#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 0.00 -1.37 6.12 3.41 -1.26 -4.95 113.62 115.57 1sxl n SER 2 Ca 0.00 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 58.60 1sxl n SER 2 Cb 0.00 0.00 0.19 0.00 -0.26 0.00 0.00 64.21 64.14 1sxl n SER 2 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1sxl n TYR 3 N 0.00 1.28 -4.24 7.33 4.01 -1.26 -4.82 117.16 119.46 1sxl n TYR 3 Ca 0.00 -0.62 -0.19 0.00 -0.16 0.00 0.00 57.90 56.92 1sxl n TYR 3 Cb 0.00 -0.41 -0.16 0.00 -0.31 0.00 0.00 39.34 38.46 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 -1.91 0.69 0.32 -0.72 0.00 -1.26 -5.14 121.76 113.73 1sxl s ALA 4 Ca 0.30 -0.17 -0.05 0.00 0.00 0.00 0.00 51.96 52.04 1sxl s ALA 4 Cb 0.24 -0.33 0.00 0.00 0.00 0.00 0.00 23.12 23.02 1sxl s ALA 4 CO 0.08 0.06 0.47 -0.98 0.00 0.00 0.00 175.76 175.39 1sxl s ARG 5 N 0.50 1.81 0.37 0.00 3.03 -1.26 -4.50 118.95 118.89 1sxl s ARG 5 Ca -0.07 -1.63 0.08 0.00 2.03 0.00 0.00 55.73 56.14 1sxl s ARG 5 Cb -0.11 0.45 -0.04 0.00 -1.03 0.00 0.00 34.95 34.22 1sxl s ARG 5 CO 0.00 -0.75 0.19 -1.25 -1.13 0.00 0.00 175.30 172.37 1sxl s PRO 6 N -3.29 2.38 0.00 3.89 0.04 -1.26 -5.14 135.00 131.62 1sxl s PRO 6 Ca 0.29 -1.60 0.00 0.00 0.04 0.00 0.00 61.00 59.72 1sxl s PRO 6 Cb -0.00 -2.17 0.00 0.00 0.04 0.00 0.00 34.50 32.36 1sxl s PRO 6 CO 0.17 0.01 0.00 0.41 0.04 0.00 0.00 177.00 177.63 1sxl n GLY 7 N -1.24 4.42 0.00 0.56 0.00 -1.26 -4.81 105.19 102.86 1sxl n GLY 7 Ca -0.02 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 44.91 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 0.92 0.00 -0.02 0.00 -1.05 -4.83 105.19 100.21 1sxl n GLY 8 Ca 0.00 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.23 1sxl n GLY 8 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1sxl n GLU 9 N 0.00 0.00 -0.01 1.61 2.13 -1.26 -4.84 120.64 118.27 1sxl n GLU 9 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1sxl n GLU 9 Cb 0.00 0.00 -0.00 0.00 0.27 0.00 0.00 31.44 31.71 1sxl n GLU 9 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 1sxl n SER 10 N -1.57 -0.13 -4.54 4.31 3.41 -1.26 -4.32 113.62 109.52 1sxl n SER 10 Ca 0.00 0.01 -0.17 0.00 -0.26 0.00 0.00 58.87 58.45 1sxl n SER 10 Cb 0.00 -0.02 -0.13 0.00 -0.26 0.00 0.00 64.21 63.79 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 -0.29 -0.00 -1.57 -1.33 0.00 -1.26 -4.37 119.36 110.53 1sxl n ILE 11 Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 62.75 62.25 1sxl n ILE 11 Cb 0.00 -1.20 0.00 0.00 0.00 0.00 0.00 39.64 38.45 1sxl n ILE 11 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 1sxl n LYS 12 N 7.49 -4.42 -3.23 9.51 5.02 -1.26 -4.62 118.16 126.65 1sxl n LYS 12 Ca 0.55 3.33 -0.02 0.00 -2.02 0.00 0.00 58.31 60.15 1sxl n LYS 12 Cb 0.31 -3.85 -0.03 0.00 -0.02 0.00 0.00 35.03 31.44 1sxl n LYS 12 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1sxl s ASP 13 N -3.94 -0.70 -0.38 4.39 2.15 -1.26 -4.77 116.67 112.16 1sxl s ASP 13 Ca 0.00 -0.26 0.08 0.00 0.43 0.00 0.00 52.55 52.80 1sxl s ASP 13 Cb 0.00 1.59 0.34 0.00 -0.30 0.00 0.00 42.92 44.55 1sxl s ASP 13 CO 0.00 -0.30 1.31 0.41 -0.17 0.00 0.00 175.17 176.42 1sxl n THR 14 N 5.20 0.00 -1.40 1.71 -1.04 0.51 -2.52 114.28 116.74 1sxl n THR 14 Ca 0.04 -1.35 -0.23 0.00 -2.04 0.00 0.00 64.05 60.48 1sxl n THR 14 Cb 0.52 0.93 0.17 0.00 -1.82 0.00 0.00 70.33 70.13 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 -0.61 -0.67 -3.74 8.00 4.13 -0.37 -3.91 115.26 118.09 1sxl n ASN 15 Ca -0.07 -1.23 -0.14 0.00 1.68 0.00 0.00 54.58 54.82 1sxl n ASN 15 Cb 0.82 -0.77 -0.15 0.00 -1.54 0.00 0.00 39.78 38.14 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 0.70 -0.84 3.41 2.34 -1.08 -2.57 118.68 120.64 1sxl s LEU 16 Ca 0.56 0.26 -0.25 0.00 0.06 0.00 0.00 54.13 54.76 1sxl s LEU 16 Cb -0.03 0.28 0.03 0.00 -0.56 0.00 0.00 46.19 45.91 1sxl s LEU 16 CO 0.41 -0.16 1.41 -0.47 -1.06 0.00 0.00 176.35 176.48 1sxl s TYR 17 N 1.27 2.31 -0.57 3.48 5.04 -0.92 -1.73 117.35 126.22 1sxl s TYR 17 Ca -0.08 -0.25 -0.28 0.00 -2.44 0.00 0.00 57.07 54.02 1sxl s TYR 17 Cb -0.12 -4.59 0.03 0.00 0.35 0.00 0.00 41.96 37.63 1sxl s TYR 17 CO -0.05 -2.03 1.19 0.14 -1.34 0.00 0.00 175.55 173.45 1sxl s VAL 18 N 5.88 4.04 0.36 3.14 -7.23 -0.44 -4.06 120.40 122.09 1sxl s VAL 18 Ca 0.43 0.93 0.07 0.00 -1.81 0.00 0.00 61.98 61.60 1sxl s VAL 18 Cb -0.05 -4.71 -0.00 0.00 0.56 0.00 0.00 36.38 32.17 1sxl s VAL 18 CO 0.06 -1.31 0.51 0.42 -0.31 0.00 0.00 175.10 174.46 1sxl s THR 19 N 4.90 3.73 -0.50 5.32 -4.23 -0.98 -0.54 115.64 123.35 1sxl s THR 19 Ca 0.43 -0.99 -0.07 0.00 -1.18 0.00 0.00 61.69 59.88 1sxl s THR 19 Cb -0.07 -3.28 0.01 0.00 1.34 0.00 0.00 72.50 70.49 1sxl s THR 19 CO 0.26 -0.11 0.56 0.59 -0.54 0.00 0.00 174.62 175.38 1sxl n ASN 20 N -1.72 -7.08 -4.07 3.99 5.03 -0.60 -2.52 115.26 108.29 1sxl n ASN 20 Ca 0.02 0.22 -0.08 0.00 0.87 0.00 0.00 54.58 55.62 1sxl n ASN 20 Cb 0.58 -4.76 -0.10 0.00 -1.02 0.00 0.00 39.78 34.48 1sxl n ASN 20 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1sxl s LEU 21 N -3.02 2.44 0.00 3.41 1.02 -1.26 -4.34 118.68 116.94 1sxl s LEU 21 Ca 0.11 -0.90 0.02 0.00 0.02 0.00 0.00 54.13 53.38 1sxl s LEU 21 Cb -0.03 0.16 0.07 0.00 0.02 0.00 0.00 46.19 46.41 1sxl s LEU 21 CO 0.66 -0.53 0.52 -0.81 0.02 0.00 0.00 176.35 176.21 1sxl n PRO 22 N 0.40 0.39 -0.20 1.29 -0.04 -1.26 -4.82 135.00 130.74 1sxl n PRO 22 Ca -0.16 -1.58 0.11 0.00 -0.04 0.00 0.00 63.50 61.82 1sxl n PRO 22 Cb 0.60 -0.30 0.27 0.00 -0.04 0.00 0.00 33.50 34.03 1sxl n PRO 22 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1sxl n ARG 23 N -1.93 2.26 0.00 0.54 0.63 -1.26 -4.01 116.66 112.89 1sxl n ARG 23 Ca 0.09 -1.93 0.15 0.00 -0.92 0.00 0.00 57.85 55.24 1sxl n ARG 23 Cb 0.33 -1.46 0.72 0.00 0.45 0.00 0.00 32.46 32.50 1sxl n ARG 23 CO 0.00 0.00 0.00 -2.37 -2.51 0.00 0.00 177.63 172.75 1sxl n THR 24 N 1.11 0.00 -4.47 5.15 5.66 -1.26 -4.69 114.28 115.77 1sxl n THR 24 Ca 0.19 -0.00 -0.26 0.00 -3.05 0.00 0.00 64.05 60.92 1sxl n THR 24 Cb 0.50 -0.46 -0.17 0.00 -1.55 0.00 0.00 70.33 68.65 1sxl n THR 24 CO 0.00 0.00 0.00 0.27 -3.05 0.00 0.00 175.07 172.29 1sxl s ILE 25 N -2.63 1.21 0.44 1.09 -5.25 -1.26 -5.12 121.20 109.69 1sxl s ILE 25 Ca 0.26 -0.49 0.08 0.00 -0.99 0.00 0.00 60.65 59.51 1sxl s ILE 25 Cb 0.20 -1.12 0.02 0.00 2.95 0.00 0.00 42.46 44.51 1sxl s ILE 25 CO 0.47 0.38 0.61 0.42 -1.79 0.00 0.00 174.94 175.03 1sxl s THR 26 N 0.88 2.89 0.02 8.37 -4.23 -1.26 -4.93 115.64 117.37 1sxl s THR 26 Ca -0.10 -0.98 -0.25 0.00 -1.18 0.00 0.00 61.69 59.17 1sxl s THR 26 Cb -0.15 -2.90 -0.17 0.00 1.34 0.00 0.00 72.50 70.61 1sxl s THR 26 CO 0.01 0.00 1.33 -2.24 -0.54 0.00 0.00 174.62 173.18 1sxl h ASP 27 N 0.56 -0.28 0.27 3.99 2.03 -1.87 -2.18 116.42 118.93 1sxl h ASP 27 Ca -0.39 -0.19 0.00 0.00 -0.73 0.00 0.00 57.03 55.72 1sxl h ASP 27 Cb 1.28 0.07 0.00 0.00 -0.83 0.00 0.00 39.33 39.85 1sxl h ASP 27 CO 0.45 0.05 0.00 0.47 -1.03 0.00 0.00 179.24 179.17 1sxl n ASP 28 N -5.11 0.22 -0.02 4.15 8.00 -1.26 -2.76 116.55 119.77 1sxl n ASP 28 Ca -0.09 0.58 -0.06 0.00 0.71 0.00 0.00 54.79 55.92 1sxl n ASP 28 Cb 0.24 -0.62 -0.05 0.00 -0.02 0.00 0.00 41.12 40.67 1sxl n ASP 28 CO 0.00 0.00 0.00 -0.61 -0.39 0.00 0.00 177.20 176.20 1sxl h GLN 29 N 0.00 -0.07 -1.05 -1.24 4.15 -1.79 -3.24 115.11 111.87 1sxl h GLN 29 Ca 0.00 0.00 0.34 0.00 0.77 0.00 0.00 58.65 59.76 1sxl h GLN 29 Cb 0.13 0.02 -0.14 0.00 0.21 0.00 0.00 27.48 27.70 1sxl h GLN 29 CO 0.00 0.30 0.62 -0.07 -1.93 0.00 0.00 178.83 177.75 1sxl h LEU 30 N -0.99 0.47 -0.22 -2.39 4.07 -1.28 0.38 115.31 115.36 1sxl h LEU 30 Ca -0.01 0.17 0.01 0.00 0.08 0.00 0.00 57.88 58.14 1sxl h LEU 30 Cb 0.40 0.13 -0.02 0.00 1.08 0.00 0.00 40.66 42.24 1sxl h LEU 30 CO 0.01 -0.13 0.10 -0.78 -1.08 0.00 0.00 178.44 176.56 1sxl h ASP 31 N 0.29 0.15 0.26 -0.43 3.58 -1.63 -1.14 116.42 117.51 1sxl h ASP 31 Ca 0.74 0.01 -0.01 0.00 0.42 0.00 0.00 57.03 58.19 1sxl h ASP 31 Cb 1.81 -0.02 -0.00 0.00 1.72 0.00 0.00 39.33 42.84 1sxl h ASP 31 CO -0.55 0.12 -0.05 0.74 -2.88 0.00 0.00 179.24 176.62 1sxl h THR 32 N 0.22 0.34 0.00 2.25 2.02 -0.28 0.28 112.91 117.74 1sxl h THR 32 Ca 0.09 -0.27 -0.14 0.00 0.77 0.00 0.00 66.41 66.86 1sxl h THR 32 Cb 0.02 1.20 -0.02 0.00 -1.74 0.00 0.00 68.15 67.61 1sxl h THR 32 CO -0.06 0.05 -0.68 -0.29 0.37 0.00 0.00 175.52 174.90 1sxl h ILE 33 N 0.00 1.08 0.00 3.11 2.10 -0.64 -3.42 117.51 119.75 1sxl h ILE 33 Ca -0.00 -2.54 0.00 0.00 1.08 0.00 0.00 64.86 63.40 1sxl h ILE 33 Cb 0.19 2.53 0.00 0.00 -1.09 0.00 0.00 36.82 38.45 1sxl h ILE 33 CO 0.01 0.62 0.00 0.49 -1.08 0.00 0.00 178.15 178.18 1sxl n PHE 34 N -3.25 0.00 -2.86 2.19 3.72 -0.66 -5.03 117.46 111.57 1sxl n PHE 34 Ca 0.01 0.00 -0.27 0.00 -0.05 0.00 0.00 57.45 57.14 1sxl n PHE 34 Cb 0.80 0.00 0.02 0.00 -0.94 0.00 0.00 39.48 39.36 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 2.90 0.00 0.62 1.37 0.00 0.89 -4.86 105.19 106.11 1sxl n GLY 35 Ca 0.00 0.77 -0.02 0.00 0.00 0.00 0.00 46.02 46.77 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 -0.37 0.00 0.00 1.61 0.00 -1.26 -5.06 118.16 113.08 1sxl n LYS 36 Ca -0.09 -0.34 0.00 0.00 0.00 0.00 0.00 58.31 57.89 1sxl n LYS 36 Cb 0.49 0.42 0.00 0.00 0.00 0.00 0.00 35.03 35.93 1sxl n LYS 36 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.40 179.88 1sxl n TYR 37 N 0.00 0.00 -3.46 5.64 4.11 -1.26 -5.16 117.16 117.03 1sxl n TYR 37 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.81 1sxl n TYR 37 Cb 0.39 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.73 1sxl n TYR 37 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 1sxl n GLY 38 N 1.51 4.04 3.47 -7.48 0.00 -1.26 -5.00 105.19 100.47 1sxl n GLY 38 Ca 0.00 -2.15 -0.43 0.00 0.00 0.00 0.00 46.02 43.44 1sxl n GLY 38 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1sxl n SER 39 N -1.27 4.81 -1.04 1.61 2.88 -1.26 -4.94 113.62 114.41 1sxl n SER 39 Ca 0.00 -2.91 -0.14 0.00 -1.33 0.00 0.00 58.87 54.49 1sxl n SER 39 Cb 0.00 -1.74 -0.02 0.00 -0.75 0.00 0.00 64.21 61.71 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 6.20 0.03 -2.56 2.46 -0.00 -1.26 -4.79 119.36 119.44 1sxl n ILE 40 Ca 0.49 -0.01 -0.41 0.00 -0.00 0.00 0.00 62.75 62.83 1sxl n ILE 40 Cb 0.45 0.00 0.02 0.00 -0.00 0.00 0.00 39.64 40.11 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 0.32 5.81 -0.23 7.28 0.24 -1.26 -4.86 118.33 125.64 1sxl n VAL 41 Ca 0.05 -5.79 0.00 0.00 -2.04 0.00 0.00 64.34 56.56 1sxl n VAL 41 Cb 0.02 -1.51 0.00 0.00 -1.47 0.00 0.00 33.84 30.88 1sxl n VAL 41 CO 0.00 0.00 0.00 1.67 -2.14 0.00 0.00 176.83 176.36 1sxl n GLN 42 N -0.12 0.00 -5.00 7.34 7.27 -1.26 -3.39 117.38 122.22 1sxl n GLN 42 Ca 0.48 0.19 -0.32 0.00 0.07 0.00 0.00 57.00 57.41 1sxl n GLN 42 Cb 0.26 -0.04 -0.14 0.00 2.41 0.00 0.00 30.24 32.73 1sxl n GLN 42 CO 0.00 0.00 0.00 0.21 0.07 0.00 0.00 177.06 177.34 1sxl s LYS 43 N -2.67 2.55 0.30 3.69 2.20 -1.25 -2.64 119.74 121.91 1sxl s LYS 43 Ca 0.00 -0.76 -0.09 0.00 -0.36 0.00 0.00 55.97 54.75 1sxl s LYS 43 Cb 0.00 -2.32 0.01 0.00 -1.51 0.00 0.00 37.83 34.01 1sxl s LYS 43 CO 0.00 0.53 0.52 -0.80 -0.36 0.00 0.00 175.35 175.24 1sxl s ASN 44 N -0.50 0.29 -0.20 1.43 0.02 -0.81 -4.61 114.94 110.57 1sxl s ASN 44 Ca 0.06 -1.16 -0.04 0.00 -1.02 0.00 0.00 52.86 50.70 1sxl s ASN 44 Cb -0.12 0.65 0.09 0.00 0.02 0.00 0.00 41.25 41.90 1sxl s ASN 44 CO 0.01 -1.27 0.23 -0.63 0.02 0.00 0.00 177.10 175.46 1sxl s ILE 45 N -3.43 -0.35 -0.05 0.60 1.01 -1.26 -1.86 121.20 115.87 1sxl s ILE 45 Ca 0.24 -0.07 -0.04 0.00 0.00 0.00 0.00 60.65 60.79 1sxl s ILE 45 Cb -0.01 -0.66 -0.04 0.00 0.01 0.00 0.00 42.46 41.76 1sxl s ILE 45 CO 0.13 -0.17 0.15 -0.76 0.00 0.00 0.00 174.94 174.30 1sxl s LEU 46 N 2.35 4.31 0.00 2.97 1.43 -0.05 -4.97 118.68 124.71 1sxl s LEU 46 Ca 0.07 0.36 0.00 0.00 -1.03 0.00 0.00 54.13 53.53 1sxl s LEU 46 Cb -0.15 -2.39 0.00 0.00 0.03 0.00 0.00 46.19 43.68 1sxl s LEU 46 CO -0.12 0.31 0.00 -2.11 0.23 0.00 0.00 176.35 174.66 1sxl n ARG 47 N 1.32 0.00 -3.63 1.70 1.85 -1.26 -1.95 116.66 114.69 1sxl n ARG 47 Ca -0.14 0.00 -0.36 0.00 -1.00 0.00 0.00 57.85 56.35 1sxl n ARG 47 Cb 0.53 0.00 -0.07 0.00 -1.05 0.00 0.00 32.46 31.87 1sxl n ARG 47 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 1sxl s ASP 48 N 1.00 6.41 -0.06 2.89 1.11 -1.26 -4.42 116.67 122.34 1sxl s ASP 48 Ca 0.00 0.48 0.20 0.00 0.18 0.00 0.00 52.55 53.41 1sxl s ASP 48 Cb 0.00 -2.15 0.36 0.00 1.07 0.00 0.00 42.92 42.20 1sxl s ASP 48 CO 0.00 0.19 1.15 0.29 1.18 0.00 0.00 175.17 177.98 1sxl n LYS 49 N 3.14 0.34 0.09 8.23 5.02 -1.26 -4.90 118.16 128.83 1sxl n LYS 49 Ca -0.14 -2.01 0.00 0.00 -2.02 0.00 0.00 58.31 54.14 1sxl n LYS 49 Cb 0.52 -0.14 0.00 0.00 -0.02 0.00 0.00 35.03 35.40 1sxl n LYS 49 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 1sxl n LEU 50 N 0.13 -1.26 -1.26 -0.35 -0.00 -1.26 -5.00 117.00 108.00 1sxl n LEU 50 Ca -0.01 0.35 -0.02 0.00 -0.00 0.00 0.00 56.01 56.32 1sxl n LEU 50 Cb 1.00 1.38 -0.03 0.00 -0.00 0.00 0.00 43.42 45.77 1sxl n LEU 50 CO -0.05 -0.32 0.22 0.41 -0.00 0.00 0.00 177.39 177.65 1sxl n THR 51 N -2.94 0.01 -2.11 1.96 -1.04 -1.26 -5.01 114.28 103.90 1sxl n THR 51 Ca 0.00 -0.49 -0.04 0.00 -2.04 0.00 0.00 64.05 61.48 1sxl n THR 51 Cb 0.00 0.74 0.02 0.00 -1.82 0.00 0.00 70.33 69.27 1sxl n THR 51 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1sxl n GLY 52 N 0.21 0.30 4.03 3.41 0.00 -1.26 -5.06 105.19 106.81 1sxl n GLY 52 Ca -0.12 -0.12 -0.20 0.00 0.00 0.00 0.00 46.02 45.57 1sxl n GLY 52 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1sxl s ARG 53 N -3.68 2.26 -0.27 1.61 0.52 -1.26 -5.07 118.95 113.06 1sxl s ARG 53 Ca 0.09 -1.72 -0.07 0.00 -0.52 0.00 0.00 55.73 53.52 1sxl s ARG 53 Cb -0.01 -2.58 -0.00 0.00 0.52 0.00 0.00 34.95 32.87 1sxl s ARG 53 CO 0.21 -0.89 0.06 -1.25 0.02 0.00 0.00 175.30 173.45 1sxl s PRO 54 N -4.66 3.30 0.18 3.54 0.04 -1.26 -4.62 135.00 131.52 1sxl s PRO 54 Ca 0.60 -0.71 0.00 0.00 0.04 0.00 0.00 61.00 60.92 1sxl s PRO 54 Cb -0.05 -3.31 0.00 0.00 0.04 0.00 0.00 34.50 31.18 1sxl s PRO 54 CO 0.38 -0.34 0.00 -2.13 0.04 0.00 0.00 177.00 174.95 1sxl n ARG 55 N 4.88 0.00 -1.46 4.56 0.63 -1.26 -5.14 116.66 118.86 1sxl n ARG 55 Ca -0.15 0.00 -0.00 0.00 -0.92 0.00 0.00 57.85 56.77 1sxl n ARG 55 Cb 0.49 0.00 -0.00 0.00 0.45 0.00 0.00 32.46 33.40 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 1.06 -3.19 3.28 5.14 0.00 -1.26 -4.27 105.19 105.95 1sxl n GLY 56 Ca 0.00 -0.27 -0.10 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.07 0.08 0.33 1.61 -7.23 -0.82 -1.55 120.40 112.74 1sxl s VAL 57 Ca -0.02 -1.57 -0.15 0.00 -1.81 0.00 0.00 61.98 58.43 1sxl s VAL 57 Cb 0.00 -1.92 0.03 0.00 0.56 0.00 0.00 36.38 35.05 1sxl s VAL 57 CO 0.06 -0.35 0.68 0.00 -0.31 0.00 0.00 175.10 175.18 1sxl s ALA 58 N -4.00 -0.57 -0.24 1.32 0.00 0.30 -0.87 121.76 117.71 1sxl s ALA 58 Ca 0.20 -0.77 -0.04 0.00 0.00 0.00 0.00 51.96 51.34 1sxl s ALA 58 Cb 0.05 0.85 0.09 0.00 0.00 0.00 0.00 23.12 24.10 1sxl s ALA 58 CO 0.01 -0.95 0.14 0.12 0.00 0.00 0.00 175.76 175.08 1sxl s PHE 59 N -3.06 0.13 0.42 0.00 5.36 -0.78 -1.33 117.98 118.72 1sxl s PHE 59 Ca 0.18 -0.47 -0.22 0.00 -0.96 0.00 0.00 56.93 55.45 1sxl s PHE 59 Cb -0.04 -0.72 -0.10 0.00 -0.34 0.00 0.00 43.02 41.82 1sxl s PHE 59 CO 0.11 -0.69 0.98 0.08 -1.46 0.00 0.00 175.22 174.24 1sxl s VAL 60 N 2.17 4.13 -0.13 3.12 1.01 -0.70 -1.92 120.40 128.07 1sxl s VAL 60 Ca 0.06 1.44 -0.24 0.00 0.00 0.00 0.00 61.98 63.24 1sxl s VAL 60 Cb -0.16 -3.65 -0.02 0.00 0.00 0.00 0.00 36.38 32.55 1sxl s VAL 60 CO -0.23 -0.18 0.78 -0.13 0.00 0.00 0.00 175.10 175.34 1sxl s ARG 61 N -2.90 4.34 -0.15 2.72 0.52 -1.08 -2.64 118.95 119.76 1sxl s ARG 61 Ca 0.61 0.95 -0.29 0.00 -0.52 0.00 0.00 55.73 56.47 1sxl s ARG 61 Cb -0.14 -3.53 0.09 0.00 0.52 0.00 0.00 34.95 31.89 1sxl s ARG 61 CO 0.18 -0.18 0.82 0.71 0.02 0.00 0.00 175.30 176.85 1sxl s TYR 62 N 1.65 -0.57 0.00 -0.53 2.02 -1.26 -4.10 117.35 114.57 1sxl s TYR 62 Ca 0.38 1.11 0.00 0.00 -0.37 0.00 0.00 57.07 58.18 1sxl s TYR 62 Cb -0.17 0.39 0.00 0.00 -0.40 0.00 0.00 41.96 41.78 1sxl s TYR 62 CO 0.15 -0.45 0.00 -1.71 -1.57 0.00 0.00 175.55 171.97 1sxl n ASN 63 N 1.29 0.00 0.00 2.29 4.05 -1.25 0.19 115.26 121.83 1sxl n ASN 63 Ca -0.15 0.00 0.00 0.00 0.45 0.00 0.00 54.58 54.88 1sxl n ASN 63 Cb 0.57 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.58 1sxl n ASN 63 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 177.26 174.50 1sxl n LYS 64 N 0.00 0.00 -0.18 1.20 4.01 -1.26 -4.06 118.16 117.87 1sxl n LYS 64 Ca 0.00 0.00 0.06 0.00 -0.51 0.00 0.00 58.31 57.86 1sxl n LYS 64 Cb 0.00 0.00 0.12 0.00 -0.51 0.00 0.00 35.03 34.64 1sxl n LYS 64 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 1sxl n ARG 65 N 0.00 -0.04 0.05 1.97 3.00 -1.26 0.31 116.66 120.69 1sxl n ARG 65 Ca 0.00 0.76 -0.13 0.00 -0.01 0.00 0.00 57.85 58.47 1sxl n ARG 65 Cb 0.00 -1.18 -0.08 0.00 0.00 0.00 0.00 32.46 31.20 1sxl n ARG 65 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 1sxl h GLU 66 N 0.00 -0.09 -0.87 5.56 5.08 -2.01 -2.50 114.58 119.76 1sxl h GLU 66 Ca 0.28 0.01 0.22 0.00 -1.00 0.00 0.00 59.36 58.87 1sxl h GLU 66 Cb 0.53 0.02 -0.13 0.00 0.50 0.00 0.00 28.75 29.67 1sxl h GLU 66 CO -0.49 0.16 0.29 0.93 -1.00 0.00 0.00 179.01 178.90 1sxl h GLU 67 N -0.34 0.27 -0.82 2.33 4.39 0.47 1.03 114.58 121.92 1sxl h GLU 67 Ca -0.01 -0.02 0.01 0.00 0.34 0.00 0.00 59.36 59.68 1sxl h GLU 67 Cb 0.29 -0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 28.84 1sxl h GLU 67 CO 0.02 0.18 0.53 0.00 -1.16 0.00 0.00 179.01 178.58 1sxl h ALA 68 N 1.73 1.03 -1.10 3.43 0.00 -0.77 0.20 119.26 123.78 1sxl h ALA 68 Ca 0.54 -0.06 0.32 0.00 0.00 0.00 0.00 54.91 55.71 1sxl h ALA 68 Cb 1.05 -0.33 -0.12 0.00 0.00 0.00 0.00 17.79 18.39 1sxl h ALA 68 CO -0.59 0.45 0.69 0.37 0.00 0.00 0.00 179.25 180.17 1sxl h GLN 69 N 1.11 0.30 -0.06 0.00 -0.00 0.15 1.49 115.11 118.10 1sxl h GLN 69 Ca 0.30 -0.02 -0.00 0.00 -0.00 0.00 0.00 58.65 58.93 1sxl h GLN 69 Cb -0.12 -0.07 -0.00 0.00 0.00 0.00 0.00 27.48 27.29 1sxl h GLN 69 CO -0.06 0.20 0.03 0.93 0.00 0.00 0.00 178.83 179.92 1sxl h GLU 70 N 0.31 0.08 0.00 1.69 3.07 -0.05 0.07 114.58 119.75 1sxl h GLU 70 Ca 0.69 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 59.54 1sxl h GLU 70 Cb 1.80 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 29.70 1sxl h GLU 70 CO -0.42 0.20 0.00 0.00 -1.40 0.00 0.00 179.01 177.39 1sxl n ALA 71 N -2.18 1.20 -0.01 3.43 0.00 0.48 0.50 120.51 123.93 1sxl n ALA 71 Ca -0.06 0.06 -0.00 0.00 0.00 0.00 0.00 53.44 53.43 1sxl n ALA 71 Cb 0.10 -1.18 -0.00 0.00 0.00 0.00 0.00 19.45 18.37 1sxl n ALA 71 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1sxl h ILE 72 N 0.00 0.00 0.00 0.00 1.08 0.12 0.20 117.51 118.91 1sxl h ILE 72 Ca 0.00 -0.09 0.00 0.00 -0.39 0.00 0.00 64.86 64.38 1sxl h ILE 72 Cb 0.08 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 33.83 1sxl h ILE 72 CO 0.00 0.00 0.00 -0.24 -0.69 0.00 0.00 178.15 177.22 1sxl n SER 73 N -2.34 0.00 0.01 1.72 2.88 -0.72 -1.87 113.62 113.30 1sxl n SER 73 Ca -0.00 -1.02 0.00 0.00 -1.33 0.00 0.00 58.87 56.51 1sxl n SER 73 Cb 0.01 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.47 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 -0.81 3.00 0.09 -1.46 0.00 0.18 -4.83 120.51 116.68 1sxl n ALA 74 Ca 0.11 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.39 1sxl n ALA 74 Cb 0.05 0.35 -0.14 0.00 0.00 0.00 0.00 19.45 19.71 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 0.43 -9.64 0.00 4.07 -0.94 -3.43 115.31 105.81 1sxl h LEU 75 Ca 0.00 -0.49 -0.58 0.00 0.08 0.00 0.00 57.88 56.88 1sxl h LEU 75 Cb 0.62 -0.14 0.11 0.00 1.08 0.00 0.00 40.66 42.33 1sxl h LEU 75 CO 0.00 1.39 0.42 -0.46 -1.08 0.00 0.00 178.44 178.71 1sxl n ASN 76 N -3.52 2.35 -3.74 -0.43 6.94 0.52 -1.99 115.26 115.40 1sxl n ASN 76 Ca -0.11 1.19 -0.22 0.00 -0.02 0.00 0.00 54.58 55.42 1sxl n ASN 76 Cb 1.03 -1.42 0.02 0.00 -2.36 0.00 0.00 39.78 37.06 1sxl n ASN 76 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 1sxl n ASN 77 N 1.12 -1.24 -4.47 0.53 3.02 -1.04 -4.84 115.26 108.33 1sxl n ASN 77 Ca 0.07 -0.86 -0.44 0.00 -0.03 0.00 0.00 54.58 53.33 1sxl n ASN 77 Cb 0.34 -3.88 -0.01 0.00 -0.61 0.00 0.00 39.78 35.63 1sxl n ASN 77 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1sxl s VAL 78 N -3.71 4.85 0.00 2.41 1.01 -0.84 -4.81 120.40 119.31 1sxl s VAL 78 Ca 0.03 -2.27 0.00 0.00 0.00 0.00 0.00 61.98 59.74 1sxl s VAL 78 Cb -0.01 -4.91 0.00 0.00 0.00 0.00 0.00 36.38 31.47 1sxl s VAL 78 CO 0.83 -1.64 0.00 -0.38 0.00 0.00 0.00 175.10 173.91 1sxl n ILE 79 N 5.04 0.00 -0.32 2.22 -0.00 -1.26 -4.91 119.36 120.13 1sxl n ILE 79 Ca 0.34 0.00 -0.09 0.00 -0.00 0.00 0.00 62.75 63.01 1sxl n ILE 79 Cb 0.45 0.00 0.16 0.00 -0.00 0.00 0.00 39.64 40.25 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 2.33 -3.11 0.38 -0.04 -1.26 -4.96 135.00 128.33 1sxl n PRO 80 Ca 0.00 -1.91 -0.00 0.00 -0.04 0.00 0.00 63.50 61.55 1sxl n PRO 80 Cb 0.00 -1.82 -0.00 0.00 -0.04 0.00 0.00 33.50 31.64 1sxl n PRO 80 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1sxl n GLU 81 N -0.23 -0.87 0.00 0.54 0.28 -1.26 -4.88 120.64 114.22 1sxl n GLU 81 Ca 0.31 1.09 0.00 0.00 -0.16 0.00 0.00 57.16 58.40 1sxl n GLU 81 Cb 1.11 -1.26 0.00 0.00 1.43 0.00 0.00 31.44 32.72 1sxl n GLU 81 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1sxl n GLY 82 N 1.68 0.00 0.00 -1.84 0.00 -1.26 -5.12 105.19 98.64 1sxl n GLY 82 Ca -0.01 0.00 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 -1.07 3.19 -0.02 0.00 -1.26 -4.98 105.19 101.04 1sxl n GLY 83 Ca 0.00 -2.14 0.00 0.00 0.00 0.00 0.00 46.02 43.88 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 0.00 -1.60 1.61 2.88 -1.26 -4.75 113.62 110.49 1sxl n SER 84 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1sxl n SER 84 Cb 0.00 -0.29 0.00 0.00 -0.75 0.00 0.00 64.21 63.17 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 -2.00 -4.39 -3.93 -1.46 6.02 -1.26 -4.59 117.38 105.77 1sxl n GLN 85 Ca 0.00 3.34 -0.32 0.00 -0.01 0.00 0.00 57.00 60.01 1sxl n GLN 85 Cb 0.00 -3.99 -0.05 0.00 1.02 0.00 0.00 30.24 27.22 1sxl n GLN 85 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1sxl s PRO 86 N -4.67 3.38 -0.07 -1.09 0.04 -1.26 -4.88 135.00 126.44 1sxl s PRO 86 Ca 0.00 -0.39 -0.30 0.00 0.04 0.00 0.00 61.00 60.35 1sxl s PRO 86 Cb 0.00 -3.04 -0.04 0.00 0.04 0.00 0.00 34.50 31.46 1sxl s PRO 86 CO 0.00 0.65 1.45 -0.48 0.04 0.00 0.00 177.00 178.66 1sxl s LEU 87 N -2.13 4.27 -0.63 -3.56 2.34 -1.26 -4.68 118.68 113.04 1sxl s LEU 87 Ca 0.30 2.02 -0.28 0.00 0.06 0.00 0.00 54.13 56.23 1sxl s LEU 87 Cb -0.13 -3.54 0.03 0.00 -0.56 0.00 0.00 46.19 41.99 1sxl s LEU 87 CO 0.22 -0.81 1.25 -0.55 -1.06 0.00 0.00 176.35 175.39 1sxl s SER 88 N 2.47 6.32 0.00 1.48 0.15 -1.05 -2.49 113.70 120.58 1sxl s SER 88 Ca 0.64 -0.04 0.00 0.00 0.70 0.00 0.00 55.95 57.26 1sxl s SER 88 Cb -0.29 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.47 1sxl s SER 88 CO 0.24 -1.62 0.00 1.33 1.20 0.00 0.00 173.24 174.39 1sxl n VAL 89 N 6.61 0.00 -0.89 4.45 0.24 -1.26 -2.31 118.33 125.17 1sxl n VAL 89 Ca 0.07 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.37 1sxl n VAL 89 Cb 0.49 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.86 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 0.00 0.00 -1.40 7.34 0.00 -1.26 -4.31 116.66 117.03 1sxl n ARG 90 Ca 0.00 0.38 -0.46 0.00 -0.00 0.00 0.00 57.85 57.77 1sxl n ARG 90 Cb 0.00 -0.51 -0.02 0.00 0.00 0.00 0.00 32.46 31.93 1sxl n ARG 90 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 1sxl n LEU 91 N 0.00 -1.18 0.00 6.15 0.00 -1.06 -2.17 117.00 118.73 1sxl n LEU 91 Ca 0.00 1.07 0.00 0.00 0.00 0.00 0.00 56.01 57.08 1sxl n LEU 91 Cb 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 43.42 42.44 1sxl n LEU 91 CO 0.00 -3.05 0.00 0.00 0.00 0.00 0.00 177.39 174.34 1sxl n ALA 92 N -0.20 0.00 -2.60 1.96 0.00 -1.26 -4.66 120.51 113.75 1sxl n ALA 92 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.20 1sxl n ALA 92 Cb 0.29 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.65 1sxl n ALA 92 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1sxl s GLU 93 N 0.04 3.96 0.00 0.00 2.12 -1.26 -4.72 118.70 118.83 1sxl s GLU 93 Ca 0.00 0.00 0.00 0.00 0.36 0.00 0.00 54.97 55.33 1sxl s GLU 93 Cb 0.00 -3.68 0.00 0.00 0.26 0.00 0.00 34.13 30.71 1sxl s GLU 93 CO 0.00 -0.32 0.00 0.39 -0.54 0.00 0.00 175.26 174.79 1sxl n GLU 94 N 5.37 0.00 0.00 4.30 1.02 -1.26 -5.08 120.64 124.99 1sxl n GLU 94 Ca -0.08 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.06 1sxl n GLU 94 Cb 0.50 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.92 1sxl n GLU 94 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 1sxl n HIS 95 N 0.00 0.00 0.00 -0.32 -0.00 -1.26 -5.07 115.22 108.57 1sxl n HIS 95 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 1sxl n HIS 95 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 1sxl n HIS 95 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1sxl n GLY 96 N 0.00 0.68 0.21 1.57 0.00 -1.26 -4.79 105.19 101.60 1sxl n GLY 96 Ca 0.00 -0.69 0.15 0.00 0.00 0.00 0.00 46.02 45.49 1sxl n GLY 96 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49