00 -2.05 0.00 0.00 36.82 36.84 1jxs h ILE 88 CO 0.03 0.06 -1.00 -0.33 0.03 0.00 0.00 178.15 176.94 1jxs h GLU 89 N 0.00 0.03 0.00 0.16 3.07 -1.56 0.87 114.58 117.15 1jxs h GLU 89 Ca -0.00 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.82 1jxs h GLU 89 Cb 0.37 0.02 0.00 0.00 -0.84 0.00 0.00 28.75 28.30 1jxs h GLU 89 CO 0.01 1.00 -0.64 0.94 -1.40 0.00 0.00 179.01 178.91 1jxs n GLN 90 N -3.40 0.29 -0.02 2.33 -0.06 -0.43 -3.63 117.38 112.45 1jxs n GLN 90 Ca -0.01 0.08 0.08 0.00 -2.00 0.00 0.00 57.00 55.15 1jxs n GLN 90 Cb 0.93 -1.68 -0.17 0.00 -4.06 0.00 0.00 30.24 25.26 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 -1.82 2.61 -1.10 1.69 0.00 0.57 -4.16 120.51 118.30 1jxs n ALA 91 Ca 0.03 -0.64 -0.13 0.00 0.00 0.00 0.00 53.44 52.70 1jxs n ALA 91 Cb 0.44 -0.66 0.26 0.00 0.00 0.00 0.00 19.45 19.49 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 -2.33 2.71 -3.05 0.00 3.01 0.29 -4.70 117.46 113.40 1jxs n PHE 92 Ca -0.08 -1.45 0.03 0.00 1.01 0.00 0.00 57.45 56.96 1jxs n PHE 92 Cb 0.66 -0.79 -0.00 0.00 -0.01 0.00 0.00 39.48 39.33 1jxs n PHE 92 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 1jxs s ARG 93 N -3.09 0.39 0.98 -1.08 0.52 -1.24 -4.98 118.95 110.45 1jxs s ARG 93 Ca 0.56 0.07 -0.16 0.00 -0.52 0.00 0.00 55.73 55.67 1jxs s ARG 93 Cb 0.45 0.09 0.25 0.00 0.52 0.00 0.00 34.95 36.27 1jxs s ARG 93 CO 0.13 -0.62 0.57 0.36 0.02 0.00 0.00 175.30 175.75 1jxs n LYS 94 N 4.58 -3.71 -2.91 3.54 2.85 -1.26 -4.76 118.16 116.49 1jxs n LYS 94 Ca 0.08 -0.95 -0.27 0.00 -1.05 0.00 0.00 58.31 56.12 1jxs n LYS 94 Cb 0.59 -1.28 -0.04 0.00 -0.65 0.00 0.00 35.03 33.65 1jxs n LYS 94 CO 0.00 0.00 0.00 2.89 -0.05 0.00 0.00 177.40 180.24 1jxs n ARG 95 N -4.30 3.23 -0.07 -1.58 1.85 -1.26 -4.85 116.66 109.68 1jxs n ARG 95 Ca 0.09 -4.82 -0.08 0.00 -1.00 0.00 0.00 57.85 52.03 1jxs n ARG 95 Cb 0.39 -2.23 -0.06 0.00 -1.05 0.00 0.00 32.46 29.51 1jxs n ARG 95 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1jxs h ARG 96 N 2.95 0.00 0.20 2.89 2.47 -2.05 -3.38 114.38 117.46 1jxs h ARG 96 Ca 0.14 0.00 -0.31 0.00 -1.26 0.00 0.00 59.98 58.55 1jxs h ARG 96 Cb 0.53 0.00 0.03 0.00 -1.65 0.00 0.00 29.97 28.89 1jxs h ARG 96 CO 0.82 0.46 -1.34 -1.00 0.56 0.00 0.00 179.97 179.46 1jxs h PRO 97 N -1.00 0.56 0.00 0.04 0.13 -2.02 -3.57 132.00 126.14 1jxs h PRO 97 Ca -0.05 -0.87 0.00 0.00 -0.87 0.00 0.00 66.00 64.21 1jxs h PRO 97 Cb 0.59 0.31 0.00 0.00 0.13 0.00 0.00 31.00 32.03 1jxs h PRO 97 CO -0.03 1.41 0.00 -2.13 -0.23 0.00 0.00 178.00 177.02