#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 7.43 0.00 -2.24 7.64 -1.26 -4.61 113.62 120.58 1jxs n SER 2 Ca 0.00 -3.76 -0.18 0.00 1.01 0.00 0.00 58.87 55.94 1jxs n SER 2 Cb 0.00 -1.08 -0.11 0.00 -1.01 0.00 0.00 64.21 62.01 1jxs n SER 2 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 1jxs h LYS 3 N 2.93 0.47 -6.73 1.43 3.64 -2.00 -3.39 116.57 112.92 1jxs h LYS 3 Ca 0.55 -0.48 -0.50 0.00 -1.27 0.00 0.00 60.65 58.95 1jxs h LYS 3 Cb 0.15 0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.08 1jxs h LYS 3 CO 1.38 1.13 0.37 -1.25 -2.27 0.00 0.00 179.45 178.81 1jxs s PRO 4 N -3.29 4.81 0.21 1.90 0.04 -1.26 -5.06 135.00 132.35 1jxs s PRO 4 Ca -0.13 1.52 -0.04 0.00 0.04 0.00 0.00 61.00 62.40 1jxs s PRO 4 Cb 0.04 -3.28 0.05 0.00 0.04 0.00 0.00 34.50 31.35 1jxs s PRO 4 CO 0.84 0.44 0.28 -0.35 0.04 0.00 0.00 177.00 178.24 1jxs n PRO 5 N 1.66 -0.34 -0.85 0.56 -0.04 -1.26 -5.07 135.00 129.66 1jxs n PRO 5 Ca -0.01 -0.43 0.00 0.00 -0.04 0.00 0.00 63.50 63.01 1jxs n PRO 5 Cb 0.47 -0.29 0.00 0.00 -0.04 0.00 0.00 33.50 33.64 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 -2.42 -0.72 -2.35 0.54 4.01 -1.26 -5.09 117.16 109.86 1jxs n TYR 6 Ca 0.04 0.00 -0.32 0.00 -0.16 0.00 0.00 57.90 57.45 1jxs n TYR 6 Cb 0.12 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.13 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 -0.49 6.46 0.00 7.72 0.01 -1.26 -4.88 113.70 121.26 1jxs s SER 7 Ca 0.00 1.63 0.13 0.00 1.31 0.00 0.00 55.95 59.03 1jxs s SER 7 Cb 0.00 -2.52 0.63 0.00 0.21 0.00 0.00 66.02 64.35 1jxs s SER 7 CO 0.00 -0.70 1.39 -1.22 0.41 0.00 0.00 173.24 173.12 1jxs n TYR 8 N -1.61 0.00 0.84 2.43 4.01 -1.26 -1.41 117.16 120.16 1jxs n TYR 8 Ca 0.07 0.00 0.11 0.00 -0.16 0.00 0.00 57.90 57.92 1jxs n TYR 8 Cb 0.54 -0.38 -0.03 0.00 -0.31 0.00 0.00 39.34 39.16 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 -1.38 4.13 -0.11 -0.72 0.00 -1.26 -4.34 120.51 116.83 1jxs n ALA 9 Ca 0.05 -0.51 -0.14 0.00 0.00 0.00 0.00 53.44 52.84 1jxs n ALA 9 Cb 0.13 -0.87 -0.13 0.00 0.00 0.00 0.00 19.45 18.58 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 -1.64 0.70 0.12 0.00 6.02 -0.50 -4.04 117.38 118.04 1jxs n GLN 10 Ca 0.03 0.08 0.07 0.00 -0.01 0.00 0.00 57.00 57.18 1jxs n GLN 10 Cb 0.37 -1.50 0.38 0.00 1.02 0.00 0.00 30.24 30.51 1jxs n GLN 10 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1jxs n LEU 11 N -3.03 0.36 -0.05 1.08 4.77 -0.90 -0.68 117.00 118.55 1jxs n LEU 11 Ca -0.39 0.63 -0.20 0.00 -0.03 0.00 0.00 56.01 56.02 1jxs n LEU 11 Cb 1.03 -0.66 -0.13 0.00 -2.33 0.00 0.00 43.42 41.33 1jxs n LEU 11 CO 0.31 -0.76 -1.03 -0.38 -1.33 0.00 0.00 177.39 174.21 1jxs n ILE 12 N -1.99 1.66 0.10 -0.08 5.41 -1.26 -4.18 119.36 119.03 1jxs n ILE 12 Ca -0.01 -0.62 -0.12 0.00 1.00 0.00 0.00 62.75 63.00 1jxs n ILE 12 Cb 0.10 -1.61 -0.06 0.00 -0.71 0.00 0.00 39.64 37.36 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 0.64 0.00 1.39 2.07 -1.04 -1.44 116.25 117.91 1jxs h VAL 13 Ca -0.49 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.03 1jxs h VAL 13 Cb 1.98 0.64 0.00 0.00 -1.52 0.00 0.00 31.29 32.39 1jxs h VAL 13 CO 0.01 0.00 0.00 1.67 0.02 0.00 0.00 177.57 179.27 1jxs n GLN 14 N -5.28 0.03 -0.07 1.57 -0.06 -0.71 -1.68 117.38 111.18 1jxs n GLN 14 Ca -0.07 0.33 -0.07 0.00 -2.00 0.00 0.00 57.00 55.20 1jxs n GLN 14 Cb 0.20 -1.50 -0.15 0.00 -4.06 0.00 0.00 30.24 24.73 1jxs n GLN 14 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1jxs n ALA 15 N -1.39 1.68 0.01 1.69 0.00 -0.58 -3.87 120.51 118.05 1jxs n ALA 15 Ca 0.02 -1.11 -0.01 0.00 0.00 0.00 0.00 53.44 52.34 1jxs n ALA 15 Cb 0.04 -0.39 -0.00 0.00 0.00 0.00 0.00 19.45 19.09 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 -0.75 0.00 5.03 -0.91 0.89 117.51 121.76 1jxs h ILE 16 Ca -0.42 -0.25 0.16 0.00 -0.12 0.00 0.00 64.86 64.23 1jxs h ILE 16 Cb 2.03 0.00 -0.14 0.00 -3.03 0.00 0.00 36.82 35.67 1jxs h ILE 16 CO 0.03 0.00 -0.15 0.71 -0.68 0.00 0.00 178.15 178.06 1jxs h THR 17 N -0.30 0.26 -0.34 -0.27 1.35 -1.77 0.48 112.91 112.33 1jxs h THR 17 Ca -0.01 -0.01 -0.12 0.00 -0.55 0.00 0.00 66.41 65.73 1jxs h THR 17 Cb 0.04 0.24 -0.01 0.00 -1.73 0.00 0.00 68.15 66.69 1jxs h THR 17 CO 0.01 0.00 -0.27 -0.03 -0.25 0.00 0.00 175.52 174.98 1jxs h MET 18 N 0.02 0.70 -6.57 4.72 1.85 -1.70 -3.40 114.93 110.54 1jxs h MET 18 Ca 0.37 -0.29 -0.49 0.00 -0.61 0.00 0.00 59.70 58.68 1jxs h MET 18 Cb 0.59 -0.03 0.23 0.00 0.43 0.00 0.00 31.60 32.83 1jxs h MET 18 CO -0.76 0.89 -1.22 0.00 -0.40 0.00 0.00 176.91 175.43 1jxs n ALA 19 N -2.50 -4.06 -2.48 0.39 0.00 0.17 -4.81 120.51 107.21 1jxs n ALA 19 Ca -0.00 -1.08 -0.41 0.00 0.00 0.00 0.00 53.44 51.94 1jxs n ALA 19 Cb 0.45 -1.47 -0.03 0.00 0.00 0.00 0.00 19.45 18.40 1jxs n ALA 19 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1jxs s PRO 20 N -3.21 3.31 0.00 0.00 0.04 -1.26 -3.04 135.00 130.84 1jxs s PRO 20 Ca 0.53 0.19 0.00 0.00 0.04 0.00 0.00 61.00 61.76 1jxs s PRO 20 Cb -0.12 -4.12 0.00 0.00 0.04 0.00 0.00 34.50 30.31 1jxs s PRO 20 CO 0.68 -1.95 0.00 -3.47 0.04 0.00 0.00 177.00 172.29 1jxs n ASP 21 N 9.29 -1.78 -1.39 6.66 2.03 -1.26 -3.78 116.55 126.33 1jxs n ASP 21 Ca 0.09 0.00 -0.13 0.00 0.52 0.00 0.00 54.79 55.27 1jxs n ASP 21 Cb 0.49 -0.30 -0.01 0.00 -0.72 0.00 0.00 41.12 40.58 1jxs n ASP 21 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1jxs n LYS 22 N -2.59 -1.00 -4.27 -0.67 5.02 -1.17 -4.95 118.16 108.52 1jxs n LYS 22 Ca 0.00 0.66 -0.17 0.00 -2.02 0.00 0.00 58.31 56.78 1jxs n LYS 22 Cb 0.00 -4.85 -0.14 0.00 -0.02 0.00 0.00 35.03 30.02 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 -4.44 0.65 0.31 1.97 -1.52 -1.25 -2.95 119.66 112.44 1jxs s GLN 23 Ca 0.00 -0.41 -0.19 0.00 -1.95 0.00 0.00 55.36 52.81 1jxs s GLN 23 Cb 0.00 -0.61 0.04 0.00 -0.22 0.00 0.00 33.01 32.22 1jxs s GLN 23 CO 0.00 0.16 0.77 -0.48 -0.25 0.00 0.00 175.29 175.49 1jxs s LEU 24 N -0.50 -0.14 0.15 2.90 -0.00 -1.13 -4.03 118.68 115.92 1jxs s LEU 24 Ca 0.01 -0.81 0.04 0.00 -0.00 0.00 0.00 54.13 53.37 1jxs s LEU 24 Cb -0.05 2.72 -0.04 0.00 -0.00 0.00 0.00 46.19 48.83 1jxs s LEU 24 CO 0.00 -1.45 0.14 0.42 -0.00 0.00 0.00 176.35 175.46 1jxs s THR 25 N -3.18 4.58 0.56 5.48 -4.23 -1.26 -1.34 115.64 116.26 1jxs s THR 25 Ca 0.13 -0.98 0.50 0.00 -1.18 0.00 0.00 61.69 60.17 1jxs s THR 25 Cb -0.05 -3.32 0.74 0.00 1.34 0.00 0.00 72.50 71.21 1jxs s THR 25 CO 0.08 -0.06 1.56 0.25 -0.54 0.00 0.00 174.62 175.91 1jxs h LEU 26 N 2.56 0.00 -1.12 4.79 6.46 -1.93 1.54 115.31 127.60 1jxs h LEU 26 Ca -0.47 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.29 1jxs h LEU 26 Cb 1.19 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.12 1jxs h LEU 26 CO 0.64 0.00 0.00 -3.20 -0.62 0.00 0.00 178.44 175.26 1jxs n ASN 27 N -3.91 0.90 -0.10 1.25 4.05 -1.26 -3.52 115.26 112.68 1jxs n ASN 27 Ca 0.44 -1.44 -0.14 0.00 0.45 0.00 0.00 54.58 53.89 1jxs n ASN 27 Cb 2.02 -0.36 -0.05 0.00 1.23 0.00 0.00 39.78 42.62 1jxs n ASN 27 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1jxs n GLY 28 N 0.20 -0.51 0.23 8.20 0.00 0.52 -3.45 105.19 110.39 1jxs n GLY 28 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.98 0.69 0.12 -0.61 1.08 -1.75 1.34 117.51 117.41 1jxs h ILE 29 Ca -0.18 -0.11 -0.01 0.00 -0.39 0.00 0.00 64.86 64.17 1jxs h ILE 29 Cb 1.14 0.35 0.00 0.00 -3.07 0.00 0.00 36.82 35.24 1jxs h ILE 29 CO -0.11 0.06 -0.06 1.88 -0.69 0.00 0.00 178.15 179.23 1jxs h TYR 30 N 0.32 -0.15 0.00 1.37 0.05 -1.79 -1.04 116.97 115.73 1jxs h TYR 30 Ca 0.31 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.09 1jxs h TYR 30 Cb 0.44 0.05 0.00 0.00 1.01 0.00 0.00 36.73 38.23 1jxs h TYR 30 CO -0.21 0.06 0.00 2.41 -1.05 0.00 0.00 178.16 179.36 1jxs n THR 31 N -5.08 0.00 -0.02 -2.88 -1.04 -0.76 -3.46 114.28 101.04 1jxs n THR 31 Ca -0.08 0.00 -0.02 0.00 -2.04 0.00 0.00 64.05 61.90 1jxs n THR 31 Cb 0.16 -0.28 -0.01 0.00 -1.82 0.00 0.00 70.33 68.38 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 -0.77 0.00 -0.39 -1.42 -0.00 0.45 -4.16 115.22 108.94 1jxs n HIS 32 Ca 0.12 0.00 0.33 0.00 -0.00 0.00 0.00 57.72 58.18 1jxs n HIS 32 Cb 0.06 -0.14 0.60 0.00 -0.00 0.00 0.00 29.99 30.51 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 -0.27 0.09 0.24 3.57 -0.00 -1.34 0.70 117.51 120.49 1jxs h ILE 33 Ca 0.00 -0.03 0.00 0.00 -0.00 0.00 0.00 64.86 64.83 1jxs h ILE 33 Cb 0.27 0.00 -0.02 0.00 -0.00 0.00 0.00 36.82 37.08 1jxs h ILE 33 CO 0.00 0.02 -0.22 0.71 -0.00 0.00 0.00 178.15 178.66 1jxs h THR 34 N 0.08 0.52 -0.00 2.19 1.35 -1.78 0.15 112.91 115.43 1jxs h THR 34 Ca 0.83 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.69 1jxs h THR 34 Cb 2.34 0.52 -0.00 0.00 -1.73 0.00 0.00 68.15 69.29 1jxs h THR 34 CO -0.58 0.00 0.03 0.50 -0.25 0.00 0.00 175.52 175.22 1jxs h LYS 35 N -0.48 0.00 0.00 4.72 3.64 0.21 -3.26 116.57 121.39 1jxs h LYS 35 Ca -0.01 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1jxs h LYS 35 Cb 0.44 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.26 1jxs h LYS 35 CO -0.04 0.00 0.00 0.09 -2.27 0.00 0.00 179.45 177.23 1jxs n ASN 36 N -3.10 0.00 -4.41 4.20 3.02 0.38 -4.93 115.26 110.43 1jxs n ASN 36 Ca -0.03 0.01 -0.29 0.00 -0.03 0.00 0.00 54.58 54.24 1jxs n ASN 36 Cb 0.10 0.00 0.18 0.00 -0.61 0.00 0.00 39.78 39.45 1jxs n ASN 36 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1jxs s TYR 37 N -0.02 1.74 -0.00 3.10 2.02 -0.38 -5.02 117.35 118.79 1jxs s TYR 37 Ca 0.00 0.70 -0.00 0.00 -0.37 0.00 0.00 57.07 57.40 1jxs s TYR 37 Cb 0.00 -3.49 -0.00 0.00 -0.40 0.00 0.00 41.96 38.07 1jxs s TYR 37 CO 0.00 -2.94 0.17 -1.00 -1.57 0.00 0.00 175.55 170.21 1jxs h PRO 38 N -1.90 -0.01 -5.92 -1.71 0.13 -1.79 -3.43 132.00 117.37 1jxs h PRO 38 Ca -0.49 0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 64.02 1jxs h PRO 38 Cb 1.31 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.39 1jxs h PRO 38 CO 0.50 -0.01 -0.36 1.52 -0.23 0.00 0.00 178.00 179.43 1jxs s TYR 39 N -1.37 3.59 0.00 1.56 -0.85 -1.26 -4.96 117.35 114.06 1jxs s TYR 39 Ca -0.00 0.63 0.00 0.00 -0.52 0.00 0.00 57.07 57.18 1jxs s TYR 39 Cb 0.00 -2.03 0.00 0.00 0.38 0.00 0.00 41.96 40.31 1jxs s TYR 39 CO 0.00 0.61 0.00 0.66 -1.52 0.00 0.00 175.55 175.31 1jxs n TYR 40 N 1.23 0.00 0.11 -3.49 4.01 -1.26 -5.01 117.16 112.75 1jxs n TYR 40 Ca -0.12 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.62 1jxs n TYR 40 Cb 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.56 1jxs n TYR 40 CO 0.00 0.00 0.00 -2.13 -0.46 0.00 0.00 176.86 174.27 1jxs n ARG 41 N 0.00 0.00 -1.78 -0.72 0.63 -1.26 -4.64 116.66 108.89 1jxs n ARG 41 Ca 0.00 0.00 -0.38 0.00 -0.92 0.00 0.00 57.85 56.55 1jxs n ARG 41 Cb 0.00 0.00 0.04 0.00 0.45 0.00 0.00 32.46 32.95 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 -3.22 3.58 0.00 5.15 -1.04 -1.26 -4.30 114.28 113.19 1jxs n THR 42 Ca 0.00 -3.96 0.00 0.00 -2.04 0.00 0.00 64.05 58.05 1jxs n THR 42 Cb 0.00 -1.24 0.00 0.00 -1.82 0.00 0.00 70.33 67.27 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 -0.53 0.00 -3.97 2.41 0.00 -1.26 -5.08 120.51 112.09 1jxs n ALA 43 Ca 0.55 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.68 1jxs n ALA 43 Cb 0.33 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.62 1jxs n ALA 43 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1jxs s ASP 44 N -1.00 4.14 0.00 0.00 1.11 -1.26 -4.95 116.67 114.71 1jxs s ASP 44 Ca 0.00 -1.41 0.23 0.00 0.18 0.00 0.00 52.55 51.56 1jxs s ASP 44 Cb 0.00 -1.31 0.48 0.00 1.07 0.00 0.00 42.92 43.16 1jxs s ASP 44 CO 0.00 -0.26 1.43 1.17 1.18 0.00 0.00 175.17 178.69 1jxs n LYS 45 N 4.57 2.53 0.17 8.23 4.81 -1.26 -4.19 118.16 133.02 1jxs n LYS 45 Ca -0.09 -2.32 0.13 0.00 -0.87 0.00 0.00 58.31 55.15 1jxs n LYS 45 Cb 0.43 -1.52 0.37 0.00 0.02 0.00 0.00 35.03 34.33 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 4.53 0.00 -1.25 3.14 0.00 -1.98 -2.98 103.07 104.52 1jxs h GLY 46 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1jxs h GLY 46 CO 0.00 0.00 -0.12 -2.67 0.00 0.00 0.00 176.54 173.75 1jxs n TRP 47 N -2.67 0.00 0.00 5.60 4.27 -1.26 -4.02 117.44 119.35 1jxs n TRP 47 Ca 0.04 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.65 1jxs n TRP 47 Cb 0.42 -0.01 0.00 0.00 -1.36 0.00 0.00 31.31 30.36 1jxs n TRP 47 CO 0.00 0.00 0.00 1.04 -2.29 0.00 0.00 177.69 176.44 1jxs n GLN 48 N 0.65 0.00 0.13 -2.67 1.13 -1.13 -3.35 117.38 112.14 1jxs n GLN 48 Ca 0.14 0.09 0.10 0.00 -1.94 0.00 0.00 57.00 55.39 1jxs n GLN 48 Cb 0.50 -0.93 0.48 0.00 0.11 0.00 0.00 30.24 30.40 1jxs n GLN 48 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1jxs n ASN 49 N -0.78 0.50 0.18 1.08 4.13 -1.26 -2.06 115.26 117.05 1jxs n ASN 49 Ca 0.00 0.69 0.06 0.00 1.68 0.00 0.00 54.58 57.01 1jxs n ASN 49 Cb 0.00 -0.77 0.56 0.00 -1.54 0.00 0.00 39.78 38.02 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 0.13 0.00 6.41 0.87 -1.69 -2.57 113.55 116.70 1jxs h SER 50 Ca 0.00 -0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.55 1jxs h SER 50 Cb 0.12 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.04 1jxs h SER 50 CO 0.00 0.13 -0.00 0.40 -0.53 0.00 0.00 176.83 176.83 1jxs h ILE 51 N 0.15 1.64 -0.03 2.23 1.08 -1.43 -3.13 117.51 118.03 1jxs h ILE 51 Ca 0.04 -1.97 0.01 0.00 -0.39 0.00 0.00 64.86 62.55 1jxs h ILE 51 Cb 0.04 2.97 -0.00 0.00 -3.07 0.00 0.00 36.82 36.76 1jxs h ILE 51 CO -0.00 0.51 0.32 -0.09 -0.69 0.00 0.00 178.15 178.19 1jxs h ARG 52 N -0.85 0.00 -0.01 2.37 2.43 -1.64 0.21 114.38 116.89 1jxs h ARG 52 Ca -0.00 0.00 -0.22 0.00 -0.81 0.00 0.00 59.98 58.94 1jxs h ARG 52 Cb 0.83 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.39 1jxs h ARG 52 CO 0.00 0.00 -0.93 1.25 -1.51 0.00 0.00 179.97 178.78 1jxs h HIS 53 N 0.00 0.62 -0.32 2.20 2.76 -1.40 -3.01 115.15 116.00 1jxs h HIS 53 Ca 0.01 -0.34 0.00 0.00 -2.20 0.00 0.00 60.37 57.85 1jxs h HIS 53 Cb 0.65 -0.07 0.00 0.00 1.55 0.00 0.00 27.41 29.54 1jxs h HIS 53 CO 0.00 1.15 0.00 0.09 -1.30 0.00 0.00 177.93 177.87 1jxs n ASN 54 N -3.75 1.89 -0.00 3.26 4.13 0.70 -3.25 115.26 118.24 1jxs n ASN 54 Ca -0.07 -2.05 0.11 0.00 1.68 0.00 0.00 54.58 54.26 1jxs n ASN 54 Cb 0.83 -0.26 -0.16 0.00 -1.54 0.00 0.00 39.78 38.65 1jxs n ASN 54 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1jxs n LEU 55 N 0.44 0.09 -0.09 3.41 7.99 -1.01 -3.63 117.00 124.19 1jxs n LEU 55 Ca 0.11 -0.01 -0.10 0.00 -0.01 0.00 0.00 56.01 56.01 1jxs n LEU 55 Cb 0.32 -0.00 -0.03 0.00 -0.11 0.00 0.00 43.42 43.59 1jxs n LEU 55 CO 0.08 0.00 -0.70 -0.24 -1.51 0.00 0.00 177.39 175.03 1jxs n SER 56 N -2.25 1.92 -0.19 -1.43 2.88 -1.22 -4.48 113.62 108.85 1jxs n SER 56 Ca -0.03 0.33 0.00 0.00 -1.33 0.00 0.00 58.87 57.84 1jxs n SER 56 Cb 0.56 -0.73 0.10 0.00 -0.75 0.00 0.00 64.21 63.39 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 -0.98 -0.03 -8.15 2.46 5.85 -1.80 -3.18 115.31 109.47 1jxs h LEU 57 Ca -0.03 0.11 -0.64 0.00 0.84 0.00 0.00 57.88 58.16 1jxs h LEU 57 Cb 1.00 0.16 -0.15 0.00 0.37 0.00 0.00 40.66 42.05 1jxs h LEU 57 CO -0.02 -0.01 0.74 0.20 -0.34 0.00 0.00 178.44 179.01 1jxs s ASN 58 N -5.29 6.35 0.00 1.25 0.01 -1.24 -4.84 114.94 111.18 1jxs s ASN 58 Ca -0.13 -1.36 0.15 0.00 -0.71 0.00 0.00 52.86 50.80 1jxs s ASN 58 Cb 0.18 -2.43 0.87 0.00 0.41 0.00 0.00 41.25 40.27 1jxs s ASN 58 CO 0.74 -1.34 1.31 0.54 -1.51 0.00 0.00 177.10 176.84 1jxs n ARG 59 N 7.47 0.59 -0.48 -0.60 1.74 -1.21 -3.58 116.66 120.60 1jxs n ARG 59 Ca 0.09 0.00 0.40 0.00 -0.77 0.00 0.00 57.85 57.56 1jxs n ARG 59 Cb 0.47 -1.38 0.68 0.00 -1.02 0.00 0.00 32.46 31.21 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 0.47 -3.33 -1.55 0.05 -1.88 -3.10 116.97 107.63 1jxs h TYR 60 Ca 0.00 0.02 -0.72 0.00 0.05 0.00 0.00 58.73 58.08 1jxs h TYR 60 Cb 0.00 -0.11 -0.30 0.00 1.01 0.00 0.00 36.73 37.33 1jxs h TYR 60 CO 0.00 -0.22 -0.42 -0.06 -1.05 0.00 0.00 178.16 176.41 1jxs s PHE 61 N -5.25 3.43 -1.01 4.88 0.40 -1.23 -2.92 117.98 116.28 1jxs s PHE 61 Ca -0.07 -1.89 -0.23 0.00 -0.60 0.00 0.00 56.93 54.14 1jxs s PHE 61 Cb 0.30 -3.41 0.03 0.00 0.51 0.00 0.00 43.02 40.45 1jxs s PHE 61 CO 0.83 -0.98 1.56 0.96 0.70 0.00 0.00 175.22 178.30 1jxs s ILE 62 N 1.35 3.83 0.03 0.64 -4.36 0.14 -4.57 121.20 118.26 1jxs s ILE 62 Ca 0.06 -0.72 -0.30 0.00 -0.26 0.00 0.00 60.65 59.42 1jxs s ILE 62 Cb -0.26 -4.85 -0.04 0.00 1.25 0.00 0.00 42.46 38.56 1jxs s ILE 62 CO -0.01 -1.73 1.08 -0.75 0.24 0.00 0.00 174.94 173.77 1jxs s LYS 63 N 5.37 4.50 0.19 0.37 2.36 -1.25 -3.24 119.74 128.05 1jxs s LYS 63 Ca 0.51 1.58 -0.09 0.00 -2.55 0.00 0.00 55.97 55.42 1jxs s LYS 63 Cb -0.01 -3.41 -0.07 0.00 -1.05 0.00 0.00 37.83 33.29 1jxs s LYS 63 CO -0.07 -0.14 0.50 0.14 1.55 0.00 0.00 175.35 177.33 1jxs s VAL 64 N 1.01 4.99 0.78 4.02 -7.23 -1.11 -4.90 120.40 117.95 1jxs s VAL 64 Ca 0.55 0.41 -0.12 0.00 -1.81 0.00 0.00 61.98 61.02 1jxs s VAL 64 Cb -0.25 -3.63 0.06 0.00 0.56 0.00 0.00 36.38 33.12 1jxs s VAL 64 CO 0.29 0.01 1.13 -2.16 -0.31 0.00 0.00 175.10 174.06 1jxs s PRO 65 N -2.63 2.26 0.00 4.82 0.04 -1.26 -3.91 135.00 134.33 1jxs s PRO 65 Ca 0.44 0.32 0.00 0.00 0.04 0.00 0.00 61.00 61.80 1jxs s PRO 65 Cb -0.12 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.45 1jxs s PRO 65 CO 0.21 -1.43 0.00 -2.13 0.04 0.00 0.00 177.00 173.70 1jxs n ARG 66 N -3.25 3.39 0.00 4.56 3.00 -1.24 -4.92 116.66 118.21 1jxs n ARG 66 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.92 1jxs n ARG 66 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.05 1jxs n ARG 66 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1jxs n SER 67 N 0.00 0.00 -3.65 6.15 2.88 -1.26 -4.10 113.62 113.64 1jxs n SER 67 Ca 0.00 0.22 -0.33 0.00 -1.33 0.00 0.00 58.87 57.43 1jxs n SER 67 Cb 0.00 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.41 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 -0.31 3.21 -3.13 -1.46 7.27 -1.26 -4.94 117.38 116.76 1jxs n GLN 68 Ca 0.00 -4.63 -0.00 0.00 0.07 0.00 0.00 57.00 52.44 1jxs n GLN 68 Cb 0.00 -2.35 -0.00 0.00 2.41 0.00 0.00 30.24 30.30 1jxs n GLN 68 CO 0.00 0.00 0.00 -1.91 0.07 0.00 0.00 177.06 175.22 1jxs n GLU 69 N 1.06 -0.76 -3.85 3.69 4.07 -1.26 -4.95 120.64 118.64 1jxs n GLU 69 Ca 0.28 1.03 -0.30 0.00 -0.06 0.00 0.00 57.16 58.11 1jxs n GLU 69 Cb 0.38 -1.17 -0.16 0.00 -0.06 0.00 0.00 31.44 30.43 1jxs n GLU 69 CO 0.00 0.00 0.00 -1.21 -0.06 0.00 0.00 177.13 175.86 1jxs s GLU 70 N -0.73 1.16 0.32 5.31 0.41 -1.26 -4.99 118.70 118.93 1jxs s GLU 70 Ca -0.01 -0.94 -0.27 0.00 -0.41 0.00 0.00 54.97 53.35 1jxs s GLU 70 Cb 0.00 -2.39 -0.09 0.00 -1.78 0.00 0.00 34.13 29.87 1jxs s GLU 70 CO 0.05 -0.72 1.03 -1.25 -0.49 0.00 0.00 175.26 173.87 1jxs s PRO 71 N 1.52 4.50 0.00 0.39 0.04 -1.26 -4.06 135.00 136.13 1jxs s PRO 71 Ca 0.00 1.56 0.00 0.00 0.04 0.00 0.00 61.00 62.60 1jxs s PRO 71 Cb -0.18 -2.90 0.00 0.00 0.04 0.00 0.00 34.50 31.46 1jxs s PRO 71 CO -0.11 0.15 0.00 0.41 0.04 0.00 0.00 177.00 177.49 1jxs n GLY 72 N 0.82 1.82 2.68 0.56 0.00 -1.26 -4.95 105.19 104.86 1jxs n GLY 72 Ca 0.01 -0.44 -0.03 0.00 0.00 0.00 0.00 46.02 45.56 1jxs n GLY 72 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1jxs n LYS 73 N 0.00 0.17 0.00 1.61 3.00 -1.26 -5.04 118.16 116.64 1jxs n LYS 73 Ca 0.00 -0.99 0.00 0.00 -0.00 0.00 0.00 58.31 57.32 1jxs n LYS 73 Cb 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 35.03 34.90 1jxs n LYS 73 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1jxs n GLY 74 N 2.63 0.00 2.76 3.14 0.00 -1.26 -5.02 105.19 107.44 1jxs n GLY 74 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 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 0.00 3.36 -0.18 1.61 0.01 -1.26 -3.68 113.70 113.56 1jxs s SER 75 Ca 0.00 -1.10 -0.02 0.00 1.31 0.00 0.00 55.95 56.14 1jxs s SER 75 Cb 0.00 -0.75 -0.01 0.00 0.21 0.00 0.00 66.02 65.48 1jxs s SER 75 CO 0.00 -0.33 -0.09 0.12 0.41 0.00 0.00 173.24 173.35 1jxs s PHE 76 N 1.73 2.88 -0.44 2.43 2.19 -1.25 -3.47 117.98 122.07 1jxs s PHE 76 Ca 0.01 -0.90 -0.21 0.00 0.33 0.00 0.00 56.93 56.15 1jxs s PHE 76 Cb -0.17 -1.98 0.02 0.00 -1.31 0.00 0.00 43.02 39.58 1jxs s PHE 76 CO -0.13 -0.45 0.69 -1.58 1.83 0.00 0.00 175.22 175.58 1jxs s TRP 77 N 1.02 3.05 -0.12 10.12 0.52 -0.45 -2.74 118.94 130.34 1jxs s TRP 77 Ca -0.01 0.05 -0.05 0.00 0.02 0.00 0.00 56.10 56.11 1jxs s TRP 77 Cb -0.15 -3.43 -0.04 0.00 -1.15 0.00 0.00 33.47 28.70 1jxs s TRP 77 CO -0.01 -0.89 0.08 1.03 0.02 0.00 0.00 176.95 177.18 1jxs s ARG 78 N 2.96 3.34 0.12 4.98 0.52 -1.20 -2.83 118.95 126.84 1jxs s ARG 78 Ca 0.25 -0.26 -0.30 0.00 -0.52 0.00 0.00 55.73 54.90 1jxs s ARG 78 Cb -0.13 -3.05 -0.06 0.00 0.52 0.00 0.00 34.95 32.23 1jxs s ARG 78 CO 0.20 0.69 0.96 -1.50 0.02 0.00 0.00 175.30 175.67 1jxs s ILE 79 N -0.80 4.46 0.72 1.52 1.10 -1.15 0.25 121.20 127.30 1jxs s ILE 79 Ca 0.13 2.07 -0.11 0.00 -0.51 0.00 0.00 60.65 62.22 1jxs s ILE 79 Cb -0.12 -4.32 0.02 0.00 0.15 0.00 0.00 42.46 38.19 1jxs s ILE 79 CO 0.03 0.33 1.09 -1.81 -2.11 0.00 0.00 174.94 172.47 1jxs s ASP 80 N -0.09 5.34 0.00 4.50 1.01 -1.15 -4.87 116.67 121.41 1jxs s ASP 80 Ca 0.47 1.18 0.23 0.00 0.71 0.00 0.00 52.55 55.14 1jxs s ASP 80 Cb -0.24 -1.99 1.33 0.00 1.01 0.00 0.00 42.92 43.04 1jxs s ASP 80 CO 0.30 -1.42 1.77 -0.81 0.21 0.00 0.00 175.17 175.23 1jxs n PRO 81 N -3.06 0.61 -2.14 8.23 -0.04 -1.26 -2.87 135.00 134.46 1jxs n PRO 81 Ca 0.07 0.02 -0.02 0.00 -0.04 0.00 0.00 63.50 63.53 1jxs n PRO 81 Cb 0.57 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.58 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 -1.09 2.98 0.03 0.55 0.00 -1.26 -4.85 120.51 116.87 1jxs n ALA 82 Ca 0.16 -2.84 0.00 0.00 0.00 0.00 0.00 53.44 50.75 1jxs n ALA 82 Cb 0.11 -0.71 0.00 0.00 0.00 0.00 0.00 19.45 18.85 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 -0.35 -0.13 0.00 0.00 7.64 -1.14 -4.89 113.62 114.74 1jxs n SER 83 Ca 0.13 0.12 0.00 0.00 1.01 0.00 0.00 58.87 60.13 1jxs n SER 83 Cb 0.91 0.21 0.00 0.00 -1.01 0.00 0.00 64.21 64.32 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 -2.71 0.00 -0.48 1.43 2.13 -1.17 0.30 120.64 120.15 1jxs n GLU 84 Ca 0.00 0.55 0.36 0.00 0.66 0.00 0.00 57.16 58.73 1jxs n GLU 84 Cb 0.00 -1.04 0.57 0.00 0.27 0.00 0.00 31.44 31.24 1jxs n GLU 84 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 1jxs n SER 85 N -1.21 0.03 -0.03 4.31 3.41 -1.26 0.99 113.62 119.85 1jxs n SER 85 Ca 0.00 0.75 -0.13 0.00 -0.26 0.00 0.00 58.87 59.23 1jxs n SER 85 Cb 0.00 -0.38 -0.11 0.00 -0.26 0.00 0.00 64.21 63.46 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 -0.02 -0.06 4.33 1.79 -0.50 -3.04 116.57 119.08 1jxs h LYS 86 Ca 0.66 0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 59.09 1jxs h LYS 86 Cb 2.57 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 33.23 1jxs h LYS 86 CO -0.06 0.69 -0.13 1.37 -1.08 0.00 0.00 179.45 180.23 1jxs h LEU 87 N -0.76 0.23 -1.89 2.94 -0.00 0.17 -2.60 115.31 113.40 1jxs h LEU 87 Ca -0.00 -0.57 0.11 0.00 -0.00 0.00 0.00 57.88 57.41 1jxs h LEU 87 Cb 0.71 -0.07 -0.01 0.00 -0.00 0.00 0.00 40.66 41.29 1jxs h LEU 87 CO 0.00 0.76 0.48 0.16 -0.00 0.00 0.00 178.44 179.84 1jxs h ILE 88 N -0.30 0.27 0.11 0.15 -2.65 -1.27 0.54 117.51 114.36 1jxs h ILE 88 Ca 0.00 0.00 -0.28 0.00 1.03 0.00 0.00 64.86 65.61 1jxs h ILE 88 Cb 0.72 0.60 0.02 0.00 -2.05 0.00 0.00 36.82 36.11 1jxs h ILE 88 CO 0.03 0.00 -1.21 -0.08 0.03 0.00 0.00 178.15 176.92 1jxs h GLU 89 N 0.00 0.50 -0.01 0.16 4.22 -1.34 -2.37 114.58 115.74 1jxs h GLU 89 Ca 0.17 -0.69 0.00 0.00 0.08 0.00 0.00 59.36 58.93 1jxs h GLU 89 Cb 1.14 0.23 0.00 0.00 0.50 0.00 0.00 28.75 30.62 1jxs h GLU 89 CO -0.00 1.30 -0.17 0.94 -2.18 0.00 0.00 179.01 178.89 1jxs n GLN 90 N -3.72 1.07 -0.13 1.92 -0.06 0.15 -3.91 117.38 112.71 1jxs n GLN 90 Ca -0.11 -0.62 -0.17 0.00 -2.00 0.00 0.00 57.00 54.09 1jxs n GLN 90 Cb 0.98 -1.49 -0.12 0.00 -4.06 0.00 0.00 30.24 25.55 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 -0.42 1.45 1.59 1.69 0.00 0.12 -4.23 120.51 120.70 1jxs n ALA 91 Ca 0.14 -1.13 0.13 0.00 0.00 0.00 0.00 53.44 52.59 1jxs n ALA 91 Cb 0.35 -0.10 0.76 0.00 0.00 0.00 0.00 19.45 20.45 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 -3.21 0.00 -3.61 0.00 3.01 -0.89 -4.39 117.46 108.37 1jxs n PHE 92 Ca -0.45 0.00 -0.29 0.00 1.01 0.00 0.00 57.45 57.72 1jxs n PHE 92 Cb 1.00 -0.01 -0.15 0.00 -0.01 0.00 0.00 39.48 40.32 1jxs n PHE 92 CO 0.00 0.00 0.00 0.50 1.01 0.00 0.00 176.76 178.27 1jxs s ARG 93 N -2.02 0.40 1.30 -1.08 6.06 -1.25 -5.10 118.95 117.26 1jxs s ARG 93 Ca 0.38 -0.76 -0.17 0.00 -2.50 0.00 0.00 55.73 52.68 1jxs s ARG 93 Cb 0.18 -1.48 0.33 0.00 0.06 0.00 0.00 34.95 34.04 1jxs s ARG 93 CO 0.30 -1.01 0.97 0.36 -2.50 0.00 0.00 175.30 173.41 1jxs n LYS 94 N 5.06 -3.41 -0.96 5.12 2.85 -1.26 -4.82 118.16 120.74 1jxs n LYS 94 Ca -0.04 -0.98 -0.08 0.00 -1.05 0.00 0.00 58.31 56.15 1jxs n LYS 94 Cb 0.42 -2.08 0.05 0.00 -0.65 0.00 0.00 35.03 32.77 1jxs n LYS 94 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1jxs n ARG 95 N -5.33 0.04 -2.68 -1.58 1.74 -1.26 -5.09 116.66 102.49 1jxs n ARG 95 Ca 0.06 -0.78 0.01 0.00 -0.77 0.00 0.00 57.85 56.37 1jxs n ARG 95 Cb 0.56 -0.31 0.01 0.00 -1.02 0.00 0.00 32.46 31.70 1jxs n ARG 95 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 1jxs s ARG 96 N -3.55 0.06 0.63 5.56 3.52 -1.26 -5.17 118.95 118.75 1jxs s ARG 96 Ca 0.22 -0.02 -0.11 0.00 -0.13 0.00 0.00 55.73 55.69 1jxs s ARG 96 Cb -0.01 0.01 0.15 0.00 -1.56 0.00 0.00 34.95 33.53 1jxs s ARG 96 CO 0.15 -0.08 0.79 -0.35 -0.81 0.00 0.00 175.30 175.00 1jxs n PRO 97 N 3.45 -1.10 -0.59 5.12 -0.04 -1.26 -5.36 135.00 135.21 1jxs n PRO 97 Ca 0.05 -1.23 0.00 0.00 -0.04 0.00 0.00 63.50 62.28 1jxs n PRO 97 Cb 0.65 -0.88 0.00 0.00 -0.04 0.00 0.00 33.50 33.23 1jxs n PRO 97 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00