#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sxl s SER 2 N 0.00 6.10 0.40 7.83 0.15 -1.26 -4.90 113.70 122.03 1sxl s SER 2 Ca 0.00 -2.20 0.13 0.00 0.70 0.00 0.00 55.95 54.58 1sxl s SER 2 Cb 0.00 -2.11 0.84 0.00 -1.71 0.00 0.00 66.02 63.04 1sxl s SER 2 CO 0.00 -0.68 1.90 1.88 1.20 0.00 0.00 173.24 177.54 1sxl h TYR 3 N 8.24 0.01 -1.91 3.44 -1.99 -2.04 -3.42 116.97 119.31 1sxl h TYR 3 Ca -0.13 -0.00 0.07 0.00 2.00 0.00 0.00 58.73 60.67 1sxl h TYR 3 Cb 1.06 -0.00 -0.21 0.00 2.00 0.00 0.00 36.73 39.58 1sxl h TYR 3 CO 0.79 0.29 -0.17 0.00 -0.00 0.00 0.00 178.16 179.07 1sxl s ALA 4 N -4.41 -2.01 0.44 3.88 0.00 -1.26 -5.14 121.76 113.27 1sxl s ALA 4 Ca -0.03 2.21 -0.25 0.00 0.00 0.00 0.00 51.96 53.89 1sxl s ALA 4 Cb 0.15 -1.80 -0.09 0.00 0.00 0.00 0.00 23.12 21.38 1sxl s ALA 4 CO 0.71 -0.97 1.36 2.89 0.00 0.00 0.00 175.76 179.75 1sxl n ARG 5 N 5.44 2.10 -1.48 0.00 1.85 -1.26 -4.79 116.66 118.51 1sxl n ARG 5 Ca -0.10 0.75 -0.54 0.00 -1.00 0.00 0.00 57.85 56.95 1sxl n ARG 5 Cb 0.49 -2.52 -0.06 0.00 -1.05 0.00 0.00 32.46 29.32 1sxl n ARG 5 CO 0.00 0.00 0.00 -0.35 -0.01 0.00 0.00 177.63 177.27 1sxl n PRO 6 N -0.12 0.18 0.00 2.89 -0.04 -1.26 -4.81 135.00 131.84 1sxl n PRO 6 Ca 0.06 0.06 0.00 0.00 -0.04 0.00 0.00 63.50 63.58 1sxl n PRO 6 Cb 0.41 -1.41 0.00 0.00 -0.04 0.00 0.00 33.50 32.46 1sxl n PRO 6 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1sxl n GLY 7 N 1.75 0.81 0.00 0.55 0.00 -1.26 -4.98 105.19 102.06 1sxl n GLY 7 Ca 0.19 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.36 1sxl n GLY 7 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sxl n GLY 8 N 0.00 -0.78 3.68 -0.02 0.00 -1.26 -5.11 105.19 101.70 1sxl n GLY 8 Ca 0.00 -0.79 -0.42 0.00 0.00 0.00 0.00 46.02 44.81 1sxl n GLY 8 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1sxl s GLU 9 N -0.52 4.19 0.00 1.61 0.41 -1.26 -4.87 118.70 118.27 1sxl s GLU 9 Ca 0.00 2.30 0.00 0.00 -0.41 0.00 0.00 54.97 56.86 1sxl s GLU 9 Cb 0.00 -3.74 0.00 0.00 -1.78 0.00 0.00 34.13 28.61 1sxl s GLU 9 CO 0.00 -0.77 0.00 0.45 -0.49 0.00 0.00 175.26 174.45 1sxl n SER 10 N 6.14 0.00 -3.37 -0.19 2.88 -1.26 -4.62 113.62 113.20 1sxl n SER 10 Ca 0.16 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.40 1sxl n SER 10 Cb 0.41 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 63.90 1sxl n SER 10 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1sxl n ILE 11 N 0.00 0.00 -0.09 2.46 3.06 -0.81 -4.47 119.36 119.50 1sxl n ILE 11 Ca 0.00 -0.42 0.08 0.00 -2.50 0.00 0.00 62.75 59.91 1sxl n ILE 11 Cb 0.00 0.00 0.15 0.00 0.54 0.00 0.00 39.64 40.33 1sxl n ILE 11 CO 0.00 0.00 0.00 1.17 -2.50 0.00 0.00 176.55 175.22 1sxl n LYS 12 N 1.96 -0.02 0.03 9.51 4.81 -1.26 -3.73 118.16 129.46 1sxl n LYS 12 Ca -0.00 0.41 0.00 0.00 -0.87 0.00 0.00 58.31 57.84 1sxl n LYS 12 Cb 0.46 -0.71 0.00 0.00 0.02 0.00 0.00 35.03 34.80 1sxl n LYS 12 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1sxl n ASP 13 N -3.78 0.11 -3.15 3.14 -0.08 -1.26 -4.97 116.55 106.55 1sxl n ASP 13 Ca 0.10 0.10 0.04 0.00 -1.51 0.00 0.00 54.79 53.52 1sxl n ASP 13 Cb 0.33 0.03 -0.00 0.00 2.34 0.00 0.00 41.12 43.82 1sxl n ASP 13 CO 0.00 0.00 0.00 0.42 0.12 0.00 0.00 177.20 177.74 1sxl s THR 14 N -1.28 -0.92 0.00 5.18 -4.23 -1.00 -4.64 115.64 108.74 1sxl s THR 14 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.51 1sxl s THR 14 Cb 0.00 -0.94 0.00 0.00 1.34 0.00 0.00 72.50 72.90 1sxl s THR 14 CO 0.00 0.00 0.00 -0.46 -0.54 0.00 0.00 174.62 173.62 1sxl n ASN 15 N 5.40 0.00 -3.60 3.99 0.23 -0.91 -3.79 115.26 116.57 1sxl n ASN 15 Ca 0.04 -0.39 -0.01 0.00 -0.53 0.00 0.00 54.58 53.69 1sxl n ASN 15 Cb 0.54 0.00 -0.04 0.00 -2.08 0.00 0.00 39.78 38.20 1sxl n ASN 15 CO 0.00 0.00 0.00 -1.48 -0.93 0.00 0.00 177.26 174.85 1sxl s LEU 16 N 0.00 -1.15 0.04 -4.53 2.34 -1.00 -3.85 118.68 110.53 1sxl s LEU 16 Ca 0.00 1.50 -0.30 0.00 0.06 0.00 0.00 54.13 55.39 1sxl s LEU 16 Cb 0.00 2.28 -0.04 0.00 -0.56 0.00 0.00 46.19 47.87 1sxl s LEU 16 CO 0.00 -0.22 1.00 -0.31 -1.06 0.00 0.00 176.35 175.76 1sxl s TYR 17 N 2.88 3.68 0.10 3.48 2.02 -0.79 -1.63 117.35 127.10 1sxl s TYR 17 Ca -0.04 1.69 0.09 0.00 -0.37 0.00 0.00 57.07 58.44 1sxl s TYR 17 Cb -0.12 -3.13 -0.03 0.00 -0.40 0.00 0.00 41.96 38.27 1sxl s TYR 17 CO -0.19 -0.07 -0.22 0.14 -1.57 0.00 0.00 175.55 173.64 1sxl s VAL 18 N 0.69 1.80 0.00 0.71 -7.23 -0.82 -3.29 120.40 112.27 1sxl s VAL 18 Ca 0.51 -1.55 0.00 0.00 -1.81 0.00 0.00 61.98 59.13 1sxl s VAL 18 Cb -0.23 -1.63 0.00 0.00 0.56 0.00 0.00 36.38 35.09 1sxl s VAL 18 CO 0.29 -0.01 0.00 0.41 -0.31 0.00 0.00 175.10 175.48 1sxl n THR 19 N 1.12 0.00 -2.90 5.32 -1.04 -1.08 -0.45 114.28 115.24 1sxl n THR 19 Ca -0.19 0.00 -0.20 0.00 -2.04 0.00 0.00 64.05 61.62 1sxl n THR 19 Cb 0.53 0.00 0.03 0.00 -1.82 0.00 0.00 70.33 69.07 1sxl n THR 19 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 1sxl n ASN 20 N 0.00 -5.72 -3.61 8.00 5.15 -1.26 -1.33 115.26 116.49 1sxl n ASN 20 Ca 0.00 -0.24 -0.01 0.00 -0.60 0.00 0.00 54.58 53.72 1sxl n ASN 20 Cb 0.00 -4.57 -0.06 0.00 -0.53 0.00 0.00 39.78 34.62 1sxl n ASN 20 CO 0.00 0.00 0.00 -1.48 1.40 0.00 0.00 177.26 177.18 1sxl s LEU 21 N -6.06 -0.46 -1.00 1.20 0.05 -1.21 -1.93 118.68 109.26 1sxl s LEU 21 Ca 0.25 0.73 -0.02 0.00 0.05 0.00 0.00 54.13 55.14 1sxl s LEU 21 Cb -0.11 1.66 0.31 0.00 -2.05 0.00 0.00 46.19 45.99 1sxl s LEU 21 CO 0.31 -0.11 1.48 -0.81 -0.55 0.00 0.00 176.35 176.67 1sxl n PRO 22 N 3.80 4.50 -3.18 1.48 -0.04 -1.26 -4.19 135.00 136.11 1sxl n PRO 22 Ca -0.17 -4.61 -0.14 0.00 -0.04 0.00 0.00 63.50 58.53 1sxl n PRO 22 Cb 0.57 -2.46 0.07 0.00 -0.04 0.00 0.00 33.50 31.64 1sxl n PRO 22 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1sxl n ARG 23 N 0.84 -4.11 0.00 0.54 1.74 -1.26 -4.87 116.66 109.54 1sxl n ARG 23 Ca 0.32 0.77 0.16 0.00 -0.77 0.00 0.00 57.85 58.32 1sxl n ARG 23 Cb 0.32 -5.45 0.90 0.00 -1.02 0.00 0.00 32.46 27.21 1sxl n ARG 23 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1sxl n THR 24 N -3.45 0.00 -2.45 0.55 -2.24 -1.26 -4.87 114.28 100.56 1sxl n THR 24 Ca -0.17 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 1sxl n THR 24 Cb 0.63 -0.51 0.00 0.00 -2.10 0.00 0.00 70.33 68.36 1sxl n THR 24 CO 0.00 0.00 0.00 2.30 -0.57 0.00 0.00 175.07 176.80 1sxl n ILE 25 N -1.05 0.00 -4.36 2.28 -0.00 -1.26 -5.17 119.36 109.79 1sxl n ILE 25 Ca 0.22 0.00 -0.26 0.00 -0.00 0.00 0.00 62.75 62.71 1sxl n ILE 25 Cb 0.13 0.00 -0.12 0.00 -0.00 0.00 0.00 39.64 39.65 1sxl n ILE 25 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.55 176.97 1sxl s THR 26 N -2.15 2.06 0.00 7.28 -4.23 -1.26 -5.03 115.64 112.32 1sxl s THR 26 Ca 0.00 -1.77 0.00 0.00 -1.18 0.00 0.00 61.69 58.74 1sxl s THR 26 Cb 0.00 -1.88 0.00 0.00 1.34 0.00 0.00 72.50 71.96 1sxl s THR 26 CO 0.00 -0.05 0.84 0.47 -0.54 0.00 0.00 174.62 175.34 1sxl n ASP 27 N 0.75 0.00 -0.26 3.99 8.00 -1.26 -0.29 116.55 127.47 1sxl n ASP 27 Ca -0.17 0.84 0.32 0.00 0.71 0.00 0.00 54.79 56.49 1sxl n ASP 27 Cb 0.54 -0.34 0.57 0.00 -0.02 0.00 0.00 41.12 41.87 1sxl n ASP 27 CO 0.00 0.00 0.00 -2.24 -0.39 0.00 0.00 177.20 174.57 1sxl h ASP 28 N 0.00 0.00 0.65 -2.24 3.04 -1.98 0.75 116.42 116.64 1sxl h ASP 28 Ca 0.00 0.00 -0.03 0.00 -3.24 0.00 0.00 57.03 53.76 1sxl h ASP 28 Cb 0.00 0.00 0.01 0.00 -1.04 0.00 0.00 39.33 38.30 1sxl h ASP 28 CO 0.00 0.00 -0.31 -0.61 -2.04 0.00 0.00 179.24 176.28 1sxl h GLN 29 N 0.00 -0.84 -0.88 4.15 4.15 -1.05 -2.66 115.11 117.97 1sxl h GLN 29 Ca 0.53 0.06 0.24 0.00 0.77 0.00 0.00 58.65 60.25 1sxl h GLN 29 Cb 2.79 0.19 -0.14 0.00 0.21 0.00 0.00 27.48 30.53 1sxl h GLN 29 CO -0.01 -0.52 0.24 -0.07 -1.93 0.00 0.00 178.83 176.54 1sxl h LEU 30 N -1.05 -0.00 -0.94 -2.39 4.07 -0.46 0.49 115.31 115.02 1sxl h LEU 30 Ca -0.09 0.20 0.02 0.00 0.08 0.00 0.00 57.88 58.09 1sxl h LEU 30 Cb 0.71 0.27 -0.05 0.00 1.08 0.00 0.00 40.66 42.67 1sxl h LEU 30 CO 0.15 -0.16 0.62 -0.78 -1.08 0.00 0.00 178.44 177.19 1sxl h ASP 31 N 0.20 1.06 0.98 -0.43 3.58 -1.53 -1.00 116.42 119.28 1sxl h ASP 31 Ca 0.56 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.99 1sxl h ASP 31 Cb 1.13 -0.26 0.00 0.00 1.72 0.00 0.00 39.33 41.93 1sxl h ASP 31 CO -0.66 0.75 0.00 0.41 -2.88 0.00 0.00 179.24 176.86 1sxl n THR 32 N -4.45 0.30 -0.01 2.25 -1.04 0.16 -0.60 114.28 110.88 1sxl n THR 32 Ca 0.11 0.01 -0.20 0.00 -2.04 0.00 0.00 64.05 61.93 1sxl n THR 32 Cb 0.04 -0.63 -0.14 0.00 -1.82 0.00 0.00 70.33 67.79 1sxl n THR 32 CO 0.00 0.00 0.00 -0.29 -0.64 0.00 0.00 175.07 174.14 1sxl h ILE 33 N 0.00 1.27 0.00 12.58 -0.00 0.26 -3.42 117.51 128.21 1sxl h ILE 33 Ca 0.00 -2.39 -0.36 0.00 -0.00 0.00 0.00 64.86 62.10 1sxl h ILE 33 Cb 0.49 2.89 -0.06 0.00 -0.00 0.00 0.00 36.82 40.14 1sxl h ILE 33 CO 0.00 0.63 -2.27 2.22 -0.00 0.00 0.00 178.15 178.74 1sxl n PHE 34 N -4.17 0.00 -2.83 2.19 1.16 -1.03 -4.96 117.46 107.82 1sxl n PHE 34 Ca -0.21 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.37 1sxl n PHE 34 Cb 0.77 -0.83 0.00 0.00 -1.61 0.00 0.00 39.48 37.81 1sxl n PHE 34 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 1sxl n GLY 35 N 1.93 0.00 0.00 4.97 0.00 0.23 -4.59 105.19 107.72 1sxl n GLY 35 Ca -0.43 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.59 1sxl n GLY 35 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1sxl n LYS 36 N -0.70 1.73 0.00 1.61 4.81 -1.26 -5.05 118.16 119.30 1sxl n LYS 36 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1sxl n LYS 36 Cb 0.00 -0.67 0.00 0.00 0.02 0.00 0.00 35.03 34.38 1sxl n LYS 36 CO 0.00 0.00 0.00 2.48 1.17 0.00 0.00 177.40 181.05 1sxl n TYR 37 N -0.92 0.00 -2.54 5.64 4.11 -1.26 -5.06 117.16 117.12 1sxl n TYR 37 Ca 0.00 0.00 -0.33 0.00 -0.00 0.00 0.00 57.90 57.57 1sxl n TYR 37 Cb 0.14 0.00 -0.04 0.00 -0.00 0.00 0.00 39.34 39.44 1sxl n TYR 37 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.86 177.06 1sxl s GLY 38 N 0.00 2.22 -0.27 -7.48 0.00 -1.26 -4.92 107.32 95.61 1sxl s GLY 38 Ca 0.00 0.31 -0.03 0.00 0.00 0.00 0.00 44.72 45.00 1sxl s GLY 38 CO 0.00 0.59 2.57 -1.26 0.00 0.00 0.00 173.10 175.00 1sxl n SER 39 N -1.21 6.12 -1.98 1.64 2.88 -1.26 -4.85 113.62 114.95 1sxl n SER 39 Ca 0.07 -2.93 0.00 0.00 -1.33 0.00 0.00 58.87 54.68 1sxl n SER 39 Cb 0.54 -1.19 0.00 0.00 -0.75 0.00 0.00 64.21 62.81 1sxl n SER 39 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 1sxl n ILE 40 N 1.06 0.00 1.76 2.46 -0.00 -1.26 -4.71 119.36 118.67 1sxl n ILE 40 Ca 0.35 0.00 0.04 0.00 -0.00 0.00 0.00 62.75 63.14 1sxl n ILE 40 Cb 0.62 -1.46 0.21 0.00 -0.00 0.00 0.00 39.64 39.01 1sxl n ILE 40 CO 0.00 0.00 0.00 1.33 -0.00 0.00 0.00 176.55 177.88 1sxl n VAL 41 N 1.98 0.00 0.00 7.28 0.24 -1.07 -4.47 118.33 122.29 1sxl n VAL 41 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1sxl n VAL 41 Cb 0.00 -0.19 0.00 0.00 -1.47 0.00 0.00 33.84 32.18 1sxl n VAL 41 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1sxl n GLN 42 N -0.63 0.00 -2.77 7.34 6.02 -1.26 -4.97 117.38 121.11 1sxl n GLN 42 Ca 0.05 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.62 1sxl n GLN 42 Cb 0.02 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.25 1sxl n GLN 42 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 1sxl s LYS 43 N 0.00 4.08 0.25 -1.09 -2.85 -1.26 -4.07 119.74 114.80 1sxl s LYS 43 Ca 0.00 0.95 -0.16 0.00 -1.00 0.00 0.00 55.97 55.76 1sxl s LYS 43 Cb 0.00 -3.71 0.01 0.00 -2.06 0.00 0.00 37.83 32.07 1sxl s LYS 43 CO 0.00 -0.74 0.56 0.54 0.10 0.00 0.00 175.35 175.81 1sxl s ASN 44 N 1.52 -0.16 0.43 0.03 2.20 -1.05 -4.77 114.94 113.15 1sxl s ASN 44 Ca 0.40 -0.79 0.07 0.00 -0.94 0.00 0.00 52.86 51.59 1sxl s ASN 44 Cb -0.14 0.63 -0.05 0.00 -2.00 0.00 0.00 41.25 39.70 1sxl s ASN 44 CO 0.12 -1.20 0.17 -0.63 -2.94 0.00 0.00 177.10 172.62 1sxl s ILE 45 N -3.98 2.18 -0.19 0.54 1.01 -1.26 -1.72 121.20 117.79 1sxl s ILE 45 Ca 0.18 -1.72 -0.00 0.00 0.00 0.00 0.00 60.65 59.10 1sxl s ILE 45 Cb -0.02 -2.90 0.05 0.00 0.01 0.00 0.00 42.46 39.59 1sxl s ILE 45 CO 0.07 0.00 -0.04 -0.76 0.00 0.00 0.00 174.94 174.21 1sxl s LEU 46 N -3.91 1.80 0.00 2.97 1.43 0.16 -4.89 118.68 116.23 1sxl s LEU 46 Ca 0.38 -0.81 0.00 0.00 -1.03 0.00 0.00 54.13 52.68 1sxl s LEU 46 Cb 0.04 -0.95 0.00 0.00 0.03 0.00 0.00 46.19 45.31 1sxl s LEU 46 CO 0.21 -0.21 0.00 -2.11 0.23 0.00 0.00 176.35 174.47 1sxl n ARG 47 N 4.84 1.28 -2.46 1.70 1.85 -1.26 -2.48 116.66 120.14 1sxl n ARG 47 Ca -0.12 0.00 -0.05 0.00 -1.00 0.00 0.00 57.85 56.68 1sxl n ARG 47 Cb 0.47 0.00 -0.01 0.00 -1.05 0.00 0.00 32.46 31.87 1sxl n ARG 47 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 1sxl n ASP 48 N -0.15 1.74 0.00 2.89 9.92 -1.26 -4.99 116.55 124.71 1sxl n ASP 48 Ca 0.00 -1.39 0.00 0.00 -0.53 0.00 0.00 54.79 52.87 1sxl n ASP 48 Cb 0.00 0.11 0.00 0.00 -0.64 0.00 0.00 41.12 40.59 1sxl n ASP 48 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1sxl n LYS 49 N -0.20 0.00 0.00 -1.24 4.76 -1.26 -4.88 118.16 115.34 1sxl n LYS 49 Ca -0.03 0.46 0.00 0.00 -2.87 0.00 0.00 58.31 55.88 1sxl n LYS 49 Cb 0.11 -1.15 0.00 0.00 -1.84 0.00 0.00 35.03 32.15 1sxl n LYS 49 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 1sxl n LEU 50 N -1.37 0.00 -1.91 -0.35 -0.00 -1.26 -4.93 117.00 107.18 1sxl n LEU 50 Ca 0.00 0.00 -0.21 0.00 -0.00 0.00 0.00 56.01 55.80 1sxl n LEU 50 Cb 0.00 0.00 0.15 0.00 -0.00 0.00 0.00 43.42 43.57 1sxl n LEU 50 CO 0.00 -0.07 1.04 0.35 -0.00 0.00 0.00 177.39 178.70 1sxl n THR 51 N -1.21 3.05 -3.12 1.96 -2.24 -1.26 -4.66 114.28 106.78 1sxl n THR 51 Ca 0.00 -2.65 -0.25 0.00 -2.27 0.00 0.00 64.05 58.88 1sxl n THR 51 Cb 0.00 -0.65 -0.05 0.00 -2.10 0.00 0.00 70.33 67.53 1sxl n THR 51 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sxl n GLY 52 N -1.05 4.74 3.07 3.38 0.00 -1.26 -5.03 105.19 109.04 1sxl n GLY 52 Ca 0.51 -2.43 -0.32 0.00 0.00 0.00 0.00 46.02 43.78 1sxl n GLY 52 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1sxl s ARG 53 N -2.81 2.53 -0.31 1.61 1.70 -1.26 -4.51 118.95 115.91 1sxl s ARG 53 Ca 0.44 -0.95 0.08 0.00 -0.47 0.00 0.00 55.73 54.83 1sxl s ARG 53 Cb 0.26 -2.58 0.48 0.00 -0.57 0.00 0.00 34.95 32.54 1sxl s ARG 53 CO -0.10 -0.35 1.42 -0.35 -1.08 0.00 0.00 175.30 174.85 1sxl n PRO 54 N 4.60 2.15 0.17 3.89 -0.04 -1.26 -4.79 135.00 139.72 1sxl n PRO 54 Ca -0.17 -3.39 0.00 0.00 -0.04 0.00 0.00 63.50 59.90 1sxl n PRO 54 Cb 0.47 -1.90 0.00 0.00 -0.04 0.00 0.00 33.50 32.03 1sxl n PRO 54 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1sxl n ARG 55 N -1.05 0.00 -2.70 0.54 0.63 -1.26 -5.12 116.66 107.71 1sxl n ARG 55 Ca 0.35 0.00 -0.03 0.00 -0.92 0.00 0.00 57.85 57.25 1sxl n ARG 55 Cb 0.95 0.00 -0.02 0.00 0.45 0.00 0.00 32.46 33.84 1sxl n ARG 55 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1sxl n GLY 56 N -0.63 -4.48 2.94 5.14 0.00 -1.26 -5.01 105.19 101.89 1sxl n GLY 56 Ca 0.00 1.12 -0.13 0.00 0.00 0.00 0.00 46.02 47.01 1sxl n GLY 56 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sxl s VAL 57 N -1.07 -0.01 0.72 1.61 0.11 -1.04 -4.61 120.40 116.12 1sxl s VAL 57 Ca -0.15 0.04 -0.03 0.00 -2.93 0.00 0.00 61.98 58.91 1sxl s VAL 57 Cb 0.01 -0.14 0.11 0.00 -1.53 0.00 0.00 36.38 34.83 1sxl s VAL 57 CO 0.73 0.02 1.01 0.00 -3.33 0.00 0.00 175.10 173.53 1sxl s ALA 58 N 0.27 3.45 -0.29 1.54 0.00 0.40 -0.67 121.76 126.47 1sxl s ALA 58 Ca -0.02 -1.47 0.02 0.00 0.00 0.00 0.00 51.96 50.49 1sxl s ALA 58 Cb -0.03 -2.21 0.18 0.00 0.00 0.00 0.00 23.12 21.06 1sxl s ALA 58 CO -0.01 -1.45 0.54 0.12 0.00 0.00 0.00 175.76 174.96 1sxl s PHE 59 N -3.20 -1.53 0.41 0.00 2.19 -0.70 -1.95 117.98 113.21 1sxl s PHE 59 Ca 0.65 1.17 -0.03 0.00 0.33 0.00 0.00 56.93 59.06 1sxl s PHE 59 Cb -0.07 0.31 -0.04 0.00 -1.31 0.00 0.00 43.02 41.91 1sxl s PHE 59 CO 0.45 -0.96 0.67 0.08 1.83 0.00 0.00 175.22 177.29 1sxl s VAL 60 N 2.77 5.00 0.02 3.12 1.01 -0.64 -2.52 120.40 129.14 1sxl s VAL 60 Ca 0.14 -0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.04 1sxl s VAL 60 Cb -0.13 -3.86 -0.02 0.00 0.00 0.00 0.00 36.38 32.38 1sxl s VAL 60 CO -0.24 -0.70 -0.03 -0.13 0.00 0.00 0.00 175.10 174.01 1sxl s ARG 61 N -4.49 0.26 -0.06 2.72 1.81 -1.26 -2.37 118.95 115.56 1sxl s ARG 61 Ca 0.44 -0.47 -0.30 0.00 -1.72 0.00 0.00 55.73 53.69 1sxl s ARG 61 Cb -0.10 0.03 0.07 0.00 -0.45 0.00 0.00 34.95 34.50 1sxl s ARG 61 CO 0.40 -0.02 0.66 0.71 -0.68 0.00 0.00 175.30 176.37 1sxl s TYR 62 N -1.06 -0.64 -0.66 -0.53 2.02 -1.25 -2.59 117.35 112.64 1sxl s TYR 62 Ca -0.11 1.13 0.06 0.00 -0.37 0.00 0.00 57.07 57.77 1sxl s TYR 62 Cb -0.07 0.39 0.24 0.00 -0.40 0.00 0.00 41.96 42.11 1sxl s TYR 62 CO -0.01 -0.58 0.71 0.27 -1.57 0.00 0.00 175.55 174.37 1sxl n ASN 63 N 1.03 3.67 -3.07 2.29 0.23 -1.26 -2.15 115.26 116.01 1sxl n ASN 63 Ca -0.19 -3.41 0.04 0.00 -0.53 0.00 0.00 54.58 50.49 1sxl n ASN 63 Cb 0.57 -0.69 0.00 0.00 -2.08 0.00 0.00 39.78 37.58 1sxl n ASN 63 CO 0.00 0.00 0.00 -0.75 -0.93 0.00 0.00 177.26 175.58 1sxl s LYS 64 N -2.31 0.28 0.17 -3.83 2.20 -1.26 -4.56 119.74 110.44 1sxl s LYS 64 Ca 0.37 0.13 -0.08 0.00 -0.36 0.00 0.00 55.97 56.03 1sxl s LYS 64 Cb 0.11 0.09 0.24 0.00 -1.51 0.00 0.00 37.83 36.76 1sxl s LYS 64 CO -0.04 -0.48 1.04 2.89 -0.36 0.00 0.00 175.35 178.40 1sxl n ARG 65 N 4.78 -0.11 -0.01 4.03 0.00 -1.26 0.22 116.66 124.32 1sxl n ARG 65 Ca 0.08 1.04 -0.10 0.00 -0.00 0.00 0.00 57.85 58.87 1sxl n ARG 65 Cb 0.58 -1.55 -0.04 0.00 -0.00 0.00 0.00 32.46 31.45 1sxl n ARG 65 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.63 179.12 1sxl h GLU 66 N 0.00 -0.01 -0.45 2.89 4.57 -1.96 -2.29 114.58 117.33 1sxl h GLU 66 Ca 0.28 0.00 0.09 0.00 -1.18 0.00 0.00 59.36 58.55 1sxl h GLU 66 Cb 0.45 0.00 -0.08 0.00 -0.16 0.00 0.00 28.75 28.96 1sxl h GLU 66 CO -0.68 -0.00 -0.01 1.49 -1.18 0.00 0.00 179.01 178.62 1sxl h GLU 67 N -0.01 0.09 -0.83 1.92 4.22 0.24 0.35 114.58 120.56 1sxl h GLU 67 Ca 0.07 -0.01 0.20 0.00 0.08 0.00 0.00 59.36 59.70 1sxl h GLU 67 Cb 0.10 -0.02 -0.13 0.00 0.50 0.00 0.00 28.75 29.20 1sxl h GLU 67 CO -0.14 0.06 0.19 0.00 -2.18 0.00 0.00 179.01 176.94 1sxl h ALA 68 N 1.41 1.13 -0.58 2.92 0.00 -0.57 1.06 119.26 124.62 1sxl h ALA 68 Ca 0.22 0.21 0.08 0.00 0.00 0.00 0.00 54.91 55.43 1sxl h ALA 68 Cb 0.33 0.30 -0.07 0.00 0.00 0.00 0.00 17.79 18.36 1sxl h ALA 68 CO -0.39 -0.42 0.23 0.37 0.00 0.00 0.00 179.25 179.05 1sxl h GLN 69 N 0.22 0.41 0.11 0.00 4.15 -0.72 -0.79 115.11 118.49 1sxl h GLN 69 Ca 0.50 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.89 1sxl h GLN 69 Cb 0.94 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 28.52 1sxl h GLN 69 CO -0.61 0.27 -0.22 0.93 -1.93 0.00 0.00 178.83 177.26 1sxl h GLU 70 N 0.42 -0.35 0.00 1.69 3.07 0.15 0.64 114.58 120.20 1sxl h GLU 70 Ca 0.29 0.02 0.00 0.00 -0.50 0.00 0.00 59.36 59.17 1sxl h GLU 70 Cb 0.32 0.08 0.00 0.00 -0.84 0.00 0.00 28.75 28.31 1sxl h GLU 70 CO -0.27 -0.23 0.27 0.00 -1.40 0.00 0.00 179.01 177.38 1sxl h ALA 71 N -1.21 1.20 -0.08 3.43 0.00 -0.92 0.16 119.26 121.84 1sxl h ALA 71 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1sxl h ALA 71 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1sxl h ALA 71 CO -0.09 -0.20 0.00 -0.89 0.00 0.00 0.00 179.25 178.07 1sxl n ILE 72 N -2.20 0.00 0.00 0.00 2.08 0.09 0.73 119.36 120.07 1sxl n ILE 72 Ca -0.01 0.49 0.00 0.00 0.56 0.00 0.00 62.75 63.79 1sxl n ILE 72 Cb 0.30 -1.47 0.00 0.00 -0.75 0.00 0.00 39.64 37.72 1sxl n ILE 72 CO 0.00 0.00 0.00 -0.24 0.56 0.00 0.00 176.55 176.87 1sxl n SER 73 N -2.09 0.00 0.04 4.38 2.88 -0.48 -1.82 113.62 116.52 1sxl n SER 73 Ca 0.00 0.44 0.00 0.00 -1.33 0.00 0.00 58.87 57.98 1sxl n SER 73 Cb 0.00 -0.44 0.00 0.00 -0.75 0.00 0.00 64.21 63.02 1sxl n SER 73 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1sxl n ALA 74 N -1.44 3.00 1.84 -1.46 0.00 0.02 -4.79 120.51 117.69 1sxl n ALA 74 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.51 1sxl n ALA 74 Cb 0.03 0.22 0.38 0.00 0.00 0.00 0.00 19.45 20.07 1sxl n ALA 74 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1sxl n LEU 75 N -3.04 0.31 -1.12 0.00 7.94 0.14 -3.54 117.00 117.69 1sxl n LEU 75 Ca 0.00 -0.14 -0.00 0.00 -1.11 0.00 0.00 56.01 54.76 1sxl n LEU 75 Cb 0.17 -0.03 0.13 0.00 0.53 0.00 0.00 43.42 44.23 1sxl n LEU 75 CO 0.00 0.07 0.55 -0.46 -1.11 0.00 0.00 177.39 176.44 1sxl n ASN 76 N -0.51 2.88 0.00 1.96 2.04 0.22 -4.28 115.26 117.57 1sxl n ASN 76 Ca 0.11 -2.40 0.00 0.00 -0.44 0.00 0.00 54.58 51.85 1sxl n ASN 76 Cb 0.09 -0.58 0.00 0.00 -2.53 0.00 0.00 39.78 36.76 1sxl n ASN 76 CO 0.00 0.00 0.00 -0.46 -0.44 0.00 0.00 177.26 176.36 1sxl n ASN 77 N 0.15 0.00 -3.69 0.53 6.94 -0.99 -4.22 115.26 113.98 1sxl n ASN 77 Ca 0.13 0.00 -0.42 0.00 -0.02 0.00 0.00 54.58 54.27 1sxl n ASN 77 Cb 0.68 0.00 -0.00 0.00 -2.36 0.00 0.00 39.78 38.10 1sxl n ASN 77 CO 0.00 0.00 0.00 0.55 -1.03 0.00 0.00 177.26 176.78 1sxl n VAL 78 N 0.00 3.64 0.00 3.53 3.14 -1.26 -4.66 118.33 122.72 1sxl n VAL 78 Ca 0.00 -3.09 0.00 0.00 -2.96 0.00 0.00 64.34 58.29 1sxl n VAL 78 Cb 0.00 -2.58 0.00 0.00 -1.06 0.00 0.00 33.84 30.20 1sxl n VAL 78 CO 0.00 0.00 0.00 -0.38 -6.46 0.00 0.00 176.83 169.99 1sxl n ILE 79 N 4.75 0.00 -1.47 1.55 5.41 -1.26 -4.79 119.36 123.55 1sxl n ILE 79 Ca 0.54 0.00 -0.58 0.00 1.00 0.00 0.00 62.75 63.71 1sxl n ILE 79 Cb 0.37 0.00 -0.08 0.00 -0.71 0.00 0.00 39.64 39.22 1sxl n ILE 79 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 1sxl n PRO 80 N 0.00 0.00 -0.65 0.38 -0.04 -1.26 -4.79 135.00 128.64 1sxl n PRO 80 Ca 0.00 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.15 1sxl n PRO 80 Cb 0.00 -1.45 0.18 0.00 -0.04 0.00 0.00 33.50 32.19 1sxl n PRO 80 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1sxl n GLU 81 N 1.70 -1.15 0.00 0.54 1.02 -1.26 -4.51 120.64 116.98 1sxl n GLU 81 Ca 0.20 -0.29 0.00 0.00 -0.02 0.00 0.00 57.16 57.05 1sxl n GLU 81 Cb 0.06 -2.08 0.00 0.00 -0.02 0.00 0.00 31.44 29.40 1sxl n GLU 81 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1sxl n GLY 82 N 1.07 3.59 0.00 0.62 0.00 -1.26 -4.86 105.19 104.35 1sxl n GLY 82 Ca 0.06 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.51 1sxl n GLY 82 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sxl n GLY 83 N 0.00 0.00 0.00 -0.02 0.00 -1.26 -5.01 105.19 98.90 1sxl n GLY 83 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.07 1sxl n GLY 83 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1sxl n SER 84 N 0.00 1.37 -2.04 1.61 2.88 -1.26 -5.10 113.62 111.08 1sxl n SER 84 Ca 0.00 -0.43 0.00 0.00 -1.33 0.00 0.00 58.87 57.11 1sxl n SER 84 Cb 0.00 1.20 0.00 0.00 -0.75 0.00 0.00 64.21 64.66 1sxl n SER 84 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1sxl n GLN 85 N -1.50 -5.19 -0.20 -1.46 6.02 -1.26 -4.99 117.38 108.80 1sxl n GLN 85 Ca 0.00 3.73 0.00 0.00 -0.01 0.00 0.00 57.00 60.72 1sxl n GLN 85 Cb 0.21 -4.12 0.00 0.00 1.02 0.00 0.00 30.24 27.35 1sxl n GLN 85 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 1sxl n PRO 86 N 1.78 3.12 -3.31 -1.09 -0.04 -0.81 -4.73 135.00 129.92 1sxl n PRO 86 Ca 0.00 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.05 1sxl n PRO 86 Cb 0.00 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.38 1sxl n PRO 86 CO 0.00 0.00 0.00 -0.48 -0.04 0.00 0.00 175.50 174.98 1sxl s LEU 87 N 0.00 4.33 -0.38 1.53 0.05 -1.25 -3.31 118.68 119.65 1sxl s LEU 87 Ca 0.00 -0.04 -0.29 0.00 0.05 0.00 0.00 54.13 53.85 1sxl s LEU 87 Cb 0.00 -2.50 0.02 0.00 -2.05 0.00 0.00 46.19 41.66 1sxl s LEU 87 CO 0.00 -0.40 1.14 -0.44 -0.55 0.00 0.00 176.35 176.11 1sxl s SER 88 N 1.73 6.76 0.60 1.48 0.01 -0.44 -2.33 113.70 121.51 1sxl s SER 88 Ca 0.16 0.85 -0.08 0.00 1.31 0.00 0.00 55.95 58.18 1sxl s SER 88 Cb -0.16 -2.55 -0.01 0.00 0.21 0.00 0.00 66.02 63.51 1sxl s SER 88 CO 0.12 -1.07 0.96 -0.69 0.41 0.00 0.00 173.24 172.97 1sxl s VAL 89 N 4.12 4.22 0.00 3.43 1.01 -1.26 -2.64 120.40 129.28 1sxl s VAL 89 Ca 0.48 0.41 0.00 0.00 0.00 0.00 0.00 61.98 62.88 1sxl s VAL 89 Cb -0.11 -3.68 0.00 0.00 0.00 0.00 0.00 36.38 32.59 1sxl s VAL 89 CO 0.23 -0.79 0.00 -2.11 0.00 0.00 0.00 175.10 172.43 1sxl n ARG 90 N -2.65 0.00 -1.04 2.72 1.85 -1.21 -4.97 116.66 111.36 1sxl n ARG 90 Ca 0.05 0.00 -0.36 0.00 -1.00 0.00 0.00 57.85 56.54 1sxl n ARG 90 Cb 0.56 0.00 0.06 0.00 -1.05 0.00 0.00 32.46 32.02 1sxl n ARG 90 CO 0.00 0.00 0.00 -0.11 -0.01 0.00 0.00 177.63 177.51 1sxl n LEU 91 N 0.00 -3.55 -4.51 2.89 7.94 -1.25 -1.89 117.00 116.63 1sxl n LEU 91 Ca 0.00 0.34 -0.28 0.00 -1.11 0.00 0.00 56.01 54.96 1sxl n LEU 91 Cb 0.00 -0.93 0.24 0.00 0.53 0.00 0.00 43.42 43.27 1sxl n LEU 91 CO 0.00 -4.96 0.53 0.00 -1.11 0.00 0.00 177.39 171.85 1sxl s ALA 92 N -2.07 -0.28 -0.04 1.96 0.00 -1.26 -4.56 121.76 115.50 1sxl s ALA 92 Ca 0.50 -0.29 -0.01 0.00 0.00 0.00 0.00 51.96 52.15 1sxl s ALA 92 Cb -0.26 -3.18 0.03 0.00 0.00 0.00 0.00 23.12 19.72 1sxl s ALA 92 CO 0.74 -3.76 0.07 -1.21 0.00 0.00 0.00 175.76 171.60 1sxl s GLU 93 N -4.63 -0.02 0.00 0.00 0.41 -1.26 -4.77 118.70 108.43 1sxl s GLU 93 Ca 0.68 0.32 0.00 0.00 -0.41 0.00 0.00 54.97 55.56 1sxl s GLU 93 Cb -0.22 -0.32 0.00 0.00 -1.78 0.00 0.00 34.13 31.80 1sxl s GLU 93 CO 0.63 -0.24 0.00 -1.91 -0.49 0.00 0.00 175.26 173.25 1sxl n GLU 94 N 4.67 -0.62 -1.96 1.61 4.07 -1.26 -4.92 120.64 122.23 1sxl n GLU 94 Ca -0.17 0.15 -0.00 0.00 -0.06 0.00 0.00 57.16 57.08 1sxl n GLU 94 Cb 0.50 -3.78 -0.00 0.00 -0.06 0.00 0.00 31.44 28.10 1sxl n GLU 94 CO 0.00 0.00 0.00 1.58 -0.06 0.00 0.00 177.13 178.65 1sxl n HIS 95 N -2.34 -0.07 -3.64 4.31 -0.00 -1.26 -5.18 115.22 107.04 1sxl n HIS 95 Ca 0.00 -0.03 -0.06 0.00 0.46 0.00 0.00 57.72 58.09 1sxl n HIS 95 Cb 0.15 0.00 -0.07 0.00 -0.12 0.00 0.00 29.99 29.96 1sxl n HIS 95 CO 0.00 0.00 0.00 0.20 0.46 0.00 0.00 176.34 177.00 1sxl s GLY 96 N -1.02 -0.20 0.00 1.57 0.00 -1.26 -4.54 107.32 101.86 1sxl s GLY 96 Ca 0.00 2.77 0.00 0.00 0.00 0.00 0.00 44.72 47.50 1sxl s GLY 96 CO 0.00 2.22 0.41 1.17 0.00 0.00 0.00 173.10 176.91