#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 -5.88 -4.48 -2.24 3.41 -1.26 -4.43 113.62 98.73 1jxs n SER 2 Ca 0.00 -0.28 -0.42 0.00 -0.26 0.00 0.00 58.87 57.90 1jxs n SER 2 Cb 0.00 -2.55 -0.15 0.00 -0.26 0.00 0.00 64.21 61.26 1jxs n SER 2 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1jxs n LYS 3 N -1.06 0.02 -2.63 4.33 0.00 -1.26 -4.81 118.16 112.75 1jxs n LYS 3 Ca -0.12 0.00 -0.43 0.00 0.00 0.00 0.00 58.31 57.76 1jxs n LYS 3 Cb 0.64 -1.54 -0.02 0.00 0.00 0.00 0.00 35.03 34.11 1jxs n LYS 3 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 1jxs s PRO 4 N 8.78 4.05 0.12 1.64 0.04 -1.26 -5.01 135.00 143.36 1jxs s PRO 4 Ca 1.34 1.07 -0.30 0.00 0.04 0.00 0.00 61.00 63.15 1jxs s PRO 4 Cb -1.26 -3.75 -0.06 0.00 0.04 0.00 0.00 34.50 29.48 1jxs s PRO 4 CO 0.50 -0.92 1.03 -1.25 0.04 0.00 0.00 177.00 176.39 1jxs s PRO 5 N 3.69 4.63 0.46 0.56 0.04 -1.26 -4.96 135.00 138.17 1jxs s PRO 5 Ca 0.46 1.56 0.00 0.00 0.04 0.00 0.00 61.00 63.06 1jxs s PRO 5 Cb -0.12 -3.35 -0.00 0.00 0.04 0.00 0.00 34.50 31.07 1jxs s PRO 5 CO 0.16 0.11 0.00 0.66 0.04 0.00 0.00 177.00 177.97 1jxs n TYR 6 N 2.81 1.07 -1.86 0.56 4.01 -1.26 -4.83 117.16 117.66 1jxs n TYR 6 Ca 0.03 -2.29 -0.30 0.00 -0.16 0.00 0.00 57.90 55.18 1jxs n TYR 6 Cb 0.48 -0.30 0.16 0.00 -0.31 0.00 0.00 39.34 39.37 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 -3.55 3.38 0.07 7.72 0.01 -1.26 -4.98 113.70 115.08 1jxs s SER 7 Ca 0.00 0.45 0.14 0.00 1.31 0.00 0.00 55.95 57.85 1jxs s SER 7 Cb 0.00 -0.64 -0.15 0.00 0.21 0.00 0.00 66.02 65.44 1jxs s SER 7 CO 0.00 -2.59 0.92 1.88 0.41 0.00 0.00 173.24 173.87 1jxs h TYR 8 N -1.54 0.00 0.00 2.43 0.05 -1.95 -3.27 116.97 112.70 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 1.27 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.01 1jxs h TYR 8 CO -0.76 0.76 -0.08 0.00 -1.05 0.00 0.00 178.16 177.03 1jxs n ALA 9 N -2.42 2.47 -0.01 3.88 0.00 -1.26 -3.62 120.51 119.55 1jxs n ALA 9 Ca -0.09 -0.11 -0.16 0.00 0.00 0.00 0.00 53.44 53.07 1jxs n ALA 9 Cb 0.91 -1.42 -0.14 0.00 0.00 0.00 0.00 19.45 18.80 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 -1.73 0.71 0.23 0.00 6.02 -1.24 -3.73 117.38 117.63 1jxs n GLN 10 Ca 0.06 0.27 0.15 0.00 -0.01 0.00 0.00 57.00 57.47 1jxs n GLN 10 Cb 0.37 -1.73 0.79 0.00 1.02 0.00 0.00 30.24 30.68 1jxs n GLN 10 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 1jxs h LEU 11 N 0.04 0.00 0.07 1.08 3.38 -1.62 -0.01 115.31 118.26 1jxs h LEU 11 Ca -0.38 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.26 1jxs h LEU 11 Cb 2.03 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.75 1jxs h LEU 11 CO 0.08 0.00 -1.89 -0.38 0.09 0.00 0.00 178.44 176.34 1jxs n ILE 12 N -2.54 1.71 0.21 1.22 5.41 -1.25 -3.45 119.36 120.67 1jxs n ILE 12 Ca -0.02 -0.71 -0.08 0.00 1.00 0.00 0.00 62.75 62.93 1jxs n ILE 12 Cb 0.09 -1.44 -0.04 0.00 -0.71 0.00 0.00 39.64 37.54 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 0.04 0.00 0.00 1.39 2.07 -1.10 0.22 116.25 118.88 1jxs h VAL 13 Ca -0.37 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.15 1jxs h VAL 13 Cb 2.03 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.80 1jxs h VAL 13 CO 0.08 0.00 0.15 0.06 0.02 0.00 0.00 177.57 177.88 1jxs h GLN 14 N -0.54 0.00 0.00 1.57 3.07 -1.63 0.60 115.11 118.19 1jxs h GLN 14 Ca -0.05 0.00 -0.28 0.00 0.09 0.00 0.00 58.65 58.40 1jxs h GLN 14 Cb 0.42 0.00 -0.05 0.00 0.08 0.00 0.00 27.48 27.93 1jxs h GLN 14 CO 0.08 0.00 -1.63 0.00 0.09 0.00 0.00 178.83 177.37 1jxs h ALA 15 N 1.60 0.72 0.11 0.06 0.00 -1.40 -2.90 119.26 117.44 1jxs h ALA 15 Ca 0.00 -1.40 -0.01 0.00 0.00 0.00 0.00 54.91 53.51 1jxs h ALA 15 Cb 0.30 0.42 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1jxs h ALA 15 CO 0.00 1.54 -0.05 0.82 0.00 0.00 0.00 179.25 181.56 1jxs h ILE 16 N 0.00 0.45 -0.71 0.00 5.03 0.12 0.83 117.51 123.23 1jxs h ILE 16 Ca -0.25 -1.17 0.03 0.00 -0.12 0.00 0.00 64.86 63.35 1jxs h ILE 16 Cb 1.99 0.81 -0.04 0.00 -3.03 0.00 0.00 36.82 36.55 1jxs h ILE 16 CO 0.09 0.14 0.47 0.71 -0.68 0.00 0.00 178.15 178.88 1jxs h THR 17 N -1.00 1.12 0.00 -0.27 1.35 -1.62 -0.50 112.91 111.99 1jxs h THR 17 Ca -0.01 -0.30 -0.15 0.00 -0.55 0.00 0.00 66.41 65.40 1jxs h THR 17 Cb 0.34 0.16 -0.02 0.00 -1.73 0.00 0.00 68.15 66.90 1jxs h THR 17 CO 0.02 0.16 -0.70 -0.03 -0.25 0.00 0.00 175.52 174.73 1jxs h MET 18 N 0.88 0.00 -6.61 4.72 1.85 -1.59 -3.44 114.93 110.75 1jxs h MET 18 Ca 0.28 0.00 -0.57 0.00 -0.61 0.00 0.00 59.70 58.80 1jxs h MET 18 Cb 0.03 0.00 0.18 0.00 0.43 0.00 0.00 31.60 32.23 1jxs h MET 18 CO -0.08 0.70 -0.31 0.00 -0.40 0.00 0.00 176.91 176.82 1jxs n ALA 19 N -2.39 -1.06 1.47 0.39 0.00 0.29 -4.80 120.51 114.41 1jxs n ALA 19 Ca -0.01 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1jxs n ALA 19 Cb 0.70 -1.88 0.01 0.00 0.00 0.00 0.00 19.45 18.28 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 -0.45 0.74 -0.60 0.00 -0.04 -1.26 -3.16 135.00 130.21 1jxs n PRO 20 Ca 0.11 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.57 1jxs n PRO 20 Cb 0.48 -1.01 -0.01 0.00 -0.04 0.00 0.00 33.50 32.93 1jxs n PRO 20 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1jxs n ASP 21 N -0.51 -0.10 0.00 3.54 9.92 -1.26 -4.95 116.55 123.19 1jxs n ASP 21 Ca 0.00 -1.35 0.00 0.00 -0.53 0.00 0.00 54.79 52.91 1jxs n ASP 21 Cb 0.00 -0.01 0.00 0.00 -0.64 0.00 0.00 41.12 40.47 1jxs n ASP 21 CO 0.00 0.00 0.00 1.17 0.13 0.00 0.00 177.20 178.50 1jxs n LYS 22 N 0.02 -1.54 -4.00 -1.24 3.00 -1.19 -4.92 118.16 108.29 1jxs n LYS 22 Ca -0.03 0.39 -0.08 0.00 -0.00 0.00 0.00 58.31 58.58 1jxs n LYS 22 Cb 0.59 -4.55 -0.09 0.00 0.00 0.00 0.00 35.03 30.97 1jxs n LYS 22 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 1jxs s GLN 23 N -1.55 0.63 0.18 1.64 -0.21 -1.25 -2.87 119.66 116.23 1jxs s GLN 23 Ca 0.00 -1.01 -0.23 0.00 0.02 0.00 0.00 55.36 54.13 1jxs s GLN 23 Cb 0.00 0.24 0.05 0.00 1.00 0.00 0.00 33.01 34.30 1jxs s GLN 23 CO 0.00 -0.15 0.75 -0.48 -2.12 0.00 0.00 175.29 173.29 1jxs s LEU 24 N -2.62 -0.35 0.52 2.90 -0.00 -0.78 -4.53 118.68 113.80 1jxs s LEU 24 Ca 0.02 -0.30 -0.17 0.00 -0.00 0.00 0.00 54.13 53.68 1jxs s LEU 24 Cb 0.04 2.49 -0.08 0.00 -0.00 0.00 0.00 46.19 48.65 1jxs s LEU 24 CO -0.08 -1.05 0.99 -0.89 -0.00 0.00 0.00 176.35 175.31 1jxs s THR 25 N -3.65 4.49 0.31 5.48 2.01 -1.26 -0.49 115.64 122.53 1jxs s THR 25 Ca 0.07 1.20 0.07 0.00 0.31 0.00 0.00 61.69 63.34 1jxs s THR 25 Cb -0.03 -3.70 0.31 0.00 0.01 0.00 0.00 72.50 69.09 1jxs s THR 25 CO -0.02 -0.67 1.68 0.25 -0.69 0.00 0.00 174.62 175.16 1jxs h LEU 26 N 0.91 0.34 -0.95 4.42 6.46 -1.95 0.49 115.31 125.03 1jxs h LEU 26 Ca -0.47 0.17 0.27 0.00 -0.12 0.00 0.00 57.88 57.74 1jxs h LEU 26 Cb 1.19 0.16 -0.17 0.00 -0.73 0.00 0.00 40.66 41.10 1jxs h LEU 26 CO 0.61 -0.06 0.12 0.78 -0.62 0.00 0.00 178.44 179.27 1jxs h ASN 27 N 0.35 -0.29 -0.26 1.25 4.21 -2.01 -1.72 115.58 117.11 1jxs h ASN 27 Ca 0.61 0.26 0.03 0.00 1.21 0.00 0.00 56.30 58.41 1jxs h ASN 27 Cb 1.26 0.41 -0.03 0.00 -1.12 0.00 0.00 38.32 38.83 1jxs h ASN 27 CO -0.58 -0.31 -0.14 0.61 -1.29 0.00 0.00 177.43 175.72 1jxs n GLY 28 N -1.44 -0.63 0.27 2.83 0.00 0.17 0.15 105.19 106.54 1jxs n GLY 28 Ca 0.24 0.30 -0.08 0.00 0.00 0.00 0.00 46.02 46.48 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 0.86 -0.61 1.08 -1.51 0.85 117.51 118.18 1jxs h ILE 29 Ca 0.05 0.00 -0.04 0.00 -0.39 0.00 0.00 64.86 64.48 1jxs h ILE 29 Cb 0.12 0.00 0.01 0.00 -3.07 0.00 0.00 36.82 33.88 1jxs h ILE 29 CO -0.25 0.00 -0.42 1.88 -0.69 0.00 0.00 178.15 178.68 1jxs h TYR 30 N -0.15 -1.08 0.00 1.37 0.05 0.13 -1.45 116.97 115.84 1jxs h TYR 30 Ca 0.07 -0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.82 1jxs h TYR 30 Cb 0.32 0.36 0.00 0.00 1.01 0.00 0.00 36.73 38.42 1jxs h TYR 30 CO -0.80 -0.67 0.00 2.41 -1.05 0.00 0.00 178.16 178.05 1jxs n THR 31 N -5.59 0.00 -0.07 -2.88 -1.04 -0.29 -2.14 114.28 102.27 1jxs n THR 31 Ca -0.15 0.00 -0.08 0.00 -2.04 0.00 0.00 64.05 61.78 1jxs n THR 31 Cb 0.46 -0.81 -0.03 0.00 -1.82 0.00 0.00 70.33 68.14 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 -0.98 0.00 -0.20 -1.42 -0.00 0.29 -4.11 115.22 108.80 1jxs n HIS 32 Ca 0.08 0.00 0.11 0.00 -0.00 0.00 0.00 57.72 57.92 1jxs n HIS 32 Cb 0.04 -0.43 0.42 0.00 -0.00 0.00 0.00 29.99 30.01 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 -0.87 0.88 -0.36 3.57 -0.00 -1.28 -1.45 117.51 118.00 1jxs h ILE 33 Ca 0.00 -0.21 0.00 0.00 -0.00 0.00 0.00 64.86 64.65 1jxs h ILE 33 Cb 0.87 0.22 -0.02 0.00 -0.00 0.00 0.00 36.82 37.89 1jxs h ILE 33 CO 0.00 0.11 0.23 0.71 -0.00 0.00 0.00 178.15 179.20 1jxs h THR 34 N 0.61 1.10 0.00 2.19 1.35 -1.65 -0.53 112.91 115.98 1jxs h THR 34 Ca 0.37 -0.21 0.00 0.00 -0.55 0.00 0.00 66.41 66.03 1jxs h THR 34 Cb 0.62 0.60 0.00 0.00 -1.73 0.00 0.00 68.15 67.63 1jxs h THR 34 CO -0.14 0.10 0.00 1.17 -0.25 0.00 0.00 175.52 176.40 1jxs n LYS 35 N -4.82 0.19 0.00 4.72 4.81 -0.58 -3.98 118.16 118.49 1jxs n LYS 35 Ca -0.00 0.45 0.00 0.00 -0.87 0.00 0.00 58.31 57.89 1jxs n LYS 35 Cb 0.03 -1.89 0.00 0.00 0.02 0.00 0.00 35.03 33.19 1jxs n LYS 35 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1jxs n ASN 36 N -2.26 0.00 -3.35 3.14 3.02 -0.41 -4.98 115.26 110.43 1jxs n ASN 36 Ca 0.02 0.06 -0.24 0.00 -0.03 0.00 0.00 54.58 54.39 1jxs n ASN 36 Cb 0.21 -0.15 0.20 0.00 -0.61 0.00 0.00 39.78 39.43 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 -1.43 -3.71 0.00 3.10 4.01 -0.34 -4.92 117.16 113.86 1jxs n TYR 37 Ca 0.00 -0.80 0.00 0.00 -0.16 0.00 0.00 57.90 56.94 1jxs n TYR 37 Cb 0.00 -0.93 0.00 0.00 -0.31 0.00 0.00 39.34 38.10 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 -4.25 0.00 -3.69 -0.72 -0.04 -1.26 -4.75 135.00 120.29 1jxs n PRO 38 Ca 0.12 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.37 1jxs n PRO 38 Cb 0.48 -0.42 -0.03 0.00 -0.04 0.00 0.00 33.50 33.49 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 -0.02 2.83 0.00 0.54 1.13 -1.26 -4.91 117.35 115.66 1jxs s TYR 39 Ca 0.00 -0.38 0.00 0.00 -1.41 0.00 0.00 57.07 55.28 1jxs s TYR 39 Cb 0.00 -1.96 0.00 0.00 -1.10 0.00 0.00 41.96 38.90 1jxs s TYR 39 CO 0.00 0.05 0.00 0.98 -2.51 0.00 0.00 175.55 174.07 1jxs n TYR 40 N -1.46 0.00 0.68 -3.49 4.19 -1.26 -4.90 117.16 110.92 1jxs n TYR 40 Ca 0.01 0.00 0.07 0.00 3.31 0.00 0.00 57.90 61.29 1jxs n TYR 40 Cb 0.60 0.00 0.36 0.00 0.49 0.00 0.00 39.34 40.80 1jxs n TYR 40 CO 0.00 0.00 0.00 -2.13 0.91 0.00 0.00 176.86 175.64 1jxs n ARG 41 N 0.00 0.20 0.00 2.98 0.63 -1.26 -1.15 116.66 118.07 1jxs n ARG 41 Ca 0.00 0.15 0.01 0.00 -0.92 0.00 0.00 57.85 57.09 1jxs n ARG 41 Cb 0.00 -1.50 -0.00 0.00 0.45 0.00 0.00 32.46 31.41 1jxs n ARG 41 CO 0.00 0.00 0.00 2.41 -2.51 0.00 0.00 177.63 177.53 1jxs n THR 42 N -1.29 0.00 0.30 5.15 -1.04 -1.26 -4.62 114.28 111.52 1jxs n THR 42 Ca 0.07 -0.48 0.04 0.00 -2.04 0.00 0.00 64.05 61.65 1jxs n THR 42 Cb 0.12 1.01 -0.06 0.00 -1.82 0.00 0.00 70.33 69.57 1jxs n THR 42 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1jxs n ALA 43 N -0.82 2.93 -3.63 2.41 0.00 -0.95 -4.96 120.51 115.50 1jxs n ALA 43 Ca 0.00 -0.24 -0.04 0.00 0.00 0.00 0.00 53.44 53.16 1jxs n ALA 43 Cb 0.02 -0.32 -0.06 0.00 0.00 0.00 0.00 19.45 19.09 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 -2.19 -0.76 -0.23 0.00 1.11 -0.30 -4.99 116.67 109.32 1jxs s ASP 44 Ca 0.01 1.28 0.14 0.00 0.18 0.00 0.00 52.55 54.17 1jxs s ASP 44 Cb 0.07 1.88 0.82 0.00 1.07 0.00 0.00 42.92 46.75 1jxs s ASP 44 CO 0.37 -0.23 1.74 1.17 1.18 0.00 0.00 175.17 179.41 1jxs n LYS 45 N 5.42 4.80 -0.09 8.23 4.81 -1.26 -4.44 118.16 135.63 1jxs n LYS 45 Ca -0.10 -3.15 -0.14 0.00 -0.87 0.00 0.00 58.31 54.05 1jxs n LYS 45 Cb 0.49 -2.24 -0.07 0.00 0.02 0.00 0.00 35.03 33.24 1jxs n LYS 45 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1jxs n GLY 46 N 0.65 -0.87 0.30 3.14 0.00 -1.26 -4.15 105.19 103.00 1jxs n GLY 46 Ca 0.28 -0.03 0.16 0.00 0.00 0.00 0.00 46.02 46.43 1jxs n GLY 46 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 173.32 173.43 1jxs h TRP 47 N -1.00 0.00 0.00 1.61 5.08 -1.96 -2.59 115.95 117.10 1jxs h TRP 47 Ca -0.20 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.77 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 -0.06 0.03 0.00 1.04 -1.28 0.00 0.00 178.44 178.16 1jxs n GLN 48 N -3.59 0.00 0.21 0.12 6.02 -1.26 -1.69 117.38 117.20 1jxs n GLN 48 Ca -0.03 0.38 0.15 0.00 -0.01 0.00 0.00 57.00 57.50 1jxs n GLN 48 Cb 0.12 -1.05 0.66 0.00 1.02 0.00 0.00 30.24 30.99 1jxs n GLN 48 CO 0.00 0.00 0.00 -2.95 -1.01 0.00 0.00 177.06 173.10 1jxs h ASN 49 N 0.00 0.00 0.25 1.08 -1.07 -1.78 -2.32 115.58 111.73 1jxs h ASN 49 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 1jxs h ASN 49 Cb 0.00 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.25 1jxs h ASN 49 CO 0.00 0.00 0.00 -0.24 0.07 0.00 0.00 177.43 177.26 1jxs n SER 50 N -2.63 0.00 -0.09 6.14 2.88 -0.68 -2.97 113.62 116.27 1jxs n SER 50 Ca 0.01 0.26 -0.14 0.00 -1.33 0.00 0.00 58.87 57.66 1jxs n SER 50 Cb 0.21 -0.36 -0.08 0.00 -0.75 0.00 0.00 64.21 63.23 1jxs n SER 50 CO 0.00 0.00 0.00 -0.29 -1.23 0.00 0.00 175.04 173.52 1jxs h ILE 51 N 0.00 0.78 -1.28 2.46 6.09 -0.83 -3.33 117.51 121.41 1jxs h ILE 51 Ca 0.00 -1.83 0.37 0.00 -1.37 0.00 0.00 64.86 62.03 1jxs h ILE 51 Cb 0.12 1.72 -0.05 0.00 0.47 0.00 0.00 36.82 39.09 1jxs h ILE 51 CO 0.00 0.27 1.27 -1.14 -3.07 0.00 0.00 178.15 175.48 1jxs n ARG 52 N -4.54 0.01 0.06 2.19 0.63 -1.16 -0.00 116.66 113.85 1jxs n ARG 52 Ca -0.19 1.03 -0.11 0.00 -0.92 0.00 0.00 57.85 57.65 1jxs n ARG 52 Cb 0.49 -2.51 -0.04 0.00 0.45 0.00 0.00 32.46 30.84 1jxs n ARG 52 CO 0.00 0.00 0.00 1.25 -2.51 0.00 0.00 177.63 176.37 1jxs h HIS 53 N 0.00 -0.63 -0.69 -0.14 2.76 -1.68 -1.42 115.15 113.34 1jxs h HIS 53 Ca 0.61 0.02 -0.05 0.00 -2.20 0.00 0.00 60.37 58.75 1jxs h HIS 53 Cb 3.14 0.28 -0.03 0.00 1.55 0.00 0.00 27.41 32.35 1jxs h HIS 53 CO 0.00 -0.33 0.25 -2.95 -1.30 0.00 0.00 177.93 173.60 1jxs h ASN 54 N -0.37 0.95 -0.95 3.26 -1.07 -0.65 -1.29 115.58 115.46 1jxs h ASN 54 Ca 0.06 -0.15 0.28 0.00 0.07 0.00 0.00 56.30 56.56 1jxs h ASN 54 Cb 0.45 -0.25 -0.04 0.00 -2.07 0.00 0.00 38.32 36.42 1jxs h ASN 54 CO -0.21 0.87 0.96 -0.07 0.07 0.00 0.00 177.43 179.05 1jxs h LEU 55 N 1.01 0.00 0.00 6.14 3.38 -1.17 0.59 115.31 125.25 1jxs h LEU 55 Ca 0.23 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.18 1jxs h LEU 55 Cb 0.23 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 1jxs h LEU 55 CO -0.01 0.00 -0.78 -1.20 0.09 0.00 0.00 178.44 176.54 1jxs n SER 56 N -3.56 1.86 -0.11 -0.43 7.64 -0.52 -4.52 113.62 113.99 1jxs n SER 56 Ca 0.21 0.51 -0.08 0.00 1.01 0.00 0.00 58.87 60.51 1jxs n SER 56 Cb 1.26 -0.83 -0.06 0.00 -1.01 0.00 0.00 64.21 63.58 1jxs n SER 56 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1jxs h LEU 57 N -1.00 -1.17 -8.45 -3.43 6.46 -0.95 -3.18 115.31 103.60 1jxs h LEU 57 Ca -0.04 0.16 -0.47 0.00 -0.12 0.00 0.00 57.88 57.41 1jxs h LEU 57 Cb 0.75 0.49 -0.04 0.00 -0.73 0.00 0.00 40.66 41.13 1jxs h LEU 57 CO -0.02 -0.23 1.26 0.20 -0.62 0.00 0.00 178.44 179.03 1jxs s ASN 58 N -4.20 5.28 0.00 1.25 0.01 0.11 -4.79 114.94 112.61 1jxs s ASN 58 Ca -0.09 0.16 0.31 0.00 -0.71 0.00 0.00 52.86 52.54 1jxs s ASN 58 Cb 0.05 -2.53 1.80 0.00 0.41 0.00 0.00 41.25 40.98 1jxs s ASN 58 CO 0.38 -2.41 2.17 0.54 -1.51 0.00 0.00 177.10 176.26 1jxs n ARG 59 N 9.15 1.07 -0.17 -0.60 3.00 -1.20 -3.61 116.66 124.30 1jxs n ARG 59 Ca 0.23 -0.10 0.22 0.00 -0.01 0.00 0.00 57.85 58.19 1jxs n ARG 59 Cb 0.51 -1.49 0.62 0.00 0.00 0.00 0.00 32.46 32.10 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 0.24 0.23 -1.48 -1.55 0.05 -1.90 -3.29 116.97 109.27 1jxs h TYR 60 Ca 0.00 0.01 -0.57 0.00 0.05 0.00 0.00 58.73 58.22 1jxs h TYR 60 Cb 0.05 -0.07 -0.09 0.00 1.01 0.00 0.00 36.73 37.63 1jxs h TYR 60 CO 0.00 0.07 1.34 -0.06 -1.05 0.00 0.00 178.16 178.46 1jxs s PHE 61 N -5.18 2.42 -1.19 4.88 0.08 -1.24 -3.08 117.98 114.66 1jxs s PHE 61 Ca -0.06 -0.53 -0.20 0.00 0.12 0.00 0.00 56.93 56.25 1jxs s PHE 61 Cb 0.22 -4.65 0.04 0.00 -0.57 0.00 0.00 43.02 38.05 1jxs s PHE 61 CO 0.77 -1.98 1.71 0.96 -0.10 0.00 0.00 175.22 176.58 1jxs s ILE 62 N 5.44 3.95 0.35 0.64 -5.25 0.24 -4.70 121.20 121.87 1jxs s ILE 62 Ca 0.44 -1.41 -0.25 0.00 -0.99 0.00 0.00 60.65 58.44 1jxs s ILE 62 Cb -0.03 -5.01 -0.10 0.00 2.95 0.00 0.00 42.46 40.27 1jxs s ILE 62 CO -0.02 -1.80 0.95 -1.59 -1.79 0.00 0.00 174.94 170.70 1jxs s LYS 63 N 4.89 4.48 0.54 0.37 -2.85 -1.26 -3.25 119.74 122.66 1jxs s LYS 63 Ca 0.55 1.29 -0.11 0.00 -1.00 0.00 0.00 55.97 56.70 1jxs s LYS 63 Cb 0.02 -2.64 -0.05 0.00 -2.06 0.00 0.00 37.83 33.09 1jxs s LYS 63 CO 0.04 0.18 0.93 0.14 0.10 0.00 0.00 175.35 176.75 1jxs s VAL 64 N -1.75 4.72 0.15 1.79 -7.23 -1.14 -4.96 120.40 111.98 1jxs s VAL 64 Ca 0.53 0.78 -0.30 0.00 -1.81 0.00 0.00 61.98 61.19 1jxs s VAL 64 Cb -0.17 -3.82 -0.07 0.00 0.56 0.00 0.00 36.38 32.89 1jxs s VAL 64 CO 0.22 -0.90 1.00 -2.16 -0.31 0.00 0.00 175.10 172.95 1jxs s PRO 65 N -4.65 4.68 -0.08 4.82 0.04 -1.26 -4.90 135.00 133.65 1jxs s PRO 65 Ca 0.54 1.54 -0.30 0.00 0.04 0.00 0.00 61.00 62.82 1jxs s PRO 65 Cb -0.11 -3.33 -0.02 0.00 0.04 0.00 0.00 34.50 31.08 1jxs s PRO 65 CO 0.44 0.21 1.15 1.03 0.04 0.00 0.00 177.00 179.87 1jxs s ARG 66 N -0.26 4.35 0.00 4.56 1.81 -1.26 -4.90 118.95 123.25 1jxs s ARG 66 Ca 0.47 1.59 0.00 0.00 -1.72 0.00 0.00 55.73 56.07 1jxs s ARG 66 Cb -0.26 -3.57 0.00 0.00 -0.45 0.00 0.00 34.95 30.67 1jxs s ARG 66 CO 0.32 -0.45 0.00 0.43 -0.68 0.00 0.00 175.30 174.92 1jxs n SER 67 N 5.32 0.00 -2.52 0.23 7.64 -1.26 -4.99 113.62 118.04 1jxs n SER 67 Ca 0.11 0.00 -0.37 0.00 1.01 0.00 0.00 58.87 59.62 1jxs n SER 67 Cb 0.47 0.00 0.07 0.00 -1.01 0.00 0.00 64.21 63.73 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 0.00 2.71 -2.69 1.43 10.64 -1.26 -4.47 117.38 123.74 1jxs n GLN 68 Ca 0.00 -3.36 -0.07 0.00 -1.83 0.00 0.00 57.00 51.74 1jxs n GLN 68 Cb 0.00 -2.28 0.04 0.00 -0.86 0.00 0.00 30.24 27.13 1jxs n GLN 68 CO 0.00 0.00 0.00 0.39 -1.83 0.00 0.00 177.06 175.62 1jxs n GLU 69 N -0.79 1.64 -2.78 2.61 1.02 -1.26 -5.09 120.64 115.98 1jxs n GLU 69 Ca 0.60 -3.48 -0.40 0.00 -0.02 0.00 0.00 57.16 53.86 1jxs n GLU 69 Cb 0.52 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.38 1jxs n GLU 69 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1jxs s GLU 70 N -3.44 4.78 0.04 3.49 8.01 -1.26 -4.96 118.70 125.36 1jxs s GLU 70 Ca 0.29 1.43 -0.15 0.00 0.01 0.00 0.00 54.97 56.56 1jxs s GLU 70 Cb 0.40 -3.30 -0.34 0.00 -4.31 0.00 0.00 34.13 26.58 1jxs s GLU 70 CO -0.01 0.47 1.03 -1.00 0.01 0.00 0.00 175.26 175.77 1jxs h PRO 71 N 4.46 0.54 0.00 0.39 0.13 -1.99 -3.47 132.00 132.06 1jxs h PRO 71 Ca -0.45 -0.88 0.00 0.00 -0.87 0.00 0.00 66.00 63.80 1jxs h PRO 71 Cb 1.20 0.32 0.00 0.00 0.13 0.00 0.00 31.00 32.65 1jxs h PRO 71 CO 0.68 1.42 0.00 0.41 -0.23 0.00 0.00 178.00 180.28 1jxs n GLY 72 N 1.64 2.49 3.36 1.56 0.00 -1.26 -5.18 105.19 107.80 1jxs n GLY 72 Ca -0.16 -0.14 -0.11 0.00 0.00 0.00 0.00 46.02 45.62 1jxs n GLY 72 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jxs s LYS 73 N 3.26 1.15 -0.97 1.61 -2.85 -1.26 -4.98 119.74 115.71 1jxs s LYS 73 Ca 0.00 -0.67 -0.11 0.00 -1.00 0.00 0.00 55.97 54.18 1jxs s LYS 73 Cb 0.00 0.50 -0.00 0.00 -2.06 0.00 0.00 37.83 36.27 1jxs s LYS 73 CO 0.00 -0.47 0.71 0.41 0.10 0.00 0.00 175.35 176.10 1jxs n GLY 74 N -0.27 -1.13 3.63 0.59 0.00 -1.26 -4.98 105.19 101.76 1jxs n GLY 74 Ca -0.16 0.50 -0.24 0.00 0.00 0.00 0.00 46.02 46.12 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 -3.23 4.18 0.00 1.61 0.01 -1.26 -5.04 113.70 109.97 1jxs s SER 75 Ca 0.24 -0.97 0.00 0.00 1.31 0.00 0.00 55.95 56.53 1jxs s SER 75 Cb -0.09 -0.54 0.00 0.00 0.21 0.00 0.00 66.02 65.60 1jxs s SER 75 CO 0.86 -0.22 0.00 2.22 0.41 0.00 0.00 173.24 176.51 1jxs n PHE 76 N -0.94 0.00 -2.51 2.43 1.16 -1.26 -4.90 117.46 111.44 1jxs n PHE 76 Ca -0.04 0.00 -0.40 0.00 -1.87 0.00 0.00 57.45 55.13 1jxs n PHE 76 Cb 0.62 0.00 -0.03 0.00 -1.61 0.00 0.00 39.48 38.46 1jxs n PHE 76 CO 0.00 0.00 0.00 -1.58 -1.87 0.00 0.00 176.76 173.31 1jxs s TRP 77 N 2.04 2.30 0.03 2.97 0.52 0.36 -2.89 118.94 124.27 1jxs s TRP 77 Ca 0.00 -0.20 -0.05 0.00 0.02 0.00 0.00 56.10 55.87 1jxs s TRP 77 Cb 0.00 -4.60 -0.05 0.00 -1.15 0.00 0.00 33.47 27.67 1jxs s TRP 77 CO 0.00 -2.05 0.27 1.03 0.02 0.00 0.00 176.95 176.22 1jxs s ARG 78 N 5.64 3.56 -0.08 4.98 0.52 -1.20 -1.87 118.95 130.50 1jxs s ARG 78 Ca 0.41 -0.14 -0.07 0.00 -0.52 0.00 0.00 55.73 55.41 1jxs s ARG 78 Cb -0.06 -3.04 -0.04 0.00 0.52 0.00 0.00 34.95 32.33 1jxs s ARG 78 CO 0.08 0.62 0.18 -1.50 0.02 0.00 0.00 175.30 174.70 1jxs s ILE 79 N -1.38 5.44 0.97 1.52 1.10 -1.14 0.80 121.20 128.51 1jxs s ILE 79 Ca 0.30 0.19 -0.15 0.00 -0.51 0.00 0.00 60.65 60.48 1jxs s ILE 79 Cb -0.13 -3.47 0.18 0.00 0.15 0.00 0.00 42.46 39.20 1jxs s ILE 79 CO 0.19 0.54 1.22 -1.81 -2.11 0.00 0.00 174.94 172.97 1jxs s ASP 80 N -1.27 3.05 0.32 4.50 1.11 -1.18 -4.88 116.67 118.33 1jxs s ASP 80 Ca 0.19 0.56 0.16 0.00 0.18 0.00 0.00 52.55 53.64 1jxs s ASP 80 Cb -0.13 -0.82 0.43 0.00 1.07 0.00 0.00 42.92 43.48 1jxs s ASP 80 CO 0.09 -2.80 1.62 1.55 1.18 0.00 0.00 175.17 176.81 1jxs h PRO 81 N -1.68 0.00 -1.01 8.23 0.13 -1.98 -3.14 132.00 132.56 1jxs h PRO 81 Ca -0.46 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.06 1jxs h PRO 81 Cb 1.28 0.00 -0.37 0.00 0.13 0.00 0.00 31.00 32.04 1jxs h PRO 81 CO 0.47 0.49 -0.15 0.00 -0.23 0.00 0.00 178.00 178.58 1jxs n ALA 82 N -2.30 5.54 0.01 -0.56 0.00 -1.26 -4.61 120.51 117.33 1jxs n ALA 82 Ca 0.00 -3.78 0.00 0.00 0.00 0.00 0.00 53.44 49.66 1jxs n ALA 82 Cb 0.61 -0.91 0.00 0.00 0.00 0.00 0.00 19.45 19.14 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 -0.74 0.00 0.00 0.00 7.64 -1.19 -4.82 113.62 114.52 1jxs n SER 83 Ca 0.50 0.03 0.00 0.00 1.01 0.00 0.00 58.87 60.41 1jxs n SER 83 Cb 0.79 0.02 0.00 0.00 -1.01 0.00 0.00 64.21 64.00 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 -2.66 0.00 -0.08 1.43 0.00 -1.21 -0.12 120.64 118.00 1jxs n GLU 84 Ca 0.00 0.68 0.19 0.00 0.00 0.00 0.00 57.16 58.03 1jxs n GLU 84 Cb 0.10 -1.33 0.30 0.00 0.00 0.00 0.00 31.44 30.51 1jxs n GLU 84 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.13 177.56 1jxs n SER 85 N -2.06 0.00 -0.06 4.31 7.64 -1.26 -0.63 113.62 121.55 1jxs n SER 85 Ca 0.00 0.63 -0.05 0.00 1.01 0.00 0.00 58.87 60.46 1jxs n SER 85 Cb 0.00 -0.18 -0.04 0.00 -1.01 0.00 0.00 64.21 62.98 1jxs n SER 85 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1jxs h LYS 86 N 0.00 0.00 0.00 1.43 1.57 -0.84 -3.36 116.57 115.37 1jxs h LYS 86 Ca 0.34 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.10 1jxs h LYS 86 Cb 2.45 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 34.76 1jxs h LYS 86 CO -0.00 0.28 -0.09 1.37 -0.57 0.00 0.00 179.45 180.43 1jxs h LEU 87 N -1.00 0.00 -2.61 2.94 -0.00 -0.04 -1.29 115.31 113.31 1jxs h LEU 87 Ca -0.02 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.86 1jxs h LEU 87 Cb 0.37 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.03 1jxs h LEU 87 CO -0.01 0.09 -0.01 0.16 -0.00 0.00 0.00 178.44 178.66 1jxs h ILE 88 N 0.00 0.19 0.00 0.15 -2.65 -1.40 0.86 117.51 114.66 1jxs h ILE 88 Ca -0.00 -0.11 -0.23 0.00 1.03 0.00 0.00 64.86 65.55 1jxs h ILE 88 Cb 0.21 1.08 -0.04 0.00 -2.05 0.00 0.00 36.82 36.02 1jxs h ILE 88 CO 0.01 0.01 -1.42 -0.08 0.03 0.00 0.00 178.15 176.71 1jxs h GLU 89 N 0.00 0.00 0.00 0.16 4.81 -1.38 -1.83 114.58 116.35 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 0.08 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.46 1jxs h GLU 89 CO 0.00 0.52 -0.47 0.37 -0.73 0.00 0.00 179.01 178.70 1jxs h GLN 90 N 0.00 0.00 0.00 1.92 5.75 -1.12 -3.32 115.11 118.34 1jxs h GLN 90 Ca -0.18 0.00 -0.44 0.00 -0.15 0.00 0.00 58.65 57.87 1jxs h GLN 90 Cb 1.81 0.00 -0.07 0.00 1.07 0.00 0.00 27.48 30.29 1jxs h GLN 90 CO 0.08 0.00 -2.51 0.00 -2.65 0.00 0.00 178.83 173.75 1jxs n ALA 91 N -1.91 1.28 0.31 3.38 0.00 0.14 -4.24 120.51 119.47 1jxs n ALA 91 Ca 0.03 -1.08 0.15 0.00 0.00 0.00 0.00 53.44 52.54 1jxs n ALA 91 Cb 0.47 0.11 0.75 0.00 0.00 0.00 0.00 19.45 20.78 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 -0.82 0.00 -0.02 0.00 0.04 -1.50 -3.39 116.94 111.26 1jxs h PHE 92 Ca -0.67 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.10 1jxs h PHE 92 Cb 1.65 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.80 1jxs h PHE 92 CO -0.07 0.00 0.00 0.54 -0.60 0.00 0.00 178.31 178.18 1jxs n ARG 93 N -2.94 2.52 -0.99 1.51 5.12 -1.25 -5.08 116.66 115.55 1jxs n ARG 93 Ca -0.01 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.91 1jxs n ARG 93 Cb 0.46 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.76 1jxs n ARG 93 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 1jxs n LYS 94 N 0.00 1.49 -3.69 5.56 5.02 -1.26 -5.07 118.16 120.21 1jxs n LYS 94 Ca 0.00 0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 55.93 1jxs n LYS 94 Cb 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 35.03 34.92 1jxs n LYS 94 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1jxs s ARG 95 N -0.48 4.14 0.09 1.97 3.52 -1.26 -4.78 118.95 122.14 1jxs s ARG 95 Ca 0.00 -0.23 0.00 0.00 -0.13 0.00 0.00 55.73 55.37 1jxs s ARG 95 Cb 0.00 -3.48 0.00 0.00 -1.56 0.00 0.00 34.95 29.91 1jxs s ARG 95 CO 0.00 0.19 0.00 0.54 -0.81 0.00 0.00 175.30 175.22 1jxs n ARG 96 N 3.88 0.00 -2.48 5.12 1.74 -1.26 -5.08 116.66 118.58 1jxs n ARG 96 Ca -0.15 0.00 -0.43 0.00 -0.77 0.00 0.00 57.85 56.50 1jxs n ARG 96 Cb 0.52 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 31.94 1jxs n ARG 96 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1jxs s PRO 97 N -2.00 3.92 0.00 5.56 0.04 -1.26 -5.26 135.00 136.00 1jxs s PRO 97 Ca 0.00 1.16 0.00 0.00 0.04 0.00 0.00 61.00 62.20 1jxs s PRO 97 Cb 0.00 -3.86 0.00 0.00 0.04 0.00 0.00 34.50 30.68 1jxs s PRO 97 CO 0.00 -1.10 0.26 2.89 0.04 0.00 0.00 177.00 179.08