#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xxs h LEU 2 N 0.00 0.44 -0.24 1.04 3.38 -1.51 -1.83 115.31 116.60 1xxs h LEU 2 Ca 0.00 0.13 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 1xxs h LEU 2 Cb 0.00 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1xxs h LEU 2 CO 0.00 -0.04 0.06 0.15 0.09 0.00 0.00 178.44 178.70 1xxs h PHE 3 N 0.32 0.39 -0.44 1.13 3.57 -1.96 -1.04 116.94 118.91 1xxs h PHE 3 Ca 0.69 -0.05 -0.01 0.00 3.53 0.00 0.00 57.97 62.13 1xxs h PHE 3 Cb 1.78 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 40.39 1xxs h PHE 3 CO -0.01 0.47 0.22 0.93 -2.23 0.00 0.00 178.31 177.69 1xxs h GLU 4 N 0.20 0.63 -0.47 1.11 3.07 -1.74 -1.09 114.58 116.30 1xxs h GLU 4 Ca 0.07 -0.09 0.06 0.00 -0.50 0.00 0.00 59.36 58.91 1xxs h GLU 4 Cb 0.27 -0.12 -0.06 0.00 -0.84 0.00 0.00 28.75 28.01 1xxs h GLU 4 CO 0.00 0.53 0.16 1.25 -1.40 0.00 0.00 179.01 179.55 1xxs h LEU 5 N 0.57 0.15 -0.54 1.33 5.85 -1.41 -0.82 115.31 120.44 1xxs h LEU 5 Ca 0.15 0.06 -0.14 0.00 0.84 0.00 0.00 57.88 58.79 1xxs h LEU 5 Cb 0.11 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 1xxs h LEU 5 CO -0.02 0.11 -0.31 1.23 -0.34 0.00 0.00 178.44 179.11 1xxs h GLY 6 N 0.32 0.92 0.99 3.75 0.00 -0.92 -1.79 103.07 106.33 1xxs h GLY 6 Ca 0.22 -0.86 -0.00 0.00 0.00 0.00 0.00 47.33 46.69 1xxs h GLY 6 CO -0.24 0.78 0.29 1.70 0.00 0.00 0.00 176.54 179.07 1xxs h LYS 7 N 0.71 0.63 -0.72 4.80 3.64 -0.92 -1.70 116.57 123.01 1xxs h LYS 7 Ca 0.08 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1xxs h LYS 7 Cb 0.86 -0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 32.52 1xxs h LYS 7 CO 0.08 0.45 0.46 0.52 -2.27 0.00 0.00 179.45 178.69 1xxs h MET 8 N 0.62 0.96 -0.31 1.90 2.86 -0.55 0.24 114.93 120.65 1xxs h MET 8 Ca 0.17 -0.07 -0.04 0.00 -2.06 0.00 0.00 59.70 57.70 1xxs h MET 8 Cb -0.02 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 31.42 1xxs h MET 8 CO -0.03 0.65 0.02 0.82 1.06 0.00 0.00 176.91 179.43 1xxs h ILE 9 N 0.98 1.25 -0.41 -1.22 2.04 -1.20 0.14 117.51 119.08 1xxs h ILE 9 Ca 0.26 -0.89 0.03 0.00 1.00 0.00 0.00 64.86 65.26 1xxs h ILE 9 Cb -0.08 1.23 -0.03 0.00 -0.74 0.00 0.00 36.82 37.19 1xxs h ILE 9 CO -0.05 0.29 0.21 0.25 0.00 0.00 0.00 178.15 178.85 1xxs h LEU 10 N 0.33 0.31 -0.35 1.44 5.85 -0.72 -0.47 115.31 121.70 1xxs h LEU 10 Ca 0.09 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.83 1xxs h LEU 10 Cb 0.40 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.37 1xxs h LEU 10 CO 0.01 0.22 0.22 1.56 -0.34 0.00 0.00 178.44 180.12 1xxs h GLN 11 N 0.42 0.47 -0.06 1.25 4.20 -0.06 0.35 115.11 121.69 1xxs h GLN 11 Ca 0.17 -0.04 -0.24 0.00 0.06 0.00 0.00 58.65 58.61 1xxs h GLN 11 Cb 0.07 -0.10 0.02 0.00 0.30 0.00 0.00 27.48 27.77 1xxs h GLN 11 CO -0.12 0.34 -0.89 0.93 -0.67 0.00 0.00 178.83 178.42 1xxs h GLU 12 N 0.47 0.70 0.00 1.46 4.39 -0.48 -3.36 114.58 117.76 1xxs h GLU 12 Ca 0.13 -0.68 -0.18 0.00 0.34 0.00 0.00 59.36 58.96 1xxs h GLU 12 Cb -0.02 0.18 -0.03 0.00 -0.10 0.00 0.00 28.75 28.77 1xxs h GLU 12 CO -0.03 1.27 -1.92 0.25 -1.16 0.00 0.00 179.01 177.42 1xxs n THR 13 N -3.93 0.87 -0.91 1.13 -2.24 -0.21 -4.75 114.28 104.24 1xxs n THR 13 Ca -0.10 -0.69 0.00 0.00 -2.27 0.00 0.00 64.05 61.00 1xxs n THR 13 Cb 0.81 -0.40 0.00 0.00 -2.10 0.00 0.00 70.33 68.64 1xxs n THR 13 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xxs n GLY 15 N 1.47 0.85 3.82 3.38 0.00 0.11 -5.03 105.19 109.79 1xxs n GLY 15 Ca -0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.54 1xxs n GLY 15 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xxs s LYS 16 N -0.09 3.14 -0.17 1.61 -0.14 -1.26 -5.04 119.74 117.79 1xxs s LYS 16 Ca 0.00 -0.48 -0.29 0.00 -1.36 0.00 0.00 55.97 53.84 1xxs s LYS 16 Cb 0.00 -2.90 -0.06 0.00 -1.68 0.00 0.00 37.83 33.18 1xxs s LYS 16 CO 0.00 0.64 2.17 -1.71 -0.76 0.00 0.00 175.35 175.69 1xxs n ASN 17 N 0.98 3.39 -0.02 2.83 4.05 -1.26 -4.22 115.26 121.01 1xxs n ASN 17 Ca -0.11 0.37 -0.07 0.00 0.45 0.00 0.00 54.58 55.22 1xxs n ASN 17 Cb 0.52 -1.53 0.11 0.00 1.23 0.00 0.00 39.78 40.11 1xxs n ASN 17 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 177.26 175.76 1xxs h PRO 18 N 13.91 0.59 -0.01 1.20 0.13 -1.92 0.13 132.00 146.02 1xxs h PRO 18 Ca -0.42 -0.28 -0.00 0.00 -0.87 0.00 0.00 66.00 64.42 1xxs h PRO 18 Cb 1.25 -0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.37 1xxs h PRO 18 CO 0.96 0.86 0.00 0.00 -0.23 0.00 0.00 178.00 179.59 1xxs h ALA 19 N 1.11 0.02 0.01 -0.56 0.00 -1.93 0.38 119.26 118.29 1xxs h ALA 19 Ca 0.05 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1xxs h ALA 19 Cb 0.86 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1xxs h ALA 19 CO 0.07 -0.34 -0.01 -0.22 0.00 0.00 0.00 179.25 178.76 1xxs h LYS 20 N -0.25 -0.02 0.00 0.00 3.64 -1.93 0.33 116.57 118.34 1xxs h LYS 20 Ca 0.00 0.00 -0.19 0.00 -1.27 0.00 0.00 60.65 59.19 1xxs h LYS 20 Cb 0.29 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.08 1xxs h LYS 20 CO 0.00 0.10 -0.92 0.77 -2.27 0.00 0.00 179.45 177.14 1xxs h SER 21 N -0.13 0.01 0.00 4.20 0.02 -0.76 -3.40 113.55 113.49 1xxs h SER 21 Ca -0.00 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1xxs h SER 21 Cb 0.13 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.67 1xxs h SER 21 CO 0.00 0.92 0.00 -1.22 -1.14 0.00 0.00 176.83 175.39 1xxs n TYR 22 N -3.46 0.00 0.24 3.45 4.02 0.13 -4.63 117.16 116.91 1xxs n TYR 22 Ca -0.00 0.00 0.09 0.00 -0.01 0.00 0.00 57.90 57.98 1xxs n TYR 22 Cb 0.87 0.00 0.60 0.00 -0.02 0.00 0.00 39.34 40.78 1xxs n TYR 22 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 176.86 176.63 1xxs h GLY 23 N 0.00 0.00 -3.79 2.72 0.00 -0.01 -2.85 103.07 99.14 1xxs h GLY 23 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.11 1xxs h GLY 23 CO 0.00 0.00 -0.99 -0.62 0.00 0.00 0.00 176.54 174.93 1xxs n VAL 24 N -3.86 1.00 -2.97 4.60 0.31 -1.25 -1.45 118.33 114.70 1xxs n VAL 24 Ca -0.02 -2.32 -0.40 0.00 -0.01 0.00 0.00 64.34 61.59 1xxs n VAL 24 Cb 0.28 0.76 -0.04 0.00 -0.91 0.00 0.00 33.84 33.92 1xxs n VAL 24 CO 0.00 0.00 0.00 -0.47 -1.32 0.00 0.00 176.83 175.04 1xxs s TYR 25 N -2.20 3.63 0.00 3.52 6.14 -1.08 0.07 117.35 127.43 1xxs s TYR 25 Ca 0.34 1.39 0.00 0.00 0.64 0.00 0.00 57.07 59.44 1xxs s TYR 25 Cb 0.36 -2.87 0.00 0.00 0.42 0.00 0.00 41.96 39.88 1xxs s TYR 25 CO -0.09 0.12 0.00 0.41 0.64 0.00 0.00 175.55 176.63 1xxs n GLY 26 N 2.88 0.89 0.28 8.97 0.00 -0.66 -1.55 105.19 116.00 1xxs n GLY 26 Ca -0.00 -0.68 0.09 0.00 0.00 0.00 0.00 46.02 45.42 1xxs n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xxs n ASN 28 N -0.52 3.64 -4.70 0.00 3.02 -1.23 -3.20 115.26 112.26 1xxs n ASN 28 Ca 0.06 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.20 1xxs n ASN 28 Cb 0.35 0.67 -0.04 0.00 -0.61 0.00 0.00 39.78 40.15 1xxs n ASN 28 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1xxs n GLY 30 N 3.11 0.46 3.76 0.00 0.00 -1.20 -3.03 105.19 108.30 1xxs n GLY 30 Ca 0.02 -0.93 -0.37 0.00 0.00 0.00 0.00 46.02 44.74 1xxs n GLY 30 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1xxs s VAL 31 N 0.00 2.69 0.00 1.61 -7.23 -0.53 -4.75 120.40 112.19 1xxs s VAL 31 Ca 0.00 0.50 0.00 0.00 -1.81 0.00 0.00 61.98 60.67 1xxs s VAL 31 Cb 0.00 -3.24 0.00 0.00 0.56 0.00 0.00 36.38 33.70 1xxs s VAL 31 CO 0.00 -0.02 0.00 0.61 -0.31 0.00 0.00 175.10 175.38 1xxs n GLY 32 N 0.54 -1.79 0.00 2.32 0.00 -1.26 -4.95 105.19 100.06 1xxs n GLY 32 Ca 0.09 -1.93 0.00 0.00 0.00 0.00 0.00 46.02 44.19 1xxs n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xxs n GLY 33 N 0.00 2.64 3.94 -0.02 0.00 -1.26 -5.05 105.19 105.43 1xxs n GLY 33 Ca 0.00 -1.88 -0.20 0.00 0.00 0.00 0.00 46.02 43.94 1xxs n GLY 33 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xxs s ARG 34 N 3.52 2.94 0.28 1.61 0.52 -1.26 -4.48 118.95 122.08 1xxs s ARG 34 Ca 0.00 -1.14 -0.20 0.00 -0.52 0.00 0.00 55.73 53.87 1xxs s ARG 34 Cb 0.00 -2.68 0.06 0.00 0.52 0.00 0.00 34.95 32.85 1xxs s ARG 34 CO 0.00 0.06 0.89 0.20 0.02 0.00 0.00 175.30 176.46 1xxs s GLY 35 N -4.11 0.16 0.16 -3.53 0.00 -1.20 -4.39 107.32 94.42 1xxs s GLY 35 Ca 0.44 -0.46 -0.31 0.00 0.00 0.00 0.00 44.72 44.38 1xxs s GLY 35 CO 0.29 0.69 1.56 1.25 0.00 0.00 0.00 173.10 176.89 1xxs s LYS 36 N -2.54 4.22 0.31 2.90 2.20 0.19 -4.68 119.74 122.35 1xxs s LYS 36 Ca 0.17 2.34 -0.29 0.00 -0.36 0.00 0.00 55.97 57.83 1xxs s LYS 36 Cb -0.04 -3.18 -0.11 0.00 -1.51 0.00 0.00 37.83 32.99 1xxs s LYS 36 CO 0.08 -0.60 1.53 -1.25 -0.36 0.00 0.00 175.35 174.75 1xxs s PRO 37 N 1.21 4.15 0.14 4.03 0.04 -1.26 -4.64 135.00 138.67 1xxs s PRO 37 Ca 0.70 2.53 0.06 0.00 0.04 0.00 0.00 61.00 64.32 1xxs s PRO 37 Cb -0.43 -3.02 -0.12 0.00 0.04 0.00 0.00 34.50 30.97 1xxs s PRO 37 CO 0.31 -0.56 1.32 0.87 0.04 0.00 0.00 177.00 178.98 1xxs h LYS 38 N 4.25 0.05 0.00 4.56 1.79 -1.90 -3.47 116.57 121.85 1xxs h LYS 38 Ca -0.48 -0.07 0.03 0.00 -2.18 0.00 0.00 60.65 57.94 1xxs h LYS 38 Cb 1.23 0.02 -0.00 0.00 -1.58 0.00 0.00 32.23 31.90 1xxs h LYS 38 CO 0.74 0.97 0.11 -0.40 -1.08 0.00 0.00 179.45 179.79 1xxs n ASP 39 N -3.46 -0.39 -0.24 0.86 5.68 -1.26 -4.97 116.55 112.77 1xxs n ASP 39 Ca -0.01 -1.22 -0.07 0.00 -0.50 0.00 0.00 54.79 52.99 1xxs n ASP 39 Cb 0.89 0.64 0.04 0.00 -1.14 0.00 0.00 41.12 41.55 1xxs n ASP 39 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1xxs h ALA 40 N 2.00 0.86 -0.34 2.12 0.00 -1.93 -0.78 119.26 121.20 1xxs h ALA 40 Ca -0.06 -0.17 0.06 0.00 0.00 0.00 0.00 54.91 54.74 1xxs h ALA 40 Cb 0.26 -0.26 -0.06 0.00 0.00 0.00 0.00 17.79 17.73 1xxs h ALA 40 CO 0.08 0.47 -0.01 1.15 0.00 0.00 0.00 179.25 180.94 1xxs h THR 41 N 0.94 0.74 -0.35 0.00 2.02 -1.90 -1.11 112.91 113.25 1xxs h THR 41 Ca 0.22 -0.03 -0.05 0.00 0.77 0.00 0.00 66.41 67.33 1xxs h THR 41 Cb 0.19 0.65 -0.02 0.00 -1.74 0.00 0.00 68.15 67.22 1xxs h THR 41 CO -0.02 0.02 0.02 -0.78 0.37 0.00 0.00 175.52 175.12 1xxs h ASP 42 N 0.09 0.50 -0.42 4.18 -0.00 -1.80 -2.41 116.42 116.55 1xxs h ASP 42 Ca 0.16 -0.09 -0.10 0.00 -0.00 0.00 0.00 57.03 57.00 1xxs h ASP 42 Cb 0.23 -0.13 -0.02 0.00 -0.00 0.00 0.00 39.33 39.41 1xxs h ASP 42 CO -0.28 0.55 -0.11 -0.09 -0.00 0.00 0.00 179.24 179.31 1xxs h ARG 43 N 0.51 0.89 -0.64 0.28 2.43 -0.34 -0.35 114.38 117.15 1xxs h ARG 43 Ca 0.11 -0.31 0.13 0.00 -0.81 0.00 0.00 59.98 59.10 1xxs h ARG 43 Cb 0.30 -0.07 -0.10 0.00 -0.42 0.00 0.00 29.97 29.69 1xxs h ARG 43 CO 0.01 0.95 0.10 0.00 -1.51 0.00 0.00 179.97 179.52 1xxs h TYR 46 N 0.31 0.01 -0.27 0.00 5.03 -0.90 -1.69 116.97 119.45 1xxs h TYR 46 Ca 0.00 0.01 -0.10 0.00 2.58 0.00 0.00 58.73 61.23 1xxs h TYR 46 Cb 1.06 0.03 -0.01 0.00 1.55 0.00 0.00 36.73 39.36 1xxs h TYR 46 CO 0.03 -0.02 -0.26 0.28 -1.32 0.00 0.00 178.16 176.87 1xxs h VAL 47 N 0.08 1.27 -0.15 1.81 2.07 -0.69 -2.34 116.25 118.30 1xxs h VAL 47 Ca 0.09 -1.31 -0.00 0.00 0.82 0.00 0.00 66.70 66.30 1xxs h VAL 47 Cb 0.11 1.35 -0.01 0.00 -1.52 0.00 0.00 31.29 31.22 1xxs h VAL 47 CO -0.15 0.42 0.08 -0.74 0.02 0.00 0.00 177.57 177.19 1xxs h HIS 48 N 0.47 0.21 -0.39 1.57 -0.00 -1.05 0.62 115.15 116.57 1xxs h HIS 48 Ca 0.07 -0.01 -0.02 0.00 -0.00 0.00 0.00 60.37 60.41 1xxs h HIS 48 Cb 0.70 -0.07 -0.02 0.00 -0.00 0.00 0.00 27.41 28.03 1xxs h HIS 48 CO 0.03 0.23 0.17 0.87 -0.00 0.00 0.00 177.93 179.22 1xxs h LYS 49 N 0.12 0.55 -0.51 5.26 1.57 -1.08 -0.95 116.57 121.54 1xxs h LYS 49 Ca 0.05 -0.07 -0.11 0.00 -1.87 0.00 0.00 60.65 58.65 1xxs h LYS 49 Cb 0.10 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.28 1xxs h LYS 49 CO -0.01 0.45 -0.13 0.00 -0.57 0.00 0.00 179.45 179.19 1xxs h TYR 52 N 0.53 0.78 0.00 0.00 -1.99 -1.01 -2.71 116.97 112.57 1xxs h TYR 52 Ca 0.24 0.02 -0.04 0.00 2.00 0.00 0.00 58.73 60.95 1xxs h TYR 52 Cb 0.15 -0.26 -0.01 0.00 2.00 0.00 0.00 36.73 38.61 1xxs h TYR 52 CO -0.10 0.41 -0.20 0.87 -0.00 0.00 0.00 178.16 179.14 1xxs h LYS 53 N 0.77 0.00 -0.01 4.88 1.57 -0.87 -2.38 116.57 120.53 1xxs h LYS 53 Ca 0.31 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.09 1xxs h LYS 53 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.56 1xxs h LYS 53 CO -0.10 0.20 -0.06 0.36 -0.57 0.00 0.00 179.45 179.28 1xxs n LYS 57 N -3.89 1.49 -2.58 3.15 2.85 -1.02 -4.87 118.16 113.29 1xxs n LYS 57 Ca -0.02 -0.87 -0.40 0.00 -1.05 0.00 0.00 58.31 55.97 1xxs n LYS 57 Cb 0.29 -1.48 -0.05 0.00 -0.65 0.00 0.00 35.03 33.14 1xxs n LYS 57 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1xxs s LEU 58 N -2.12 4.59 0.02 -5.58 1.43 -0.90 -5.06 118.68 111.06 1xxs s LEU 58 Ca 0.35 2.15 0.04 0.00 -1.03 0.00 0.00 54.13 55.64 1xxs s LEU 58 Cb 0.21 -3.62 -0.02 0.00 0.03 0.00 0.00 46.19 42.78 1xxs s LEU 58 CO 0.38 -0.03 -0.12 0.42 0.23 0.00 0.00 176.35 177.23 1xxs s THR 59 N -1.17 0.90 0.00 5.49 -4.23 -1.26 -4.88 115.64 110.49 1xxs s THR 59 Ca 0.43 -0.78 0.00 0.00 -1.18 0.00 0.00 61.69 60.16 1xxs s THR 59 Cb -0.30 -0.81 0.00 0.00 1.34 0.00 0.00 72.50 72.73 1xxs s THR 59 CO 0.38 0.04 0.00 0.61 -0.54 0.00 0.00 174.62 175.10 1xxs n GLY 60 N 2.21 0.58 3.31 3.99 0.00 -1.26 -4.52 105.19 109.49 1xxs n GLY 60 Ca -0.17 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.75 1xxs n GLY 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xxs s ASP 67 N -2.85 5.77 0.30 0.00 3.68 -1.26 -4.99 116.67 117.32 1xxs s ASP 67 Ca 0.06 -0.84 0.01 0.00 2.13 0.00 0.00 52.55 53.91 1xxs s ASP 67 Cb 0.03 -2.05 0.56 0.00 -1.45 0.00 0.00 42.92 40.01 1xxs s ASP 67 CO -0.09 -0.34 1.88 -0.65 0.13 0.00 0.00 175.17 176.09 1xxs h PRO 68 N 8.45 0.97 0.00 4.34 0.11 -1.95 0.96 132.00 144.89 1xxs h PRO 68 Ca -0.28 -0.06 -0.20 0.00 0.11 0.00 0.00 66.00 65.58 1xxs h PRO 68 Cb 1.12 -0.22 -0.03 0.00 0.11 0.00 0.00 31.00 31.98 1xxs h PRO 68 CO 0.66 0.64 -0.94 0.87 -0.21 0.00 0.00 178.00 179.03 1xxs h LYS 69 N 1.00 0.00 0.00 1.05 1.57 -1.94 -3.24 116.57 115.01 1xxs h LYS 69 Ca 0.44 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.99 1xxs h LYS 69 Cb 0.34 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.61 1xxs h LYS 69 CO -0.19 0.94 -1.86 1.63 -0.57 0.00 0.00 179.45 179.40 1xxs n LYS 70 N -3.35 1.70 -2.88 3.15 5.02 -1.08 -1.78 118.16 118.94 1xxs n LYS 70 Ca 0.00 0.01 -0.41 0.00 -2.02 0.00 0.00 58.31 55.89 1xxs n LYS 70 Cb 0.91 -1.32 -0.04 0.00 -0.02 0.00 0.00 35.03 34.56 1xxs n LYS 70 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1xxs s ASP 71 N -4.70 7.04 0.51 4.39 -0.00 0.31 -4.68 116.67 119.54 1xxs s ASP 71 Ca -0.09 1.27 -0.19 0.00 -0.00 0.00 0.00 52.55 53.55 1xxs s ASP 71 Cb 0.04 -2.47 -0.08 0.00 -0.00 0.00 0.00 42.92 40.41 1xxs s ASP 71 CO 0.48 -0.33 1.01 -0.13 -0.00 0.00 0.00 175.17 176.21 1xxs s ARG 72 N 1.71 3.80 0.21 8.23 0.52 -1.26 0.33 118.95 132.49 1xxs s ARG 72 Ca 0.41 1.19 -0.02 0.00 -0.52 0.00 0.00 55.73 56.78 1xxs s ARG 72 Cb -0.17 -2.11 -0.04 0.00 0.52 0.00 0.00 34.95 33.15 1xxs s ARG 72 CO 0.16 -0.41 0.18 1.52 0.02 0.00 0.00 175.30 176.77 1xxs s TYR 73 N -2.27 1.07 0.00 -0.53 1.13 -1.26 -4.76 117.35 110.74 1xxs s TYR 73 Ca 0.64 -1.31 0.03 0.00 -1.41 0.00 0.00 57.07 55.02 1xxs s TYR 73 Cb -0.13 -0.47 -0.03 0.00 -1.10 0.00 0.00 41.96 40.22 1xxs s TYR 73 CO 0.25 -0.69 -0.07 -1.54 -2.51 0.00 0.00 175.55 170.99 1xxs s SER 74 N -3.15 4.58 0.21 -0.18 1.04 -1.26 -4.89 113.70 110.06 1xxs s SER 74 Ca 0.37 -0.15 -0.11 0.00 0.48 0.00 0.00 55.95 56.54 1xxs s SER 74 Cb 0.06 -1.06 -0.01 0.00 0.10 0.00 0.00 66.02 65.11 1xxs s SER 74 CO 0.12 0.29 0.39 -0.72 0.98 0.00 0.00 173.24 174.30 1xxs s TYR 75 N -0.98 0.42 0.16 5.02 -0.85 -1.26 -0.90 117.35 118.95 1xxs s TYR 75 Ca 0.17 -0.76 0.06 0.00 -0.52 0.00 0.00 57.07 56.01 1xxs s TYR 75 Cb -0.11 0.06 -0.04 0.00 0.38 0.00 0.00 41.96 42.24 1xxs s TYR 75 CO 0.07 -0.87 -0.12 -1.54 -1.52 0.00 0.00 175.55 171.57 1xxs s SER 76 N -3.01 2.03 -0.41 -0.18 1.04 -0.46 -4.91 113.70 107.81 1xxs s SER 76 Ca 0.22 -1.00 -0.07 0.00 0.48 0.00 0.00 55.95 55.57 1xxs s SER 76 Cb 0.01 -0.05 0.08 0.00 0.10 0.00 0.00 66.02 66.16 1xxs s SER 76 CO 0.06 -0.27 0.23 0.86 0.98 0.00 0.00 173.24 175.09 1xxs s TRP 77 N -3.16 3.38 -0.22 5.02 -0.00 -1.26 -0.66 118.94 122.04 1xxs s TRP 77 Ca 0.18 -1.74 0.02 0.00 -0.00 0.00 0.00 56.10 54.55 1xxs s TRP 77 Cb 0.01 -2.95 0.05 0.00 -0.00 0.00 0.00 33.47 30.58 1xxs s TRP 77 CO 0.03 -0.87 -0.12 0.15 -0.00 0.00 0.00 176.95 176.13 1xxs s LYS 78 N 1.35 2.29 -1.47 5.86 1.02 0.10 -4.66 119.74 124.23 1xxs s LYS 78 Ca 0.03 -1.04 -0.06 0.00 0.02 0.00 0.00 55.97 54.92 1xxs s LYS 78 Cb -0.23 -2.64 0.05 0.00 -0.52 0.00 0.00 37.83 34.49 1xxs s LYS 78 CO 0.00 -0.45 0.63 -0.25 -0.92 0.00 0.00 175.35 174.37 1xxs n ASP 79 N 4.57 -1.80 -3.05 2.83 8.00 -1.26 -0.55 116.55 125.29 1xxs n ASP 79 Ca -0.16 -0.94 -0.22 0.00 0.71 0.00 0.00 54.79 54.19 1xxs n ASP 79 Cb 0.45 -3.31 0.02 0.00 -0.02 0.00 0.00 41.12 38.27 1xxs n ASP 79 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1xxs n LYS 80 N -4.42 -4.32 -4.83 -1.24 5.02 -1.26 -4.97 118.16 102.13 1xxs n LYS 80 Ca -0.17 0.81 -0.25 0.00 -2.02 0.00 0.00 58.31 56.67 1xxs n LYS 80 Cb 0.62 -5.62 -0.16 0.00 -0.02 0.00 0.00 35.03 29.85 1xxs n LYS 80 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1xxs s THR 81 N -3.10 1.39 -0.05 -0.18 2.01 0.28 -5.07 115.64 110.93 1xxs s THR 81 Ca 0.30 -0.73 -0.28 0.00 0.31 0.00 0.00 61.69 61.29 1xxs s THR 81 Cb -0.14 -1.18 -0.03 0.00 0.01 0.00 0.00 72.50 71.17 1xxs s THR 81 CO 0.37 0.40 0.91 -0.63 -0.69 0.00 0.00 174.62 174.98 1xxs s ILE 82 N -0.19 4.89 -0.18 1.82 1.01 -1.26 0.02 121.20 127.30 1xxs s ILE 82 Ca 0.02 1.89 0.01 0.00 0.00 0.00 0.00 60.65 62.57 1xxs s ILE 82 Cb -0.09 -4.24 0.03 0.00 0.01 0.00 0.00 42.46 38.17 1xxs s ILE 82 CO 0.01 0.13 -0.13 -0.69 0.00 0.00 0.00 174.94 174.25 1xxs s VAL 83 N 1.32 1.71 0.25 2.92 1.01 0.17 -4.96 120.40 122.81 1xxs s VAL 83 Ca 0.47 -0.91 -0.30 0.00 0.00 0.00 0.00 61.98 61.24 1xxs s VAL 83 Cb -0.19 -1.69 -0.09 0.00 0.00 0.00 0.00 36.38 34.40 1xxs s VAL 83 CO 0.22 0.31 1.04 0.00 0.00 0.00 0.00 175.10 176.68 1xxs h GLY 85 N 4.13 -0.06 -6.84 0.00 0.00 -1.37 -3.48 103.07 95.45 1xxs h GLY 85 Ca -0.46 0.02 -0.53 0.00 0.00 0.00 0.00 47.33 46.36 1xxs h GLY 85 CO 0.68 -0.02 -0.78 -0.54 0.00 0.00 0.00 176.54 175.88 1xxs s GLU 86 N -1.83 0.24 0.00 4.80 8.01 -1.26 -5.05 118.70 123.60 1xxs s GLU 86 Ca -0.03 -0.57 0.00 0.00 0.01 0.00 0.00 54.97 54.38 1xxs s GLU 86 Cb -0.00 -1.27 0.00 0.00 -4.31 0.00 0.00 34.13 28.55 1xxs s GLU 86 CO 0.11 -1.00 0.00 0.09 0.01 0.00 0.00 175.26 174.47 1xxs n ASN 87 N 5.21 0.00 -1.09 -0.19 3.02 -1.26 -4.43 115.26 116.52 1xxs n ASN 87 Ca -0.06 0.00 -0.13 0.00 -0.03 0.00 0.00 54.58 54.36 1xxs n ASN 87 Cb 0.42 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.56 1xxs n ASN 87 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1xxs n ASN 88 N 0.04 0.14 -0.37 6.41 2.85 -1.26 -4.58 115.26 118.49 1xxs n ASN 88 Ca 0.00 0.12 0.02 0.00 -0.11 0.00 0.00 54.58 54.61 1xxs n ASN 88 Cb 0.00 -0.23 0.17 0.00 1.24 0.00 0.00 39.78 40.96 1xxs n ASN 88 CO 0.00 0.00 0.00 -1.28 -2.11 0.00 0.00 177.26 173.87 1xxs h SER 89 N 2.56 1.06 -0.23 1.20 0.87 -1.97 -0.07 113.55 116.98 1xxs h SER 89 Ca -0.02 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.51 1xxs h SER 89 Cb 0.35 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.07 1xxs h SER 89 CO 0.30 0.70 0.02 0.00 -0.53 0.00 0.00 176.83 177.33 1xxs h LEU 92 N 0.18 0.67 -0.22 0.00 3.38 -1.40 0.21 115.31 118.14 1xxs h LEU 92 Ca 0.07 -0.23 -0.00 0.00 0.09 0.00 0.00 57.88 57.80 1xxs h LEU 92 Cb 0.35 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 1xxs h LEU 92 CO 0.01 0.88 0.12 0.50 0.09 0.00 0.00 178.44 180.03 1xxs h LYS 93 N 0.58 0.30 -0.39 1.13 1.63 -1.16 0.82 116.57 119.49 1xxs h LYS 93 Ca 0.08 -0.04 -0.07 0.00 -0.85 0.00 0.00 60.65 59.78 1xxs h LYS 93 Cb 0.69 -0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 32.25 1xxs h LYS 93 CO 0.05 0.29 -0.04 0.93 -3.45 0.00 0.00 179.45 177.23 1xxs h GLU 94 N 0.24 0.64 -0.01 1.90 5.08 -1.17 0.71 114.58 121.96 1xxs h GLU 94 Ca 0.08 -0.17 -0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1xxs h GLU 94 Cb 0.08 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 1xxs h GLU 94 CO -0.01 0.68 0.01 1.25 -1.00 0.00 0.00 179.01 179.94 1xxs h LEU 95 N 0.60 0.02 -0.75 1.33 5.85 -0.37 0.09 115.31 122.09 1xxs h LEU 95 Ca 0.12 -0.11 0.06 0.00 0.84 0.00 0.00 57.88 58.79 1xxs h LEU 95 Cb 0.43 -0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.40 1xxs h LEU 95 CO 0.02 0.13 0.44 0.00 -0.34 0.00 0.00 178.44 178.68 1xxs h GLU 97 N 0.80 0.55 -0.06 0.00 4.39 -0.34 0.29 114.58 120.20 1xxs h GLU 97 Ca 0.33 -0.17 0.03 0.00 0.34 0.00 0.00 59.36 59.89 1xxs h GLU 97 Cb 0.19 -0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 28.75 1xxs h GLU 97 CO -0.18 0.68 -0.18 0.00 -1.16 0.00 0.00 179.01 178.18 1xxs h ASP 99 N -0.26 0.78 -0.43 0.00 3.32 -0.67 -2.40 116.42 116.76 1xxs h ASP 99 Ca 0.07 -0.36 0.06 0.00 0.02 0.00 0.00 57.03 56.82 1xxs h ASP 99 Cb 0.36 -0.21 -0.05 0.00 0.22 0.00 0.00 39.33 39.65 1xxs h ASP 99 CO -0.21 0.96 0.15 0.50 -1.72 0.00 0.00 179.24 178.92 1xxs h LYS 100 N 0.60 0.30 -0.78 3.56 3.64 -0.92 -0.85 116.57 122.11 1xxs h LYS 100 Ca 0.11 -0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.42 1xxs h LYS 100 Cb 0.60 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.32 1xxs h LYS 100 CO 0.04 0.20 0.31 0.00 -2.27 0.00 0.00 179.45 177.73 1xxs h ALA 101 N 1.29 1.06 -0.67 5.00 0.00 -1.17 -1.66 119.26 123.11 1xxs h ALA 101 Ca 0.20 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 1xxs h ALA 101 Cb 0.20 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 1xxs h ALA 101 CO -0.21 0.66 0.27 -0.24 0.00 0.00 0.00 179.25 179.73 1xxs h VAL 102 N 1.14 1.24 -0.48 0.00 3.04 -0.91 -0.92 116.25 119.36 1xxs h VAL 102 Ca 0.26 -0.74 -0.06 0.00 -1.01 0.00 0.00 66.70 65.15 1xxs h VAL 102 Cb 0.22 0.48 -0.02 0.00 -2.01 0.00 0.00 31.29 29.96 1xxs h VAL 102 CO -0.02 0.29 0.06 0.00 -1.01 0.00 0.00 177.57 176.89 1xxs h ALA 103 N 1.12 0.63 -0.42 3.17 0.00 -0.60 0.48 119.26 123.63 1xxs h ALA 103 Ca 0.22 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1xxs h ALA 103 Cb 0.20 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1xxs h ALA 103 CO -0.02 0.38 0.15 0.82 0.00 0.00 0.00 179.25 180.58 1xxs h ILE 104 N 0.67 1.21 -0.77 0.00 2.04 -1.30 -1.44 117.51 117.92 1xxs h ILE 104 Ca 0.14 -0.69 0.01 0.00 1.00 0.00 0.00 64.86 65.33 1xxs h ILE 104 Cb 0.42 0.86 -0.04 0.00 -0.74 0.00 0.00 36.82 37.32 1xxs h ILE 104 CO 0.01 0.25 0.51 0.00 0.00 0.00 0.00 178.15 178.92 1xxs h LEU 106 N 1.03 0.98 -0.83 0.00 3.38 -0.67 -2.42 115.31 116.77 1xxs h LEU 106 Ca 0.29 -0.29 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 1xxs h LEU 106 Cb -0.10 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.36 1xxs h LEU 106 CO -0.07 1.06 0.16 -0.09 0.09 0.00 0.00 178.44 179.59 1xxs h ARG 107 N 0.90 1.03 0.00 1.13 2.43 -0.59 -2.25 114.38 117.04 1xxs h ARG 107 Ca 0.15 -0.23 0.00 0.00 -0.81 0.00 0.00 59.98 59.09 1xxs h ARG 107 Cb 0.59 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.99 1xxs h ARG 107 CO 0.04 0.91 0.00 0.93 -1.51 0.00 0.00 179.97 180.34 1xxs h GLU 108 N 0.99 0.00 -0.11 0.20 5.08 -0.59 -2.26 114.58 117.89 1xxs h GLU 108 Ca 0.21 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 1xxs h GLU 108 Cb 0.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.59 1xxs h GLU 108 CO -0.00 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 178.10 1xxs n ASN 109 N -3.03 2.38 0.26 1.42 3.02 -1.00 -4.48 115.26 113.84 1xxs n ASN 109 Ca -0.00 -2.15 0.16 0.00 -0.03 0.00 0.00 54.58 52.55 1xxs n ASN 109 Cb 0.23 -0.13 0.87 0.00 -0.61 0.00 0.00 39.78 40.15 1xxs n ASN 109 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1xxs h LEU 110 N 0.65 0.00 -2.03 3.41 3.38 -0.81 -2.08 115.31 117.84 1xxs h LEU 110 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1xxs h LEU 110 Cb 0.66 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.40 1xxs h LEU 110 CO 0.01 0.00 -0.06 -2.24 0.09 0.00 0.00 178.44 176.24 1xxs h ASP 111 N 0.00 0.00 -0.12 -0.43 2.03 -1.80 -1.36 116.42 114.73 1xxs h ASP 111 Ca 0.03 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.33 1xxs h ASP 111 Cb 0.19 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.69 1xxs h ASP 111 CO -0.00 0.06 0.00 0.35 -1.03 0.00 0.00 179.24 178.62 1xxs n THR 112 N -3.34 1.12 -1.68 1.15 -2.24 -0.80 -5.04 114.28 103.44 1xxs n THR 112 Ca -0.01 -1.12 -0.45 0.00 -2.27 0.00 0.00 64.05 60.20 1xxs n THR 112 Cb 0.22 0.42 -0.03 0.00 -2.10 0.00 0.00 70.33 68.84 1xxs n THR 112 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xxs n TYR 113 N -0.24 2.32 -4.04 4.78 4.19 -0.52 -4.92 117.16 118.75 1xxs n TYR 113 Ca 0.06 0.33 -0.33 0.00 3.31 0.00 0.00 57.90 61.28 1xxs n TYR 113 Cb 0.36 -2.52 -0.15 0.00 0.49 0.00 0.00 39.34 37.53 1xxs n TYR 113 CO 0.00 0.00 0.00 1.21 0.91 0.00 0.00 176.86 178.98 1xxs s ASN 114 N 0.57 4.53 0.57 2.98 3.04 -1.26 -4.94 114.94 120.43 1xxs s ASN 114 Ca 0.71 -1.38 0.29 0.00 0.04 0.00 0.00 52.86 52.52 1xxs s ASN 114 Cb -0.63 -1.58 1.48 0.00 -1.54 0.00 0.00 41.25 38.98 1xxs s ASN 114 CO 0.45 -0.20 1.93 0.11 -3.04 0.00 0.00 177.10 176.34 1xxs h LYS 115 N 7.81 0.00 -0.87 0.43 1.57 -1.99 0.37 116.57 123.90 1xxs h LYS 115 Ca -0.19 0.00 0.09 0.00 -1.87 0.00 0.00 60.65 58.68 1xxs h LYS 115 Cb 1.04 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 33.28 1xxs h LYS 115 CO 0.47 0.00 0.52 -0.22 -0.57 0.00 0.00 179.45 179.65 1xxs h LYS 116 N 0.00 0.85 -0.05 3.15 3.64 -2.01 -1.67 116.57 120.48 1xxs h LYS 116 Ca 0.24 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.57 1xxs h LYS 116 Cb 1.16 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.79 1xxs h LYS 116 CO -0.00 0.56 0.00 0.66 -2.27 0.00 0.00 179.45 178.40 1xxs n TYR 117 N -4.69 0.06 0.02 1.91 4.01 0.13 -4.49 117.16 114.12 1xxs n TYR 117 Ca 0.14 -0.03 -0.12 0.00 -0.16 0.00 0.00 57.90 57.74 1xxs n TYR 117 Cb 0.27 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.23 1xxs n TYR 117 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 1xxs h ARG 118 N 1.38 0.04 -3.02 -0.72 2.43 -1.36 -1.75 114.38 111.38 1xxs h ARG 118 Ca 0.00 -0.00 -0.73 0.00 -0.81 0.00 0.00 59.98 58.44 1xxs h ARG 118 Cb 0.30 -0.01 -0.33 0.00 -0.42 0.00 0.00 29.97 29.51 1xxs h ARG 118 CO 0.00 0.05 0.16 0.66 -1.51 0.00 0.00 179.97 179.33 1xxs n TYR 119 N -5.06 3.69 -2.75 2.20 4.01 -1.26 -2.92 117.16 115.08 1xxs n TYR 119 Ca -0.07 -3.64 -0.43 0.00 -0.16 0.00 0.00 57.90 53.60 1xxs n TYR 119 Cb 0.04 -1.15 -0.00 0.00 -0.31 0.00 0.00 39.34 37.92 1xxs n TYR 119 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 1xxs s ASN 120 N -0.87 6.91 0.27 7.72 2.47 0.11 -4.71 114.94 126.85 1xxs s ASN 120 Ca 0.31 -2.61 0.24 0.00 0.42 0.00 0.00 52.86 51.22 1xxs s ASN 120 Cb 0.00 -2.49 1.01 0.00 -1.45 0.00 0.00 41.25 38.32 1xxs s ASN 120 CO -0.03 -1.00 1.72 -1.22 -3.72 0.00 0.00 177.10 172.85 1xxs n TYR 121 N 7.17 0.85 0.35 0.43 4.02 -1.26 -2.44 117.16 126.27 1xxs n TYR 121 Ca 0.42 0.34 -0.01 0.00 -0.01 0.00 0.00 57.90 58.63 1xxs n TYR 121 Cb 0.45 -1.05 0.10 0.00 -0.02 0.00 0.00 39.34 38.83 1xxs n TYR 121 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 1xxs n LEU 122 N -2.28 3.15 -0.33 7.72 4.77 -1.26 -4.51 117.00 124.26 1xxs n LEU 122 Ca 0.02 -1.61 0.08 0.00 -0.03 0.00 0.00 56.01 54.47 1xxs n LEU 122 Cb 0.22 -0.58 0.28 0.00 -2.33 0.00 0.00 43.42 41.02 1xxs n LEU 122 CO 0.20 0.48 1.23 0.11 -1.33 0.00 0.00 177.39 178.08 1xxs h LYS 123 N 0.93 0.88 -0.40 3.23 1.57 -1.79 0.35 116.57 121.34 1xxs h LYS 123 Ca 0.08 -0.05 0.11 0.00 -1.87 0.00 0.00 60.65 58.92 1xxs h LYS 123 Cb 1.21 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 33.31 1xxs h LYS 123 CO 0.23 0.58 0.35 -1.35 -0.57 0.00 0.00 179.45 178.69 1xxs h PRO 125 N 0.90 0.00 -0.22 3.15 0.11 -1.90 -0.60 132.00 133.45 1xxs h PRO 125 Ca 0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.59 1xxs h PRO 125 Cb 0.55 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.66 1xxs h PRO 125 CO -0.24 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 177.55 1xxs n ALA 126 N -2.47 2.49 -1.68 -0.75 0.00 0.11 -4.93 120.51 113.28 1xxs n ALA 126 Ca 0.07 -0.50 -0.35 0.00 0.00 0.00 0.00 53.44 52.66 1xxs n ALA 126 Cb 0.53 -1.05 0.02 0.00 0.00 0.00 0.00 19.45 18.96 1xxs n ALA 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xxs s LYS 128 N -3.53 4.17 0.51 0.00 2.20 -1.26 -4.85 119.74 116.98 1xxs s LYS 128 Ca 0.72 2.49 -0.22 0.00 -0.36 0.00 0.00 55.97 58.60 1xxs s LYS 128 Cb -0.24 -3.05 -0.07 0.00 -1.51 0.00 0.00 37.83 32.95 1xxs s LYS 128 CO 0.33 -0.56 1.16 1.63 -0.36 0.00 0.00 175.35 177.54 1xxs n LYS 129 N 2.26 1.44 -3.52 4.03 5.02 -1.26 0.57 118.16 126.70 1xxs n LYS 129 Ca 0.08 0.53 -0.33 0.00 -2.02 0.00 0.00 58.31 56.57 1xxs n LYS 129 Cb 0.38 -2.31 -0.05 0.00 -0.02 0.00 0.00 35.03 33.03 1xxs n LYS 129 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1xxs s ALA 130 N -1.33 3.67 0.71 7.82 0.00 -1.26 -4.15 121.76 127.21 1xxs s ALA 130 Ca 0.69 -0.36 -0.16 0.00 0.00 0.00 0.00 51.96 52.13 1xxs s ALA 130 Cb -0.46 -2.32 -0.00 0.00 0.00 0.00 0.00 23.12 20.34 1xxs s ALA 130 CO 0.52 0.56 0.95 -0.25 0.00 0.00 0.00 175.76 177.54 1xxs n ASP 131 N 0.30 0.44 -4.68 0.00 8.00 -1.26 -4.94 116.55 114.41 1xxs n ASP 131 Ca -0.03 0.68 -0.35 0.00 0.71 0.00 0.00 54.79 55.80 1xxs n ASP 131 Cb 0.52 -1.40 0.11 0.00 -0.02 0.00 0.00 41.12 40.33 1xxs n ASP 131 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 1xxs n PRO 132 N -1.73 0.45 0.00 -0.24 -0.04 -1.26 -5.08 135.00 127.11 1xxs n PRO 132 Ca 0.13 0.22 0.11 0.00 -0.04 0.00 0.00 63.50 63.92 1xxs n PRO 132 Cb 0.49 -2.40 0.64 0.00 -0.04 0.00 0.00 33.50 32.19 1xxs n PRO 132 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46