#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 5.76 -0.43 -2.24 0.01 -1.26 -5.05 113.70 110.50 1jxs s SER 2 Ca 0.00 0.32 -0.15 0.00 1.31 0.00 0.00 55.95 57.43 1jxs s SER 2 Cb 0.00 -1.50 0.04 0.00 0.21 0.00 0.00 66.02 64.76 1jxs s SER 2 CO 0.00 -0.78 0.32 -0.75 0.41 0.00 0.00 173.24 172.44 1jxs s LYS 3 N -4.62 2.96 0.79 12.44 2.47 -1.26 -5.06 119.74 127.45 1jxs s LYS 3 Ca 0.50 -1.13 -0.12 0.00 -1.56 0.00 0.00 55.97 53.66 1jxs s LYS 3 Cb -0.10 -4.01 0.07 0.00 -1.46 0.00 0.00 37.83 32.33 1jxs s LYS 3 CO 0.39 -0.83 1.11 -1.25 0.16 0.00 0.00 175.35 174.93 1jxs s PRO 4 N 1.66 2.12 0.77 4.03 0.04 -1.26 -5.04 135.00 137.32 1jxs s PRO 4 Ca 0.05 0.49 -0.12 0.00 0.04 0.00 0.00 61.00 61.46 1jxs s PRO 4 Cb -0.21 -1.93 0.06 0.00 0.04 0.00 0.00 34.50 32.46 1jxs s PRO 4 CO 0.09 -1.56 1.12 -1.25 0.04 0.00 0.00 177.00 175.43 1jxs s PRO 5 N -5.27 2.27 0.00 0.56 0.04 -1.26 -5.10 135.00 126.25 1jxs s PRO 5 Ca 0.61 0.41 0.00 0.00 0.04 0.00 0.00 61.00 62.06 1jxs s PRO 5 Cb -0.13 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.45 1jxs s PRO 5 CO 0.53 -1.44 0.00 0.98 0.04 0.00 0.00 177.00 177.11 1jxs n TYR 6 N -3.27 0.00 -2.67 0.56 9.36 -1.26 -5.11 117.16 114.77 1jxs n TYR 6 Ca 0.07 0.00 -0.35 0.00 3.32 0.00 0.00 57.90 60.94 1jxs n TYR 6 Cb 0.58 0.00 -0.05 0.00 -0.63 0.00 0.00 39.34 39.24 1jxs n TYR 6 CO 0.00 0.00 0.00 -1.12 0.22 0.00 0.00 176.86 175.96 1jxs s SER 7 N 1.00 6.83 0.00 2.98 0.01 -1.26 -4.91 113.70 118.35 1jxs s SER 7 Ca 0.00 1.88 0.30 0.00 1.31 0.00 0.00 55.95 59.43 1jxs s SER 7 Cb 0.00 -2.57 1.76 0.00 0.21 0.00 0.00 66.02 65.43 1jxs s SER 7 CO 0.00 -0.44 2.12 -1.22 0.41 0.00 0.00 173.24 174.11 1jxs n TYR 8 N -0.32 0.00 1.00 2.43 4.01 -1.26 -2.69 117.16 120.33 1jxs n TYR 8 Ca 0.06 0.00 0.10 0.00 -0.16 0.00 0.00 57.90 57.90 1jxs n TYR 8 Cb 0.52 0.00 -0.12 0.00 -0.31 0.00 0.00 39.34 39.43 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 -0.97 4.76 -0.10 -0.72 0.00 -1.26 -4.33 120.51 117.89 1jxs n ALA 9 Ca 0.22 -0.60 -0.10 0.00 0.00 0.00 0.00 53.44 52.96 1jxs n ALA 9 Cb 0.10 -0.77 -0.15 0.00 0.00 0.00 0.00 19.45 18.63 1jxs n ALA 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jxs n GLN 10 N -1.50 0.78 0.00 0.00 -0.00 -1.10 -3.85 117.38 111.71 1jxs n GLN 10 Ca 0.04 -0.01 0.08 0.00 -0.00 0.00 0.00 57.00 57.11 1jxs n GLN 10 Cb 0.33 -1.51 0.40 0.00 -0.00 0.00 0.00 30.24 29.47 1jxs n GLN 10 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1jxs n LEU 11 N -2.74 0.00 -0.10 2.61 4.77 -1.19 -2.15 117.00 118.20 1jxs n LEU 11 Ca -0.32 0.29 -0.17 0.00 -0.03 0.00 0.00 56.01 55.78 1jxs n LEU 11 Cb 1.14 -0.29 -0.06 0.00 -2.33 0.00 0.00 43.42 41.88 1jxs n LEU 11 CO 0.41 -0.14 -0.96 -0.38 -1.33 0.00 0.00 177.39 175.00 1jxs n ILE 12 N -1.29 1.45 0.00 -0.08 5.41 -1.26 -4.35 119.36 119.24 1jxs n ILE 12 Ca 0.07 -0.07 0.00 0.00 1.00 0.00 0.00 62.75 63.76 1jxs n ILE 12 Cb 0.13 -2.10 0.00 0.00 -0.71 0.00 0.00 39.64 36.96 1jxs n ILE 12 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 1jxs n VAL 13 N -4.28 0.00 -0.24 1.39 0.31 -1.19 -0.74 118.33 113.57 1jxs n VAL 13 Ca -0.30 1.34 0.27 0.00 -0.01 0.00 0.00 64.34 65.65 1jxs n VAL 13 Cb 0.65 -2.04 0.42 0.00 -0.91 0.00 0.00 33.84 31.96 1jxs n VAL 13 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 1jxs n GLN 14 N -2.02 0.01 -0.07 5.55 0.00 -0.91 -0.01 117.38 119.93 1jxs n GLN 14 Ca 0.00 0.91 -0.13 0.00 -0.00 0.00 0.00 57.00 57.79 1jxs n GLN 14 Cb 0.00 -2.26 -0.11 0.00 0.00 0.00 0.00 30.24 27.88 1jxs n GLN 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1jxs h ALA 15 N 0.51 0.03 -0.49 1.69 0.00 -1.13 -2.63 119.26 117.24 1jxs h ALA 15 Ca 0.48 -0.53 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 1jxs h ALA 15 Cb 2.70 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 20.58 1jxs h ALA 15 CO -0.01 0.10 -0.00 0.97 0.00 0.00 0.00 179.25 180.32 1jxs h ILE 16 N -1.00 1.26 0.00 0.00 -0.00 0.36 -0.08 117.51 118.05 1jxs h ILE 16 Ca -0.05 -1.07 0.00 0.00 -0.00 0.00 0.00 64.86 63.74 1jxs h ILE 16 Cb 0.89 0.99 0.00 0.00 -0.00 0.00 0.00 36.82 38.70 1jxs h ILE 16 CO -0.03 0.38 0.00 0.71 -0.00 0.00 0.00 178.15 179.21 1jxs h THR 17 N 0.72 0.00 0.00 2.19 1.35 -1.40 -2.73 112.91 113.04 1jxs h THR 17 Ca 0.14 -0.48 -0.10 0.00 -0.55 0.00 0.00 66.41 65.42 1jxs h THR 17 Cb 0.51 1.39 -0.02 0.00 -1.73 0.00 0.00 68.15 68.31 1jxs h THR 17 CO 0.03 0.00 -1.22 -0.03 -0.25 0.00 0.00 175.52 174.04 1jxs h MET 18 N 0.00 0.00 -6.81 4.72 1.85 -1.02 -3.46 114.93 110.21 1jxs h MET 18 Ca 0.00 0.00 -0.50 0.00 -0.61 0.00 0.00 59.70 58.59 1jxs h MET 18 Cb 0.56 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.59 1jxs h MET 18 CO 0.00 0.17 0.43 0.00 -0.40 0.00 0.00 176.91 177.10 1jxs s ALA 19 N -3.11 3.35 -1.28 0.39 0.00 -0.10 -4.93 121.76 116.08 1jxs s ALA 19 Ca -0.02 0.78 -0.19 0.00 0.00 0.00 0.00 51.96 52.53 1jxs s ALA 19 Cb 0.09 -3.28 0.05 0.00 0.00 0.00 0.00 23.12 19.98 1jxs s ALA 19 CO 0.80 -0.04 1.76 -1.25 0.00 0.00 0.00 175.76 177.03 1jxs s PRO 20 N -1.49 3.78 0.00 0.00 0.04 -1.26 -3.10 135.00 132.97 1jxs s PRO 20 Ca 0.45 -1.86 0.00 0.00 0.04 0.00 0.00 61.00 59.63 1jxs s PRO 20 Cb -0.29 -5.50 0.00 0.00 0.04 0.00 0.00 34.50 28.76 1jxs s PRO 20 CO 0.36 -2.48 0.00 -0.25 0.04 0.00 0.00 177.00 174.67 1jxs n ASP 21 N 9.20 0.00 -0.67 6.66 8.00 -1.26 -4.93 116.55 133.56 1jxs n ASP 21 Ca 0.48 0.00 -0.07 0.00 0.71 0.00 0.00 54.79 55.91 1jxs n ASP 21 Cb 0.46 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.55 1jxs n ASP 21 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1jxs n LYS 22 N 0.00 -0.50 -3.78 -1.24 4.01 -1.18 -5.01 118.16 110.46 1jxs n LYS 22 Ca 0.00 0.45 -0.14 0.00 -0.51 0.00 0.00 58.31 58.11 1jxs n LYS 22 Cb 0.00 -4.28 -0.15 0.00 -0.51 0.00 0.00 35.03 30.09 1jxs n LYS 22 CO 0.00 0.00 0.00 -0.65 -1.11 0.00 0.00 177.40 175.64 1jxs s GLN 23 N -3.76 0.04 -0.05 1.97 -0.21 -1.26 -3.15 119.66 113.24 1jxs s GLN 23 Ca 0.00 0.25 -0.15 0.00 0.02 0.00 0.00 55.36 55.48 1jxs s GLN 23 Cb 0.00 -0.17 0.03 0.00 1.00 0.00 0.00 33.01 33.87 1jxs s GLN 23 CO 0.00 -0.14 0.34 -1.17 -2.12 0.00 0.00 175.29 172.21 1jxs s LEU 24 N 0.92 0.71 0.81 2.90 1.98 -1.08 -4.94 118.68 119.98 1jxs s LEU 24 Ca -0.07 0.29 -0.12 0.00 -2.89 0.00 0.00 54.13 51.34 1jxs s LEU 24 Cb -0.10 1.33 0.08 0.00 0.66 0.00 0.00 46.19 48.16 1jxs s LEU 24 CO -0.04 -0.37 1.18 0.42 -1.89 0.00 0.00 176.35 175.65 1jxs s THR 25 N -0.91 2.04 0.17 3.68 -4.23 -1.26 -1.48 115.64 113.64 1jxs s THR 25 Ca -0.10 0.01 -0.14 0.00 -1.18 0.00 0.00 61.69 60.28 1jxs s THR 25 Cb -0.04 -3.01 0.06 0.00 1.34 0.00 0.00 72.50 70.84 1jxs s THR 25 CO 0.04 -0.02 1.82 0.25 -0.54 0.00 0.00 174.62 176.17 1jxs h LEU 26 N -1.05 0.51 -1.99 4.79 6.46 -1.91 0.84 115.31 122.97 1jxs h LEU 26 Ca -0.46 -0.00 0.20 0.00 -0.12 0.00 0.00 57.88 57.50 1jxs h LEU 26 Cb 1.33 -0.11 -0.03 0.00 -0.73 0.00 0.00 40.66 41.12 1jxs h LEU 26 CO 0.66 0.37 0.53 0.78 -0.62 0.00 0.00 178.44 180.16 1jxs h ASN 27 N 0.62 0.00 -0.98 1.25 -0.26 -1.92 -2.40 115.58 111.89 1jxs h ASN 27 Ca 0.19 0.00 0.12 0.00 -0.56 0.00 0.00 56.30 56.05 1jxs h ASN 27 Cb -0.02 0.00 -0.14 0.00 -1.06 0.00 0.00 38.32 37.11 1jxs h ASN 27 CO -0.07 0.00 -0.49 0.61 -1.06 0.00 0.00 177.43 176.42 1jxs n GLY 28 N -1.64 -2.30 0.34 2.83 0.00 0.29 0.11 105.19 104.80 1jxs n GLY 28 Ca 0.14 1.13 0.03 0.00 0.00 0.00 0.00 46.02 47.32 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 0.98 0.52 -0.61 1.08 -1.59 0.22 117.51 118.11 1jxs h ILE 29 Ca 0.24 -0.33 -0.03 0.00 -0.39 0.00 0.00 64.86 64.35 1jxs h ILE 29 Cb 0.48 -0.06 0.01 0.00 -3.07 0.00 0.00 36.82 34.18 1jxs h ILE 29 CO -0.94 0.18 -0.25 1.88 -0.69 0.00 0.00 178.15 178.32 1jxs h TYR 30 N 0.96 -0.65 0.00 1.37 0.05 0.61 -1.78 116.97 117.54 1jxs h TYR 30 Ca 0.42 -0.02 0.00 0.00 0.05 0.00 0.00 58.73 59.18 1jxs h TYR 30 Cb 0.30 0.21 0.00 0.00 1.01 0.00 0.00 36.73 38.25 1jxs h TYR 30 CO -0.03 -0.40 0.00 2.41 -1.05 0.00 0.00 178.16 179.09 1jxs n THR 31 N -3.98 0.00 -0.11 -2.88 -1.04 -0.02 -3.07 114.28 103.18 1jxs n THR 31 Ca -0.09 0.00 -0.19 0.00 -2.04 0.00 0.00 64.05 61.73 1jxs n THR 31 Cb 0.28 -0.69 -0.06 0.00 -1.82 0.00 0.00 70.33 68.03 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 -0.88 0.00 -0.24 -1.42 -0.00 0.05 -3.71 115.22 109.03 1jxs n HIS 32 Ca 0.07 0.00 0.18 0.00 -0.00 0.00 0.00 57.72 57.97 1jxs n HIS 32 Cb 0.03 -0.73 0.49 0.00 -0.00 0.00 0.00 29.99 29.78 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 -0.95 0.70 -0.08 3.57 -0.00 -1.30 0.30 117.51 119.75 1jxs h ILE 33 Ca -0.36 -0.15 -0.14 0.00 -0.00 0.00 0.00 64.86 64.20 1jxs h ILE 33 Cb 1.30 0.22 -0.01 0.00 -0.00 0.00 0.00 36.82 38.32 1jxs h ILE 33 CO -0.22 0.08 -0.58 0.71 -0.00 0.00 0.00 178.15 178.14 1jxs h THR 34 N 0.45 1.37 -0.01 2.19 1.35 -1.74 -1.05 112.91 115.47 1jxs h THR 34 Ca 0.46 -1.93 -0.04 0.00 -0.55 0.00 0.00 66.41 64.35 1jxs h THR 34 Cb 1.09 1.96 -0.01 0.00 -1.73 0.00 0.00 68.15 69.46 1jxs h THR 34 CO -0.18 0.57 -0.21 0.50 -0.25 0.00 0.00 175.52 175.95 1jxs h LYS 35 N 0.20 0.02 0.00 4.72 3.64 -0.50 -3.33 116.57 121.31 1jxs h LYS 35 Ca -0.00 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1jxs h LYS 35 Cb 1.08 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.90 1jxs h LYS 35 CO 0.09 0.22 -0.27 0.09 -2.27 0.00 0.00 179.45 177.32 1jxs n ASN 36 N -4.29 0.79 -4.64 4.20 3.02 -0.99 -4.96 115.26 108.39 1jxs n ASN 36 Ca -0.02 0.35 -0.30 0.00 -0.03 0.00 0.00 54.58 54.58 1jxs n ASN 36 Cb 0.27 -0.65 0.18 0.00 -0.61 0.00 0.00 39.78 38.97 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 -1.60 1.91 -0.02 3.10 2.02 -0.41 -4.99 117.35 117.34 1jxs s TYR 37 Ca -0.08 1.32 -0.06 0.00 -0.37 0.00 0.00 57.07 57.89 1jxs s TYR 37 Cb 0.01 -3.18 -0.03 0.00 -0.40 0.00 0.00 41.96 38.36 1jxs s TYR 37 CO 0.12 -2.91 0.41 -1.00 -1.57 0.00 0.00 175.55 170.59 1jxs h PRO 38 N -1.93 -0.21 -5.80 -1.71 0.13 -1.86 -3.43 132.00 117.20 1jxs h PRO 38 Ca -0.52 0.01 -0.58 0.00 -0.87 0.00 0.00 66.00 64.05 1jxs h PRO 38 Cb 1.30 0.05 -0.14 0.00 0.13 0.00 0.00 31.00 32.34 1jxs h PRO 38 CO 0.51 -0.14 -0.68 1.52 -0.23 0.00 0.00 178.00 178.98 1jxs s TYR 39 N -2.29 2.25 0.00 1.56 1.13 -1.26 -4.97 117.35 113.77 1jxs s TYR 39 Ca -0.03 -0.56 0.00 0.00 -1.41 0.00 0.00 57.07 55.06 1jxs s TYR 39 Cb 0.00 -1.29 0.00 0.00 -1.10 0.00 0.00 41.96 39.58 1jxs s TYR 39 CO 0.09 0.48 0.00 0.98 -2.51 0.00 0.00 175.55 174.60 1jxs n TYR 40 N -0.72 0.00 -1.11 -3.49 4.19 -1.26 -4.97 117.16 109.80 1jxs n TYR 40 Ca -0.05 0.00 -0.18 0.00 3.31 0.00 0.00 57.90 60.98 1jxs n TYR 40 Cb 0.63 0.00 -0.05 0.00 0.49 0.00 0.00 39.34 40.41 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 2.00 0.02 2.98 0.63 -1.26 -3.73 116.66 117.29 1jxs n ARG 41 Ca 0.00 -1.57 0.00 0.00 -0.92 0.00 0.00 57.85 55.36 1jxs n ARG 41 Cb 0.00 -1.85 0.00 0.00 0.45 0.00 0.00 32.46 31.06 1jxs n ARG 41 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 1jxs n THR 42 N 1.18 0.29 -2.64 5.15 -2.24 -1.26 -4.98 114.28 109.78 1jxs n THR 42 Ca 0.37 0.10 -0.03 0.00 -2.27 0.00 0.00 64.05 62.22 1jxs n THR 42 Cb 0.64 -1.36 0.09 0.00 -2.10 0.00 0.00 70.33 67.60 1jxs n THR 42 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1jxs n ALA 43 N -3.08 1.04 -2.55 6.98 0.00 -1.26 -5.15 120.51 116.49 1jxs n ALA 43 Ca 0.00 -0.82 -0.20 0.00 0.00 0.00 0.00 53.44 52.42 1jxs n ALA 43 Cb 0.30 -0.83 -0.02 0.00 0.00 0.00 0.00 19.45 18.90 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 -0.84 5.77 0.14 0.00 1.01 -1.24 -5.02 116.67 116.49 1jxs s ASP 44 Ca 0.10 -0.26 -0.33 0.00 0.71 0.00 0.00 52.55 52.77 1jxs s ASP 44 Cb 0.31 -1.23 -0.17 0.00 1.01 0.00 0.00 42.92 42.84 1jxs s ASP 44 CO -0.08 -0.34 0.88 1.17 0.21 0.00 0.00 175.17 177.00 1jxs n LYS 45 N -1.51 0.38 -1.51 8.23 3.00 -1.26 -4.47 118.16 121.02 1jxs n LYS 45 Ca -0.02 0.13 -0.23 0.00 -0.00 0.00 0.00 58.31 58.19 1jxs n LYS 45 Cb 0.58 -1.44 -0.18 0.00 0.00 0.00 0.00 35.03 34.00 1jxs n LYS 45 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1jxs n GLY 46 N 1.81 -0.40 1.77 3.14 0.00 -1.26 -4.64 105.19 105.60 1jxs n GLY 46 Ca 0.17 0.22 0.08 0.00 0.00 0.00 0.00 46.02 46.49 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 9.17 1.84 -0.08 1.61 4.27 -1.26 -4.44 117.44 128.56 1jxs n TRP 47 Ca 0.62 -0.69 -0.09 0.00 -3.89 0.00 0.00 57.50 53.46 1jxs n TRP 47 Cb 0.20 -0.41 -0.05 0.00 -1.36 0.00 0.00 31.31 29.70 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 4.02 0.00 0.00 -2.67 4.20 -1.96 -3.33 115.11 115.37 1jxs h GLN 48 Ca 0.00 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 1jxs h GLN 48 Cb 1.78 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.56 1jxs h GLN 48 CO 0.39 0.31 -0.01 -0.97 -0.67 0.00 0.00 178.83 177.88 1jxs h ASN 49 N -1.00 0.00 -0.66 1.46 -0.73 -1.99 -1.45 115.58 111.21 1jxs h ASN 49 Ca -0.09 0.00 -0.07 0.00 1.87 0.00 0.00 56.30 58.01 1jxs h ASN 49 Cb 0.68 0.00 -0.03 0.00 0.27 0.00 0.00 38.32 39.24 1jxs h ASN 49 CO -0.06 0.01 0.15 0.77 -0.37 0.00 0.00 177.43 177.93 1jxs h SER 50 N 0.00 1.02 0.21 1.15 4.64 -1.78 -1.55 113.55 117.24 1jxs h SER 50 Ca -0.00 -0.24 -0.01 0.00 -0.47 0.00 0.00 61.79 61.07 1jxs h SER 50 Cb 0.04 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 61.86 1jxs h SER 50 CO 0.00 0.99 -0.10 0.40 -0.87 0.00 0.00 176.83 177.25 1jxs h ILE 51 N 0.99 0.82 -0.53 0.95 1.08 -1.37 -2.97 117.51 116.48 1jxs h ILE 51 Ca 0.21 -0.92 0.15 0.00 -0.39 0.00 0.00 64.86 63.91 1jxs h ILE 51 Cb 0.38 1.29 -0.02 0.00 -3.07 0.00 0.00 36.82 35.40 1jxs h ILE 51 CO 0.00 0.18 0.44 -0.09 -0.69 0.00 0.00 178.15 177.99 1jxs h ARG 52 N -0.80 0.00 -0.23 2.37 2.43 -1.51 0.14 114.38 116.79 1jxs h ARG 52 Ca -0.03 0.00 -0.12 0.00 -0.81 0.00 0.00 59.98 59.02 1jxs h ARG 52 Cb 0.51 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.05 1jxs h ARG 52 CO 0.05 0.00 -0.38 1.25 -1.51 0.00 0.00 179.97 179.37 1jxs h HIS 53 N 0.00 0.61 -0.32 2.20 2.76 -1.13 -2.54 115.15 116.72 1jxs h HIS 53 Ca 0.25 -0.17 0.00 0.00 -2.20 0.00 0.00 60.37 58.25 1jxs h HIS 53 Cb 1.13 -0.13 0.00 0.00 1.55 0.00 0.00 27.41 29.95 1jxs h HIS 53 CO 0.00 0.83 0.00 0.09 -1.30 0.00 0.00 177.93 177.55 1jxs n ASN 54 N -4.04 2.87 -0.00 3.26 4.13 0.48 -3.62 115.26 118.34 1jxs n ASN 54 Ca -0.01 -2.29 0.10 0.00 1.68 0.00 0.00 54.58 54.06 1jxs n ASN 54 Cb 0.50 -0.46 -0.12 0.00 -1.54 0.00 0.00 39.78 38.15 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 0.42 0.67 -0.13 3.41 7.99 -0.96 -3.81 117.00 124.60 1jxs n LEU 55 Ca 0.13 -0.31 -0.25 0.00 -0.01 0.00 0.00 56.01 55.58 1jxs n LEU 55 Cb 0.57 -0.01 -0.11 0.00 -0.11 0.00 0.00 43.42 43.77 1jxs n LEU 55 CO 0.14 0.16 -1.40 -0.24 -1.51 0.00 0.00 177.39 174.54 1jxs n SER 56 N -1.76 1.96 0.00 -1.43 2.88 -1.24 -4.63 113.62 109.40 1jxs n SER 56 Ca 0.01 0.14 0.00 0.00 -1.33 0.00 0.00 58.87 57.69 1jxs n SER 56 Cb 0.41 -0.64 0.00 0.00 -0.75 0.00 0.00 64.21 63.23 1jxs n SER 56 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 1jxs n LEU 57 N -3.82 0.00 -4.56 2.46 7.94 -1.25 -3.58 117.00 114.19 1jxs n LEU 57 Ca -0.50 0.92 -0.20 0.00 -1.11 0.00 0.00 56.01 55.12 1jxs n LEU 57 Cb 0.92 -0.42 -0.06 0.00 0.53 0.00 0.00 43.42 44.39 1jxs n LEU 57 CO 0.12 -0.42 1.34 0.20 -1.11 0.00 0.00 177.39 177.52 1jxs s ASN 58 N -2.18 4.28 0.00 1.96 0.01 -1.25 -4.72 114.94 113.04 1jxs s ASN 58 Ca 0.00 -0.00 0.09 0.00 -0.71 0.00 0.00 52.86 52.23 1jxs s ASN 58 Cb 0.00 -2.55 0.51 0.00 0.41 0.00 0.00 41.25 39.62 1jxs s ASN 58 CO 0.00 -3.47 0.92 0.54 -1.51 0.00 0.00 177.10 173.59 1jxs n ARG 59 N 8.86 0.36 -0.33 -0.60 3.00 -1.23 -3.19 116.66 123.53 1jxs n ARG 59 Ca 0.43 0.00 0.11 0.00 -0.01 0.00 0.00 57.85 58.38 1jxs n ARG 59 Cb 0.46 -1.37 0.29 0.00 0.00 0.00 0.00 32.46 31.83 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 0.00 0.93 -0.98 -1.55 0.05 -1.90 -3.23 116.97 110.29 1jxs h TYR 60 Ca 0.00 0.03 -0.60 0.00 0.05 0.00 0.00 58.73 58.21 1jxs h TYR 60 Cb 0.00 -0.27 -0.09 0.00 1.01 0.00 0.00 36.73 37.38 1jxs h TYR 60 CO 0.00 0.19 1.69 -0.06 -1.05 0.00 0.00 178.16 178.93 1jxs s PHE 61 N -5.90 2.56 -1.05 4.88 0.08 -1.19 -2.79 117.98 114.57 1jxs s PHE 61 Ca -0.12 -0.99 -0.23 0.00 0.12 0.00 0.00 56.93 55.72 1jxs s PHE 61 Cb 0.24 -4.66 0.03 0.00 -0.57 0.00 0.00 43.02 38.06 1jxs s PHE 61 CO 0.79 -1.86 1.59 0.96 -0.10 0.00 0.00 175.22 176.60 1jxs s ILE 62 N 5.19 3.86 0.50 0.64 -4.36 0.29 -4.62 121.20 122.70 1jxs s ILE 62 Ca 0.51 -0.87 -0.17 0.00 -0.26 0.00 0.00 60.65 59.86 1jxs s ILE 62 Cb 0.01 -4.89 -0.08 0.00 1.25 0.00 0.00 42.46 38.75 1jxs s ILE 62 CO -0.02 -1.76 0.98 -1.59 0.24 0.00 0.00 174.94 172.79 1jxs s LYS 63 N 5.26 3.97 -0.20 0.37 0.00 -1.26 -3.50 119.74 124.38 1jxs s LYS 63 Ca 0.52 0.98 -0.09 0.00 0.00 0.00 0.00 55.97 57.38 1jxs s LYS 63 Cb -0.01 -2.14 -0.05 0.00 0.00 0.00 0.00 37.83 35.64 1jxs s LYS 63 CO -0.05 -0.25 0.11 0.14 0.00 0.00 0.00 175.35 175.30 1jxs s VAL 64 N -2.56 5.14 0.05 1.79 -7.23 -1.09 -4.95 120.40 111.55 1jxs s VAL 64 Ca 0.59 0.10 0.11 0.00 -1.81 0.00 0.00 61.98 60.97 1jxs s VAL 64 Cb -0.10 -3.35 -0.06 0.00 0.56 0.00 0.00 36.38 33.43 1jxs s VAL 64 CO 0.29 0.43 1.42 1.55 -0.31 0.00 0.00 175.10 178.48 1jxs h PRO 65 N 6.87 0.00 -6.01 4.82 0.13 -1.91 -3.36 132.00 132.53 1jxs h PRO 65 Ca -0.39 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.15 1jxs h PRO 65 Cb 1.16 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.23 1jxs h PRO 65 CO 0.72 0.72 -0.14 1.03 -0.23 0.00 0.00 178.00 180.09 1jxs s ARG 66 N -2.99 4.08 0.00 0.86 0.52 -1.26 -4.49 118.95 115.67 1jxs s ARG 66 Ca 0.02 0.51 0.00 0.00 -0.52 0.00 0.00 55.73 55.73 1jxs s ARG 66 Cb 0.10 -3.27 0.00 0.00 0.52 0.00 0.00 34.95 32.29 1jxs s ARG 66 CO 0.77 0.56 0.00 -1.13 0.02 0.00 0.00 175.30 175.53 1jxs n SER 67 N 2.19 0.00 -2.96 0.23 3.41 -1.26 -4.97 113.62 110.26 1jxs n SER 67 Ca -0.12 0.00 -0.40 0.00 -0.26 0.00 0.00 58.87 58.10 1jxs n SER 67 Cb 0.52 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 64.50 1jxs n SER 67 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jxs n GLN 68 N 0.00 2.93 -4.04 4.33 6.02 -1.26 -4.86 117.38 120.50 1jxs n GLN 68 Ca 0.00 -3.57 -0.45 0.00 -0.01 0.00 0.00 57.00 52.97 1jxs n GLN 68 Cb 0.00 -2.28 0.02 0.00 1.02 0.00 0.00 30.24 29.00 1jxs n GLN 68 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 1jxs n GLU 69 N -0.47 -0.36 -3.87 -1.09 2.13 -1.26 -4.94 120.64 110.78 1jxs n GLU 69 Ca 0.53 0.13 -0.11 0.00 0.66 0.00 0.00 57.16 58.37 1jxs n GLU 69 Cb 0.24 -2.60 -0.10 0.00 0.27 0.00 0.00 31.44 29.25 1jxs n GLU 69 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 1jxs s GLU 70 N -7.23 0.47 -0.08 5.31 2.02 -1.26 -5.08 118.70 112.85 1jxs s GLU 70 Ca 0.47 -0.36 -0.05 0.00 0.02 0.00 0.00 54.97 55.05 1jxs s GLU 70 Cb -0.25 0.19 -0.03 0.00 0.10 0.00 0.00 34.13 34.14 1jxs s GLU 70 CO 0.96 -0.11 0.19 -1.00 0.02 0.00 0.00 175.26 175.33 1jxs h PRO 71 N 4.38 -0.16 -1.91 0.39 0.13 -1.92 -3.41 132.00 129.49 1jxs h PRO 71 Ca -0.30 0.01 -0.54 0.00 -0.87 0.00 0.00 66.00 64.30 1jxs h PRO 71 Cb 1.19 0.04 -0.38 0.00 0.13 0.00 0.00 31.00 31.98 1jxs h PRO 71 CO 0.41 -0.11 -1.09 0.41 -0.23 0.00 0.00 178.00 177.39 1jxs n GLY 72 N 1.36 2.82 3.58 1.56 0.00 -1.26 -4.82 105.19 108.43 1jxs n GLY 72 Ca -0.02 -1.51 -0.11 0.00 0.00 0.00 0.00 46.02 44.38 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 -1.24 0.64 -1.44 1.61 2.20 -1.26 -4.95 119.74 115.29 1jxs s LYS 73 Ca 0.35 0.24 -0.08 0.00 -0.36 0.00 0.00 55.97 56.12 1jxs s LYS 73 Cb 0.19 0.30 0.02 0.00 -1.51 0.00 0.00 37.83 36.83 1jxs s LYS 73 CO -0.11 -0.18 0.96 0.41 -0.36 0.00 0.00 175.35 176.07 1jxs n GLY 74 N 1.00 -0.54 3.98 5.54 0.00 -1.26 -4.80 105.19 109.12 1jxs n GLY 74 Ca -0.12 0.21 -0.20 0.00 0.00 0.00 0.00 46.02 45.91 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 -3.10 5.66 -0.15 1.61 0.01 -1.26 -4.69 113.70 111.78 1jxs s SER 75 Ca 0.50 -0.09 -0.01 0.00 1.31 0.00 0.00 55.95 57.66 1jxs s SER 75 Cb -0.23 -1.05 -0.01 0.00 0.21 0.00 0.00 66.02 64.94 1jxs s SER 75 CO 0.62 -0.78 -0.12 0.12 0.41 0.00 0.00 173.24 173.49 1jxs s PHE 76 N -2.47 2.84 -0.55 2.43 2.19 -1.26 -4.15 117.98 117.00 1jxs s PHE 76 Ca 0.52 -0.71 -0.18 0.00 0.33 0.00 0.00 56.93 56.89 1jxs s PHE 76 Cb -0.10 -1.89 0.09 0.00 -1.31 0.00 0.00 43.02 39.81 1jxs s PHE 76 CO 0.35 -0.27 0.64 -1.58 1.83 0.00 0.00 175.22 176.19 1jxs s TRP 77 N 0.55 3.05 0.11 10.12 0.52 -0.55 -2.66 118.94 130.08 1jxs s TRP 77 Ca -0.08 -0.85 0.09 0.00 0.02 0.00 0.00 56.10 55.28 1jxs s TRP 77 Cb -0.15 -3.79 -0.04 0.00 -1.15 0.00 0.00 33.47 28.34 1jxs s TRP 77 CO 0.03 -1.16 -0.17 -0.98 0.02 0.00 0.00 176.95 174.70 1jxs s ARG 78 N 2.51 1.83 0.39 4.98 3.03 -1.23 -2.64 118.95 127.82 1jxs s ARG 78 Ca 0.11 -1.15 -0.08 0.00 2.03 0.00 0.00 55.73 56.63 1jxs s ARG 78 Cb -0.23 -2.14 -0.06 0.00 -1.03 0.00 0.00 34.95 31.49 1jxs s ARG 78 CO 0.08 0.49 0.73 0.42 -1.13 0.00 0.00 175.30 175.88 1jxs s ILE 79 N -1.15 4.86 0.99 4.99 -1.09 -1.19 0.11 121.20 128.72 1jxs s ILE 79 Ca 0.18 0.43 -0.17 0.00 -2.23 0.00 0.00 60.65 58.87 1jxs s ILE 79 Cb -0.11 -3.75 0.22 0.00 -1.58 0.00 0.00 42.46 37.24 1jxs s ILE 79 CO 0.10 -0.53 1.32 -1.81 -1.23 0.00 0.00 174.94 172.79 1jxs s ASP 80 N -3.31 2.82 0.00 3.58 1.01 -1.12 -4.77 116.67 114.88 1jxs s ASP 80 Ca 0.49 0.26 0.23 0.00 0.71 0.00 0.00 52.55 54.24 1jxs s ASP 80 Cb -0.10 -0.28 1.14 0.00 1.01 0.00 0.00 42.92 44.69 1jxs s ASP 80 CO 0.33 -2.91 1.76 -0.81 0.21 0.00 0.00 175.17 173.74 1jxs n PRO 81 N -3.89 0.27 -2.60 8.23 -0.04 -1.26 -3.05 135.00 132.67 1jxs n PRO 81 Ca 0.16 0.07 -0.11 0.00 -0.04 0.00 0.00 63.50 63.58 1jxs n PRO 81 Cb 0.59 -1.50 0.03 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 -1.32 3.63 0.00 0.55 0.00 -1.26 -4.81 120.51 117.30 1jxs n ALA 82 Ca 0.10 -3.29 0.00 0.00 0.00 0.00 0.00 53.44 50.25 1jxs n ALA 82 Cb 0.20 -0.77 0.00 0.00 0.00 0.00 0.00 19.45 18.88 1jxs n ALA 82 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1jxs n SER 83 N -0.39 0.00 -0.11 0.00 7.64 -1.20 -4.77 113.62 114.79 1jxs n SER 83 Ca 0.18 0.00 0.27 0.00 1.01 0.00 0.00 58.87 60.33 1jxs n SER 83 Cb 0.81 0.09 0.63 0.00 -1.01 0.00 0.00 64.21 64.73 1jxs n SER 83 CO 0.00 0.00 0.00 1.05 -3.01 0.00 0.00 175.04 173.08 1jxs h GLU 84 N 0.00 0.00 0.02 1.43 -0.00 -1.82 1.00 114.58 115.20 1jxs h GLU 84 Ca 0.00 0.00 -0.29 0.00 -0.00 0.00 0.00 59.36 59.07 1jxs h GLU 84 Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 28.75 28.71 1jxs h GLU 84 CO 0.00 0.00 -1.67 0.66 -0.00 0.00 0.00 179.01 178.00 1jxs h SER 85 N 0.00 0.06 -0.10 3.06 4.64 -1.89 -3.33 113.55 116.00 1jxs h SER 85 Ca 0.39 -0.12 -0.09 0.00 -0.47 0.00 0.00 61.79 61.49 1jxs h SER 85 Cb 2.07 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 64.15 1jxs h SER 85 CO -0.00 1.11 -0.31 0.11 -0.87 0.00 0.00 176.83 176.86 1jxs h LYS 86 N 0.01 0.38 -0.73 4.77 1.79 0.68 -3.26 116.57 120.21 1jxs h LYS 86 Ca -0.27 -0.28 -0.02 0.00 -2.18 0.00 0.00 60.65 57.89 1jxs h LYS 86 Cb 2.00 0.05 -0.03 0.00 -1.58 0.00 0.00 32.23 32.66 1jxs h LYS 86 CO 0.09 0.90 0.35 1.37 -1.08 0.00 0.00 179.45 181.09 1jxs h LEU 87 N -0.07 0.93 -1.60 2.94 8.10 -1.40 -0.99 115.31 123.21 1jxs h LEU 87 Ca -0.01 -0.10 0.14 0.00 0.11 0.00 0.00 57.88 58.02 1jxs h LEU 87 Cb 0.94 -0.24 -0.02 0.00 -0.44 0.00 0.00 40.66 40.90 1jxs h LEU 87 CO 0.07 0.78 0.67 0.16 -4.11 0.00 0.00 178.44 176.01 1jxs h ILE 88 N 1.03 0.18 -0.04 0.15 -2.65 -1.66 0.56 117.51 115.08 1jxs h ILE 88 Ca 0.25 0.00 -0.15 0.00 1.03 0.00 0.00 64.86 65.99 1jxs h ILE 88 Cb 0.09 0.44 0.01 0.00 -2.05 0.00 0.00 36.82 35.31 1jxs h ILE 88 CO -0.03 0.00 -0.55 -0.08 0.03 0.00 0.00 178.15 177.51 1jxs h GLU 89 N 0.00 0.45 0.00 0.16 4.57 -1.30 0.18 114.58 118.63 1jxs h GLU 89 Ca 0.22 -0.43 -0.02 0.00 -1.18 0.00 0.00 59.36 57.96 1jxs h GLU 89 Cb 1.56 0.11 -0.00 0.00 -0.16 0.00 0.00 28.75 30.25 1jxs h GLU 89 CO -0.00 1.07 -0.08 0.37 -1.18 0.00 0.00 179.01 179.19 1jxs h GLN 90 N -0.02 0.00 0.00 1.92 5.75 0.06 -2.22 115.11 120.59 1jxs h GLN 90 Ca -0.06 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.44 1jxs h GLN 90 Cb 1.23 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.78 1jxs h GLN 90 CO 0.11 0.08 -1.36 0.00 -2.65 0.00 0.00 178.83 175.01 1jxs n ALA 91 N -2.24 3.93 -0.08 3.38 0.00 -0.81 -4.20 120.51 120.49 1jxs n ALA 91 Ca -0.02 -0.55 -0.10 0.00 0.00 0.00 0.00 53.44 52.77 1jxs n ALA 91 Cb 0.20 -0.73 0.06 0.00 0.00 0.00 0.00 19.45 18.98 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 -1.78 1.25 -0.66 0.00 3.01 0.61 -4.80 117.46 115.10 1jxs n PHE 92 Ca 0.01 -1.19 0.00 0.00 1.01 0.00 0.00 57.45 57.28 1jxs n PHE 92 Cb 0.41 -0.60 0.00 0.00 -0.01 0.00 0.00 39.48 39.28 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 -0.03 0.00 -0.35 -1.08 0.63 -1.25 -5.00 116.66 109.58 1jxs n ARG 93 Ca 0.24 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.17 1jxs n ARG 93 Cb 0.90 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.81 1jxs n ARG 93 CO 0.00 0.00 0.00 0.36 -2.51 0.00 0.00 177.63 175.48 1jxs n LYS 94 N 0.00 0.00 -2.04 -0.14 2.85 -1.26 -5.04 118.16 112.53 1jxs n LYS 94 Ca 0.00 0.00 -0.29 0.00 -1.05 0.00 0.00 58.31 56.97 1jxs n LYS 94 Cb 0.00 0.00 0.03 0.00 -0.65 0.00 0.00 35.03 34.41 1jxs n LYS 94 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 177.40 176.37 1jxs s ARG 95 N 0.31 3.12 -0.44 -1.58 1.70 -1.26 -4.93 118.95 115.86 1jxs s ARG 95 Ca 0.00 0.42 0.02 0.00 -0.47 0.00 0.00 55.73 55.70 1jxs s ARG 95 Cb 0.00 -2.11 0.13 0.00 -0.57 0.00 0.00 34.95 32.40 1jxs s ARG 95 CO 0.00 -0.78 0.23 0.50 -1.08 0.00 0.00 175.30 174.17 1jxs s ARG 96 N -5.19 1.36 0.01 3.89 3.52 -1.26 -5.09 118.95 116.18 1jxs s ARG 96 Ca 0.56 -2.05 -0.30 0.00 -0.13 0.00 0.00 55.73 53.80 1jxs s ARG 96 Cb -0.11 -2.46 -0.03 0.00 -1.56 0.00 0.00 34.95 30.79 1jxs s ARG 96 CO 0.50 -1.15 1.04 -1.25 -0.81 0.00 0.00 175.30 173.64 1jxs s PRO 97 N 0.32 4.52 0.00 5.12 0.04 -1.26 -5.29 135.00 138.45 1jxs s PRO 97 Ca 0.17 1.51 0.02 0.00 0.04 0.00 0.00 61.00 62.74 1jxs s PRO 97 Cb -0.24 -3.44 0.14 0.00 0.04 0.00 0.00 34.50 31.00 1jxs s PRO 97 CO -0.00 -0.13 0.63 0.54 0.04 0.00 0.00 177.00 178.08