#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sxl n SER 2 N 0.00 1.74 -2.67 7.83 7.64 -1.26 -4.66 113.62 122.24 1sxl n SER 2 Ca 0.00 -0.37 -0.04 0.00 1.01 0.00 0.00 58.87 59.47 1sxl n SER 2 Cb 0.00 -1.41 0.05 0.00 -1.01 0.00 0.00 64.21 61.84 1sxl n SER 2 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1sxl n TYR 3 N 14.58 -0.83 -3.09 1.43 4.01 -1.26 -5.10 117.16 126.89 1sxl n TYR 3 Ca 0.45 -0.74 -0.02 0.00 -0.16 0.00 0.00 57.90 57.43 1sxl n TYR 3 Cb 0.41 1.12 -0.01 0.00 -0.31 0.00 0.00 39.34 40.55 1sxl n TYR 3 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1sxl s ALA 4 N 0.61 -2.09 0.59 -0.72 0.00 -1.26 -5.12 121.76 113.77 1sxl s ALA 4 Ca 0.25 -0.11 0.00 0.00 0.00 0.00 0.00 51.96 52.10 1sxl s ALA 4 Cb 0.16 -2.66 0.00 0.00 0.00 0.00 0.00 23.12 20.62 1sxl s ALA 4 CO -0.10 -2.22 0.00 0.54 0.00 0.00 0.00 175.76 173.98 1sxl n ARG 5 N 3.93 -3.81 -0.02 0.00 3.00 -1.26 -5.03 116.66 113.47 1sxl n ARG 5 Ca 0.14 3.00 0.00 0.00 -0.01 0.00 0.00 57.85 60.97 1sxl n ARG 5 Cb 0.56 -3.91 0.00 0.00 0.00 0.00 0.00 32.46 29.11 1sxl n ARG 5 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.63 177.28 1sxl n PRO 6 N -3.10 3.80 0.00 5.56 -0.04 -1.26 -5.14 135.00 134.82 1sxl n PRO 6 Ca -0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.43 1sxl n PRO 6 Cb 0.53 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.99 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 4.78 3.20 0.00 0.55 0.00 -1.26 -4.78 105.19 107.69 1sxl n GLY 7 Ca 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.63 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 3.81 -0.50 3.92 -0.02 0.00 -1.20 -4.10 105.19 107.10 1sxl n GLY 8 Ca 0.00 -0.24 -0.02 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.62 1.21 2.12 1.61 0.41 -1.18 -4.83 118.70 117.43 1sxl s GLU 9 Ca 0.00 -0.79 0.00 0.00 -0.41 0.00 0.00 54.97 53.77 1sxl s GLU 9 Cb 0.00 0.33 0.00 0.00 -1.78 0.00 0.00 34.13 32.68 1sxl s GLU 9 CO 0.00 -0.57 0.00 -1.13 -0.49 0.00 0.00 175.26 173.07 1sxl n SER 10 N -1.28 -1.66 -4.50 -0.19 3.41 -1.25 -4.25 113.62 103.90 1sxl n SER 10 Ca -0.01 0.00 -0.32 0.00 -0.26 0.00 0.00 58.87 58.27 1sxl n SER 10 Cb 0.59 0.00 -0.18 0.00 -0.26 0.00 0.00 64.21 64.36 1sxl n SER 10 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1sxl n ILE 11 N -0.26 -0.00 -4.48 -1.33 3.06 -1.26 -4.38 119.36 110.71 1sxl n ILE 11 Ca 0.00 -0.24 0.00 0.00 -2.50 0.00 0.00 62.75 60.01 1sxl n ILE 11 Cb 0.00 -0.40 0.00 0.00 0.54 0.00 0.00 39.64 39.78 1sxl n ILE 11 CO 0.00 0.00 0.00 0.29 -2.50 0.00 0.00 176.55 174.34 1sxl n LYS 12 N 7.30 0.00 -2.88 9.51 4.76 -1.26 -4.70 118.16 130.88 1sxl n LYS 12 Ca 0.66 0.00 -0.03 0.00 -2.87 0.00 0.00 58.31 56.07 1sxl n LYS 12 Cb 0.10 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.29 1sxl n LYS 12 CO 0.00 0.00 0.00 0.16 -1.37 0.00 0.00 177.40 176.19 1sxl s ASP 13 N -4.00 -1.46 -0.41 4.39 -4.77 -1.24 -3.88 116.67 105.30 1sxl s ASP 13 Ca 0.00 -1.46 0.08 0.00 -3.30 0.00 0.00 52.55 47.87 1sxl s ASP 13 Cb 0.00 1.90 0.35 0.00 -1.09 0.00 0.00 42.92 44.09 1sxl s ASP 13 CO 0.00 -0.08 1.29 0.41 0.70 0.00 0.00 175.17 177.49 1sxl n THR 14 N 3.35 0.00 -0.90 2.11 -1.04 -1.13 -3.58 114.28 113.09 1sxl n THR 14 Ca 0.16 -1.43 0.00 0.00 -2.04 0.00 0.00 64.05 60.74 1sxl n THR 14 Cb 0.56 1.09 0.00 0.00 -1.82 0.00 0.00 70.33 70.16 1sxl n THR 14 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1sxl n ASN 15 N -0.36 -0.08 -3.68 8.00 4.13 0.26 -3.80 115.26 119.73 1sxl n ASN 15 Ca -0.03 -0.90 -0.09 0.00 1.68 0.00 0.00 54.58 55.24 1sxl n ASN 15 Cb 0.80 0.00 -0.10 0.00 -1.54 0.00 0.00 39.78 38.95 1sxl n ASN 15 CO 0.00 0.00 0.00 -1.48 0.28 0.00 0.00 177.26 176.06 1sxl s LEU 16 N 0.00 -0.38 -0.07 3.41 2.34 -1.11 -3.63 118.68 119.23 1sxl s LEU 16 Ca 0.00 1.02 -0.30 0.00 0.06 0.00 0.00 54.13 54.91 1sxl s LEU 16 Cb 0.00 1.51 -0.02 0.00 -0.56 0.00 0.00 46.19 47.11 1sxl s LEU 16 CO 0.00 -0.21 1.11 -0.47 -1.06 0.00 0.00 176.35 175.72 1sxl s TYR 17 N 1.80 3.36 -0.16 3.48 6.14 -0.55 -1.31 117.35 130.11 1sxl s TYR 17 Ca -0.07 1.40 0.01 0.00 0.64 0.00 0.00 57.07 59.05 1sxl s TYR 17 Cb -0.09 -3.31 0.01 0.00 0.42 0.00 0.00 41.96 38.99 1sxl s TYR 17 CO -0.14 -0.78 -0.18 0.14 0.64 0.00 0.00 175.55 175.22 1sxl s VAL 18 N 2.06 2.35 0.47 3.14 -7.23 -0.72 -3.47 120.40 117.00 1sxl s VAL 18 Ca 0.52 -0.87 0.02 0.00 -1.81 0.00 0.00 61.98 59.85 1sxl s VAL 18 Cb -0.22 -1.98 -0.02 0.00 0.56 0.00 0.00 36.38 34.73 1sxl s VAL 18 CO 0.20 0.53 0.05 0.28 -0.31 0.00 0.00 175.10 175.85 1sxl s THR 19 N 0.93 0.97 0.00 5.32 -1.32 -1.09 0.24 115.64 120.69 1sxl s THR 19 Ca -0.04 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 58.44 1sxl s THR 19 Cb -0.15 -2.25 0.00 0.00 -1.51 0.00 0.00 72.50 68.60 1sxl s THR 19 CO -0.03 0.00 0.00 -3.20 -2.21 0.00 0.00 174.62 169.18 1sxl n ASN 20 N -1.28 -1.83 -2.71 8.08 4.05 -1.26 -1.46 115.26 118.85 1sxl n ASN 20 Ca -0.14 0.00 -0.03 0.00 0.45 0.00 0.00 54.58 54.86 1sxl n ASN 20 Cb 0.66 -0.31 0.10 0.00 1.23 0.00 0.00 39.78 41.47 1sxl n ASN 20 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1sxl n LEU 21 N 0.00 -0.76 -4.77 1.20 -0.00 -1.26 -4.28 117.00 107.14 1sxl n LEU 21 Ca 0.00 -3.28 -0.38 0.00 -0.00 0.00 0.00 56.01 52.35 1sxl n LEU 21 Cb 0.00 0.17 -0.05 0.00 -0.00 0.00 0.00 43.42 43.55 1sxl n LEU 21 CO 0.00 1.62 0.73 -2.16 -0.00 0.00 0.00 177.39 177.58 1sxl s PRO 22 N -0.86 4.48 0.00 1.47 0.04 -1.26 -3.13 135.00 135.75 1sxl s PRO 22 Ca 0.17 1.59 0.00 0.00 0.04 0.00 0.00 61.00 62.80 1sxl s PRO 22 Cb 0.42 -2.91 0.00 0.00 0.04 0.00 0.00 34.50 32.05 1sxl s PRO 22 CO -0.09 0.13 0.00 0.54 0.04 0.00 0.00 177.00 177.62 1sxl n ARG 23 N 0.67 -1.85 -0.12 4.56 5.12 -1.26 -4.75 116.66 119.03 1sxl n ARG 23 Ca 0.01 0.46 -0.17 0.00 -1.93 0.00 0.00 57.85 56.23 1sxl n ARG 23 Cb 0.48 -4.88 -0.13 0.00 -1.16 0.00 0.00 32.46 26.77 1sxl n ARG 23 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 1sxl n THR 24 N -2.05 1.48 -4.23 0.55 -2.24 -1.18 -5.02 114.28 101.59 1sxl n THR 24 Ca 0.00 -0.61 -0.13 0.00 -2.27 0.00 0.00 64.05 61.04 1sxl n THR 24 Cb 0.46 -1.31 -0.10 0.00 -2.10 0.00 0.00 70.33 67.28 1sxl n THR 24 CO 0.00 0.00 0.00 0.27 -0.57 0.00 0.00 175.07 174.77 1sxl s ILE 25 N -2.52 0.40 -0.02 2.28 -5.25 -1.25 -5.15 121.20 109.68 1sxl s ILE 25 Ca -0.32 -1.97 -0.02 0.00 -0.99 0.00 0.00 60.65 57.35 1sxl s ILE 25 Cb 0.09 -2.30 -0.04 0.00 2.95 0.00 0.00 42.46 43.16 1sxl s ILE 25 CO 0.63 -0.27 0.10 0.42 -1.79 0.00 0.00 174.94 174.03 1sxl s THR 26 N -3.86 4.92 0.03 8.37 -4.23 -1.26 -4.98 115.64 114.64 1sxl s THR 26 Ca 0.30 -0.29 -0.14 0.00 -1.18 0.00 0.00 61.69 60.39 1sxl s THR 26 Cb 0.07 -3.24 -0.06 0.00 1.34 0.00 0.00 72.50 70.61 1sxl s THR 26 CO 0.07 0.39 1.21 -2.24 -0.54 0.00 0.00 174.62 173.51 1sxl h ASP 27 N 4.20 -0.56 -0.78 3.99 2.03 -1.93 0.11 116.42 123.48 1sxl h ASP 27 Ca -0.50 0.05 0.23 0.00 -0.73 0.00 0.00 57.03 56.08 1sxl h ASP 27 Cb 1.19 0.19 -0.03 0.00 -0.83 0.00 0.00 39.33 39.85 1sxl h ASP 27 CO 0.63 -0.25 0.93 -2.24 -1.03 0.00 0.00 179.24 177.28 1sxl h ASP 28 N -0.36 0.00 0.61 4.15 2.03 -1.96 -0.25 116.42 120.63 1sxl h ASP 28 Ca -0.02 0.00 -0.03 0.00 -0.73 0.00 0.00 57.03 56.25 1sxl h ASP 28 Cb 0.33 0.00 0.01 0.00 -0.83 0.00 0.00 39.33 38.83 1sxl h ASP 28 CO -0.05 0.00 -0.29 -0.61 -1.03 0.00 0.00 179.24 177.26 1sxl h GLN 29 N 0.00 -0.78 -1.03 4.15 4.15 -1.18 -2.47 115.11 117.94 1sxl h GLN 29 Ca 0.37 0.05 0.30 0.00 0.77 0.00 0.00 58.65 60.14 1sxl h GLN 29 Cb 2.22 0.18 -0.04 0.00 0.21 0.00 0.00 27.48 30.05 1sxl h GLN 29 CO -0.00 -0.52 1.03 -0.07 -1.93 0.00 0.00 178.83 177.33 1sxl h LEU 30 N -1.00 0.00 0.28 -2.39 4.07 -0.69 0.37 115.31 115.95 1sxl h LEU 30 Ca -0.08 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 57.87 1sxl h LEU 30 Cb 0.62 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.35 1sxl h LEU 30 CO 0.14 0.00 -0.22 -0.78 -1.08 0.00 0.00 178.44 176.50 1sxl h ASP 31 N 0.00 -0.57 -0.46 -0.43 1.82 -1.36 -1.00 116.42 114.41 1sxl h ASP 31 Ca 0.49 0.05 -0.02 0.00 -0.39 0.00 0.00 57.03 57.15 1sxl h ASP 31 Cb 2.54 0.19 -0.02 0.00 0.68 0.00 0.00 39.33 42.72 1sxl h ASP 31 CO -0.01 -0.34 0.21 0.74 -1.61 0.00 0.00 179.24 178.23 1sxl h THR 32 N -0.51 1.19 0.00 2.25 2.02 -0.29 0.02 112.91 117.60 1sxl h THR 32 Ca -0.02 -0.58 0.00 0.00 0.77 0.00 0.00 66.41 66.59 1sxl h THR 32 Cb 0.45 0.72 0.00 0.00 -1.74 0.00 0.00 68.15 67.58 1sxl h THR 32 CO -0.01 0.22 0.11 -0.29 0.37 0.00 0.00 175.52 175.91 1sxl h ILE 33 N 0.60 0.00 0.00 3.11 -0.00 -1.14 -3.34 117.51 116.75 1sxl h ILE 33 Ca 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 64.86 65.02 1sxl h ILE 33 Cb 0.15 0.63 0.00 0.00 -0.00 0.00 0.00 36.82 37.60 1sxl h ILE 33 CO -0.02 0.00 0.00 0.49 -0.00 0.00 0.00 178.15 178.62 1sxl n PHE 34 N -2.57 0.00 -3.22 2.19 3.72 -0.13 -4.99 117.46 112.46 1sxl n PHE 34 Ca -0.02 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 57.08 1sxl n PHE 34 Cb 0.15 0.00 0.02 0.00 -0.94 0.00 0.00 39.48 38.71 1sxl n PHE 34 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1sxl n GLY 35 N 3.15 -0.16 0.00 1.37 0.00 -0.48 -4.75 105.19 104.32 1sxl n GLY 35 Ca 0.00 0.85 0.00 0.00 0.00 0.00 0.00 46.02 46.87 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 0.00 0.00 1.61 4.81 -1.26 -5.06 118.16 117.56 1sxl n LYS 36 Ca -0.13 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.31 1sxl n LYS 36 Cb 0.57 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.62 1sxl n LYS 36 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1sxl n TYR 37 N -0.68 0.00 -3.55 5.64 4.01 -1.26 -5.08 117.16 116.24 1sxl n TYR 37 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1sxl n TYR 37 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 1sxl n TYR 37 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1sxl n GLY 38 N 2.53 5.44 1.77 2.72 0.00 -1.26 -5.00 105.19 111.39 1sxl n GLY 38 Ca 0.00 -1.94 -0.10 0.00 0.00 0.00 0.00 46.02 43.98 1sxl n GLY 38 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1sxl n SER 39 N -0.90 3.81 -0.11 1.61 7.64 -1.26 -4.81 113.62 119.61 1sxl n SER 39 Ca 0.00 -3.01 0.01 0.00 1.01 0.00 0.00 58.87 56.88 1sxl n SER 39 Cb 0.00 -0.71 -0.00 0.00 -1.01 0.00 0.00 64.21 62.49 1sxl n SER 39 CO 0.00 0.00 0.00 2.30 -3.01 0.00 0.00 175.04 174.33 1sxl n ILE 40 N -0.33 0.00 0.03 0.44 -5.35 -1.26 -4.86 119.36 108.03 1sxl n ILE 40 Ca 0.36 0.00 -0.01 0.00 -0.27 0.00 0.00 62.75 62.83 1sxl n ILE 40 Cb 1.22 -0.02 -0.00 0.00 -1.74 0.00 0.00 39.64 39.10 1sxl n ILE 40 CO 0.00 0.00 0.00 0.52 -1.76 0.00 0.00 176.55 175.31 1sxl n VAL 41 N -0.42 1.04 -3.15 7.28 0.31 -1.26 -4.83 118.33 117.30 1sxl n VAL 41 Ca 0.00 0.33 0.06 0.00 -0.01 0.00 0.00 64.34 64.71 1sxl n VAL 41 Cb 0.02 -1.54 -0.01 0.00 -0.91 0.00 0.00 33.84 31.40 1sxl n VAL 41 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 1sxl s GLN 42 N -1.88 0.10 -0.15 5.55 -0.44 -1.26 -5.05 119.66 116.52 1sxl s GLN 42 Ca -0.02 0.15 -0.12 0.00 -2.50 0.00 0.00 55.36 52.88 1sxl s GLN 42 Cb 0.00 0.08 -0.05 0.00 -1.64 0.00 0.00 33.01 31.41 1sxl s GLN 42 CO 0.03 -0.13 0.23 -1.59 0.50 0.00 0.00 175.29 174.33 1sxl s LYS 43 N 2.97 4.08 0.06 1.67 -2.85 -1.26 -4.28 119.74 120.13 1sxl s LYS 43 Ca 0.04 -0.01 -0.03 0.00 -1.00 0.00 0.00 55.97 54.97 1sxl s LYS 43 Cb -0.07 -3.37 -0.03 0.00 -2.06 0.00 0.00 37.83 32.30 1sxl s LYS 43 CO -0.13 0.38 0.02 0.54 0.10 0.00 0.00 175.35 176.27 1sxl s ASN 44 N 0.07 0.39 -0.04 0.03 2.20 -0.47 -4.59 114.94 112.52 1sxl s ASN 44 Ca 0.14 -0.88 0.06 0.00 -0.94 0.00 0.00 52.86 51.24 1sxl s ASN 44 Cb -0.12 0.22 -0.01 0.00 -2.00 0.00 0.00 41.25 39.34 1sxl s ASN 44 CO 0.03 -0.60 -0.21 -0.51 -2.94 0.00 0.00 177.10 172.86 1sxl s ILE 45 N -3.70 1.71 -0.15 0.54 2.07 -1.26 -0.21 121.20 120.19 1sxl s ILE 45 Ca 0.05 -0.90 0.02 0.00 -1.41 0.00 0.00 60.65 58.41 1sxl s ILE 45 Cb 0.06 -1.44 0.01 0.00 0.13 0.00 0.00 42.46 41.22 1sxl s ILE 45 CO -0.09 0.48 -0.21 -1.48 -1.91 0.00 0.00 174.94 171.73 1sxl s LEU 46 N -0.24 2.09 0.00 8.50 2.34 -0.77 -5.02 118.68 125.59 1sxl s LEU 46 Ca 0.01 -0.61 0.00 0.00 0.06 0.00 0.00 54.13 53.59 1sxl s LEU 46 Cb -0.11 -1.44 0.00 0.00 -0.56 0.00 0.00 46.19 44.08 1sxl s LEU 46 CO 0.01 0.06 0.00 0.54 -1.06 0.00 0.00 176.35 175.90 1sxl n ARG 47 N 4.22 0.04 -3.72 1.48 1.74 -1.26 -2.47 116.66 116.69 1sxl n ARG 47 Ca -0.20 0.00 -0.17 0.00 -0.77 0.00 0.00 57.85 56.71 1sxl n ARG 47 Cb 0.51 0.00 -0.16 0.00 -1.02 0.00 0.00 32.46 31.79 1sxl n ARG 47 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1sxl s ASP 48 N -1.00 0.48 -0.23 0.55 1.11 -1.26 -4.67 116.67 111.65 1sxl s ASP 48 Ca 0.00 0.13 0.11 0.00 0.18 0.00 0.00 52.55 52.97 1sxl s ASP 48 Cb 0.00 -0.01 0.44 0.00 1.07 0.00 0.00 42.92 44.42 1sxl s ASP 48 CO 0.00 -0.19 1.20 0.29 1.18 0.00 0.00 175.17 177.66 1sxl n LYS 49 N 4.71 2.25 0.05 8.23 5.02 -1.26 -4.38 118.16 132.77 1sxl n LYS 49 Ca -0.16 -3.56 0.00 0.00 -2.02 0.00 0.00 58.31 52.56 1sxl n LYS 49 Cb 0.50 -1.78 0.00 0.00 -0.02 0.00 0.00 35.03 33.73 1sxl n LYS 49 CO 0.00 0.00 0.00 1.47 -0.52 0.00 0.00 177.40 178.35 1sxl n LEU 50 N -0.89 -0.04 -0.08 -0.35 -0.00 -1.26 -4.94 117.00 109.44 1sxl n LEU 50 Ca 0.27 0.15 -0.10 0.00 -0.00 0.00 0.00 56.01 56.33 1sxl n LEU 50 Cb 0.81 0.12 -0.10 0.00 -0.00 0.00 0.00 43.42 44.25 1sxl n LEU 50 CO 0.12 -0.57 -1.04 0.35 -0.00 0.00 0.00 177.39 176.25 1sxl n THR 51 N -2.83 1.03 -0.10 1.47 -2.24 -1.26 -5.04 114.28 105.32 1sxl n THR 51 Ca 0.00 -0.52 0.00 0.00 -2.27 0.00 0.00 64.05 61.26 1sxl n THR 51 Cb 0.02 -0.87 0.00 0.00 -2.10 0.00 0.00 70.33 67.38 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 2.34 0.73 3.73 3.38 0.00 -1.26 -5.07 105.19 109.03 1sxl n GLY 52 Ca -0.28 -0.02 -0.32 0.00 0.00 0.00 0.00 46.02 45.39 1sxl n GLY 52 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1sxl s ARG 53 N 0.32 1.88 -0.04 1.61 3.52 -1.26 -4.93 118.95 120.05 1sxl s ARG 53 Ca 0.00 1.46 0.19 0.00 -0.13 0.00 0.00 55.73 57.26 1sxl s ARG 53 Cb 0.00 -1.83 0.61 0.00 -1.56 0.00 0.00 34.95 32.17 1sxl s ARG 53 CO 0.00 -1.98 1.51 -0.35 -0.81 0.00 0.00 175.30 173.68 1sxl n PRO 54 N -3.44 3.04 -2.97 5.12 -0.04 -1.26 -4.66 135.00 130.79 1sxl n PRO 54 Ca 0.11 -2.63 -0.01 0.00 -0.04 0.00 0.00 63.50 60.92 1sxl n PRO 54 Cb 0.52 -1.62 0.00 0.00 -0.04 0.00 0.00 33.50 32.36 1sxl n PRO 54 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1sxl s ARG 55 N -1.29 0.89 0.00 0.54 0.52 -1.26 -4.96 118.95 113.39 1sxl s ARG 55 Ca 0.45 -0.62 0.00 0.00 -0.52 0.00 0.00 55.73 55.04 1sxl s ARG 55 Cb 0.26 0.02 0.00 0.00 0.52 0.00 0.00 34.95 35.75 1sxl s ARG 55 CO 0.27 -1.18 0.00 0.41 0.02 0.00 0.00 175.30 174.82 1sxl n GLY 56 N 3.65 0.28 3.48 -3.53 0.00 -1.26 -4.96 105.19 102.85 1sxl n GLY 56 Ca 0.14 -0.02 -0.12 0.00 0.00 0.00 0.00 46.02 46.02 1sxl n GLY 56 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1sxl s VAL 57 N 0.00 0.00 0.47 1.61 -7.23 -1.03 -4.72 120.40 109.50 1sxl s VAL 57 Ca 0.00 0.00 0.06 0.00 -1.81 0.00 0.00 61.98 60.23 1sxl s VAL 57 Cb 0.00 -1.00 -0.00 0.00 0.56 0.00 0.00 36.38 35.94 1sxl s VAL 57 CO 0.00 0.00 0.33 0.00 -0.31 0.00 0.00 175.10 175.12 1sxl s ALA 58 N -2.88 4.10 -0.25 1.32 0.00 0.14 -1.85 121.76 122.35 1sxl s ALA 58 Ca 0.00 -1.63 -0.03 0.00 0.00 0.00 0.00 51.96 50.30 1sxl s ALA 58 Cb -0.01 -0.70 0.10 0.00 0.00 0.00 0.00 23.12 22.52 1sxl s ALA 58 CO -0.07 -0.30 0.20 -0.06 0.00 0.00 0.00 175.76 175.53 1sxl s PHE 59 N -2.65 -0.09 0.55 0.00 0.40 0.70 -1.76 117.98 115.14 1sxl s PHE 59 Ca 0.39 -0.29 -0.10 0.00 -0.60 0.00 0.00 56.93 56.32 1sxl s PHE 59 Cb -0.01 -0.60 -0.05 0.00 0.51 0.00 0.00 43.02 42.88 1sxl s PHE 59 CO 0.23 -0.75 0.94 0.08 0.70 0.00 0.00 175.22 176.42 1sxl s VAL 60 N 2.24 4.74 -0.06 -0.44 1.01 -0.43 -1.37 120.40 126.10 1sxl s VAL 60 Ca 0.08 0.73 0.06 0.00 0.00 0.00 0.00 61.98 62.84 1sxl s VAL 60 Cb -0.15 -3.83 -0.01 0.00 0.00 0.00 0.00 36.38 32.38 1sxl s VAL 60 CO -0.25 -0.95 -0.24 0.00 0.00 0.00 0.00 175.10 173.67 1sxl s ARG 61 N -4.78 2.59 -0.21 2.72 1.70 -1.26 -2.75 118.95 116.97 1sxl s ARG 61 Ca 0.53 -0.88 -0.18 0.00 -0.47 0.00 0.00 55.73 54.74 1sxl s ARG 61 Cb -0.11 -2.20 0.06 0.00 -0.57 0.00 0.00 34.95 32.13 1sxl s ARG 61 CO 0.46 0.39 0.55 0.71 -1.08 0.00 0.00 175.30 176.33 1sxl s TYR 62 N -0.18 -0.65 -0.01 5.89 1.51 -1.26 -4.14 117.35 118.51 1sxl s TYR 62 Ca -0.03 1.52 -0.01 0.00 -1.01 0.00 0.00 57.07 57.54 1sxl s TYR 62 Cb -0.14 0.25 -0.01 0.00 -0.11 0.00 0.00 41.96 41.96 1sxl s TYR 62 CO 0.04 -0.32 -0.02 0.27 -1.11 0.00 0.00 175.55 174.41 1sxl n ASN 63 N 3.09 0.15 -4.66 2.29 0.23 -1.25 0.91 115.26 116.02 1sxl n ASN 63 Ca -0.15 0.02 -0.44 0.00 -0.53 0.00 0.00 54.58 53.48 1sxl n ASN 63 Cb 0.56 -0.06 -0.02 0.00 -2.08 0.00 0.00 39.78 38.18 1sxl n ASN 63 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 1sxl n LYS 64 N -3.09 1.90 -0.20 -3.83 4.76 -1.26 -2.84 118.16 113.60 1sxl n LYS 64 Ca -0.03 0.67 -0.08 0.00 -2.87 0.00 0.00 58.31 56.00 1sxl n LYS 64 Cb 0.51 -2.25 0.02 0.00 -1.84 0.00 0.00 35.03 31.47 1sxl n LYS 64 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1sxl h ARG 65 N 3.32 0.84 -0.20 1.97 -0.00 -1.92 0.12 114.38 118.51 1sxl h ARG 65 Ca -0.44 -0.15 -0.13 0.00 -0.50 0.00 0.00 59.98 58.76 1sxl h ARG 65 Cb 1.29 -0.14 0.00 0.00 0.00 0.00 0.00 29.97 31.12 1sxl h ARG 65 CO 0.69 0.72 -0.37 0.93 0.00 0.00 0.00 179.97 181.94 1sxl h GLU 66 N 0.77 0.61 0.00 0.04 5.08 -1.98 -2.66 114.58 116.43 1sxl h GLU 66 Ca 0.19 -0.38 -0.01 0.00 -1.00 0.00 0.00 59.36 58.16 1sxl h GLU 66 Cb 0.19 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.48 1sxl h GLU 66 CO -0.02 0.99 -0.05 1.49 -1.00 0.00 0.00 179.01 180.43 1sxl h GLU 67 N 0.29 0.00 -0.03 2.33 4.57 -1.86 -2.00 114.58 117.88 1sxl h GLU 67 Ca 0.01 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.15 1sxl h GLU 67 Cb 0.96 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.55 1sxl h GLU 67 CO 0.08 0.05 -0.13 0.00 -1.18 0.00 0.00 179.01 177.83 1sxl h ALA 68 N 1.95 0.06 -1.04 2.92 0.00 -0.49 -2.51 119.26 120.15 1sxl h ALA 68 Ca -0.00 -0.37 0.28 0.00 0.00 0.00 0.00 54.91 54.82 1sxl h ALA 68 Cb 0.13 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.85 1sxl h ALA 68 CO 0.01 -0.02 0.71 0.37 0.00 0.00 0.00 179.25 180.32 1sxl h GLN 69 N -0.42 0.19 0.19 0.00 5.75 -1.04 0.66 115.11 120.43 1sxl h GLN 69 Ca -0.01 -0.01 -0.01 0.00 -0.15 0.00 0.00 58.65 58.47 1sxl h GLN 69 Cb 0.77 -0.04 0.00 0.00 1.07 0.00 0.00 27.48 29.28 1sxl h GLN 69 CO 0.03 0.12 -0.10 0.93 -2.65 0.00 0.00 178.83 177.16 1sxl h GLU 70 N 0.19 -0.26 -0.29 1.69 3.07 -1.03 -0.78 114.58 117.17 1sxl h GLU 70 Ca 0.54 0.02 0.08 0.00 -0.50 0.00 0.00 59.36 59.50 1sxl h GLU 70 Cb 1.75 0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 29.71 1sxl h GLU 70 CO -0.14 -0.18 0.77 0.00 -1.40 0.00 0.00 179.01 178.07 1sxl h ALA 71 N -1.80 2.05 -0.03 3.43 0.00 -0.63 0.68 119.26 122.95 1sxl h ALA 71 Ca -0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1sxl h ALA 71 Cb 0.21 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1sxl h ALA 71 CO 0.03 -0.92 0.00 -0.89 0.00 0.00 0.00 179.25 177.47 1sxl n ILE 72 N -2.96 0.00 0.69 0.00 2.08 -0.25 -0.40 119.36 118.52 1sxl n ILE 72 Ca 0.06 0.78 -0.00 0.00 0.56 0.00 0.00 62.75 64.14 1sxl n ILE 72 Cb 0.88 -1.77 0.05 0.00 -0.75 0.00 0.00 39.64 38.06 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 -1.98 2.10 0.01 4.38 2.88 -0.61 -1.98 113.62 118.41 1sxl n SER 73 Ca 0.00 -2.17 0.00 0.00 -1.33 0.00 0.00 58.87 55.37 1sxl n SER 73 Cb 0.00 -0.54 0.00 0.00 -0.75 0.00 0.00 64.21 62.92 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 0.14 3.00 0.09 -1.46 0.00 0.23 -4.87 120.51 117.64 1sxl n ALA 74 Ca 0.06 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.27 1sxl n ALA 74 Cb 0.47 0.03 -0.15 0.00 0.00 0.00 0.00 19.45 19.81 1sxl n ALA 74 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1sxl h LEU 75 N 0.00 0.69 -7.68 0.00 4.07 -0.71 -3.44 115.31 108.24 1sxl h LEU 75 Ca 0.00 -0.91 -0.52 0.00 0.08 0.00 0.00 57.88 56.53 1sxl h LEU 75 Cb 0.06 -0.22 -0.08 0.00 1.08 0.00 0.00 40.66 41.50 1sxl h LEU 75 CO 0.00 1.54 1.63 -3.20 -1.08 0.00 0.00 178.44 177.33 1sxl n ASN 76 N -3.92 0.34 -1.43 -0.43 4.05 0.03 -2.05 115.26 111.85 1sxl n ASN 76 Ca -0.15 0.24 0.00 0.00 0.45 0.00 0.00 54.58 55.12 1sxl n ASN 76 Cb 0.95 -0.88 0.00 0.00 1.23 0.00 0.00 39.78 41.08 1sxl n ASN 76 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 177.26 174.80 1sxl n ASN 77 N 9.67 -1.91 -2.59 1.20 3.02 -1.21 -4.81 115.26 118.63 1sxl n ASN 77 Ca 0.62 0.00 -0.25 0.00 -0.03 0.00 0.00 54.58 54.91 1sxl n ASN 77 Cb 0.02 -0.96 -0.09 0.00 -0.61 0.00 0.00 39.78 38.15 1sxl n ASN 77 CO 0.00 0.00 0.00 0.55 -2.62 0.00 0.00 177.26 175.19 1sxl n VAL 78 N -0.48 3.66 -4.46 2.41 3.14 -0.87 -4.85 118.33 116.89 1sxl n VAL 78 Ca 0.00 -2.61 -0.29 0.00 -2.96 0.00 0.00 64.34 58.48 1sxl n VAL 78 Cb 0.00 -1.96 -0.08 0.00 -1.06 0.00 0.00 33.84 30.74 1sxl n VAL 78 CO 0.00 0.00 0.00 0.27 -6.46 0.00 0.00 176.83 170.64 1sxl s ILE 79 N -0.29 1.75 -0.58 1.55 -4.36 -1.26 -4.96 121.20 113.05 1sxl s ILE 79 Ca 0.63 -1.86 0.07 0.00 -0.26 0.00 0.00 60.65 59.23 1sxl s ILE 79 Cb 0.30 -2.61 0.44 0.00 1.25 0.00 0.00 42.46 41.84 1sxl s ILE 79 CO -0.10 0.00 1.18 -0.81 0.24 0.00 0.00 174.94 175.45 1sxl n PRO 80 N -1.24 3.05 -2.31 0.37 -0.04 -1.26 -4.90 135.00 128.67 1sxl n PRO 80 Ca -0.08 -1.69 -0.00 0.00 -0.04 0.00 0.00 63.50 61.69 1sxl n PRO 80 Cb 0.66 -1.90 0.00 0.00 -0.04 0.00 0.00 33.50 32.22 1sxl n PRO 80 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1sxl n GLU 81 N 0.31 -0.72 0.00 0.54 2.13 -1.26 -4.85 120.64 116.79 1sxl n GLU 81 Ca 0.15 1.04 0.00 0.00 0.66 0.00 0.00 57.16 59.02 1sxl n GLU 81 Cb 0.77 -3.73 0.00 0.00 0.27 0.00 0.00 31.44 28.75 1sxl n GLU 81 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1sxl n GLY 82 N -1.35 0.53 0.00 8.31 0.00 -1.26 -5.13 105.19 106.29 1sxl n GLY 82 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.12 2.36 -0.02 0.00 -1.26 -5.04 105.19 101.10 1sxl n GLY 83 Ca 0.00 -1.23 -0.03 0.00 0.00 0.00 0.00 46.02 44.76 1sxl n GLY 83 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1sxl n SER 84 N 0.00 -1.36 -3.65 1.61 3.41 -1.26 -5.04 113.62 107.34 1sxl n SER 84 Ca 0.00 -2.15 -0.28 0.00 -0.26 0.00 0.00 58.87 56.18 1sxl n SER 84 Cb 0.00 0.61 -0.12 0.00 -0.26 0.00 0.00 64.21 64.44 1sxl n SER 84 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1sxl s GLN 85 N 0.11 1.52 0.33 4.33 -1.52 -1.26 -5.03 119.66 118.13 1sxl s GLN 85 Ca 0.07 -2.49 0.08 0.00 -1.95 0.00 0.00 55.36 51.07 1sxl s GLN 85 Cb 0.36 -2.33 -0.04 0.00 -0.22 0.00 0.00 33.01 30.79 1sxl s GLN 85 CO -0.11 -1.29 0.20 -1.25 -0.25 0.00 0.00 175.29 172.59 1sxl s PRO 86 N -0.36 2.57 -0.18 2.91 0.04 -1.26 -4.15 135.00 134.56 1sxl s PRO 86 Ca 0.26 -1.39 -0.03 0.00 0.04 0.00 0.00 61.00 59.88 1sxl s PRO 86 Cb -0.07 -2.34 -0.01 0.00 0.04 0.00 0.00 34.50 32.12 1sxl s PRO 86 CO -0.13 0.15 -0.07 -0.48 0.04 0.00 0.00 177.00 176.50 1sxl s LEU 87 N -3.90 2.88 -0.58 -3.56 0.05 -1.26 -4.15 118.68 108.15 1sxl s LEU 87 Ca 0.38 -0.34 -0.28 0.00 0.05 0.00 0.00 54.13 53.94 1sxl s LEU 87 Cb -0.05 -1.70 0.03 0.00 -2.05 0.00 0.00 46.19 42.42 1sxl s LEU 87 CO 0.24 0.06 1.25 -0.44 -0.55 0.00 0.00 176.35 176.91 1sxl s SER 88 N 0.98 6.36 0.76 1.48 0.01 -0.54 -3.33 113.70 119.42 1sxl s SER 88 Ca -0.01 0.13 0.00 0.00 1.31 0.00 0.00 55.95 57.38 1sxl s SER 88 Cb -0.15 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.53 1sxl s SER 88 CO -0.00 -1.55 0.00 1.33 0.41 0.00 0.00 173.24 173.43 1sxl n VAL 89 N 6.71 0.00 0.00 3.43 0.24 -1.25 -2.68 118.33 124.78 1sxl n VAL 89 Ca 0.09 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.39 1sxl n VAL 89 Cb 0.49 -1.73 0.00 0.00 -1.47 0.00 0.00 33.84 31.13 1sxl n VAL 89 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 1sxl n ARG 90 N -0.86 0.00 -1.09 7.34 0.63 -1.23 -4.72 116.66 116.73 1sxl n ARG 90 Ca 0.00 0.00 -0.35 0.00 -0.92 0.00 0.00 57.85 56.58 1sxl n ARG 90 Cb 0.00 0.00 -0.01 0.00 0.45 0.00 0.00 32.46 32.90 1sxl n ARG 90 CO 0.00 0.00 0.00 -0.11 -2.51 0.00 0.00 177.63 175.01 1sxl n LEU 91 N 0.00 -2.23 0.01 6.15 7.94 -1.24 -1.49 117.00 126.14 1sxl n LEU 91 Ca 0.00 0.71 -0.01 0.00 -1.11 0.00 0.00 56.01 55.60 1sxl n LEU 91 Cb 0.00 -0.74 -0.00 0.00 0.53 0.00 0.00 43.42 43.21 1sxl n LEU 91 CO 0.00 -3.38 0.07 0.00 -1.11 0.00 0.00 177.39 172.98 1sxl h ALA 92 N 0.34 -0.16 -4.08 1.96 0.00 -1.87 -3.39 119.26 112.06 1sxl h ALA 92 Ca -0.30 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.56 1sxl h ALA 92 Cb 1.20 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 1sxl h ALA 92 CO 0.40 -0.15 -0.02 0.39 0.00 0.00 0.00 179.25 179.86 1sxl n GLU 93 N -2.68 1.77 -0.19 0.00 -0.58 -1.26 -5.01 120.64 112.70 1sxl n GLU 93 Ca -0.01 -0.22 0.07 0.00 -0.42 0.00 0.00 57.16 56.58 1sxl n GLU 93 Cb 0.02 0.05 0.19 0.00 -0.57 0.00 0.00 31.44 31.13 1sxl n GLU 93 CO 0.00 0.00 0.00 -0.85 -0.48 0.00 0.00 177.13 175.80 1sxl n GLU 94 N -0.24 1.89 -0.08 3.49 0.28 -1.26 -3.87 120.64 120.85 1sxl n GLU 94 Ca -0.01 -1.37 -0.10 0.00 -0.16 0.00 0.00 57.16 55.52 1sxl n GLU 94 Cb 0.04 -1.31 -0.15 0.00 1.43 0.00 0.00 31.44 31.44 1sxl n GLU 94 CO 0.00 0.00 0.00 -2.39 -0.16 0.00 0.00 177.13 174.58 1sxl n HIS 95 N 0.61 0.25 0.00 -1.84 1.44 -1.26 -3.24 115.22 111.18 1sxl n HIS 95 Ca 0.13 0.09 0.00 0.00 -2.01 0.00 0.00 57.72 55.93 1sxl n HIS 95 Cb 0.33 -1.05 0.00 0.00 0.12 0.00 0.00 29.99 29.39 1sxl n HIS 95 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1sxl n GLY 96 N 1.73 2.64 0.70 -1.39 0.00 -1.25 -3.12 105.19 104.49 1sxl n GLY 96 Ca -0.30 0.34 0.09 0.00 0.00 0.00 0.00 46.02 46.15 1sxl n GLY 96 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49