#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 3.97 -0.06 7.83 1.04 -1.26 -5.04 113.70 120.18 1sxl s SER 2 Ca 0.00 -0.73 0.16 0.00 0.48 0.00 0.00 55.95 55.86 1sxl s SER 2 Cb 0.00 -0.55 0.32 0.00 0.10 0.00 0.00 66.02 65.90 1sxl s SER 2 CO 0.00 0.09 1.14 0.00 0.98 0.00 0.00 173.24 175.45 1sxl n TYR 3 N -0.11 0.00 -3.74 5.02 9.36 -1.26 -5.08 117.16 121.36 1sxl n TYR 3 Ca -0.10 -0.69 -0.05 0.00 3.32 0.00 0.00 57.90 60.38 1sxl n TYR 3 Cb 0.57 -0.15 -0.02 0.00 -0.63 0.00 0.00 39.34 39.11 1sxl n TYR 3 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1sxl s ALA 4 N -1.09 -1.56 0.48 2.98 0.00 -1.26 -5.18 121.76 116.13 1sxl s ALA 4 Ca 0.28 0.12 0.04 0.00 0.00 0.00 0.00 51.96 52.40 1sxl s ALA 4 Cb 0.29 0.68 -0.03 0.00 0.00 0.00 0.00 23.12 24.07 1sxl s ALA 4 CO -0.09 -0.99 0.08 0.50 0.00 0.00 0.00 175.76 175.26 1sxl s ARG 5 N -3.45 2.15 0.00 0.00 6.06 -1.26 -5.13 118.95 117.32 1sxl s ARG 5 Ca 0.11 -2.21 0.00 0.00 -2.50 0.00 0.00 55.73 51.13 1sxl s ARG 5 Cb -0.02 -1.69 0.00 0.00 0.06 0.00 0.00 34.95 33.29 1sxl s ARG 5 CO 0.02 -0.29 0.00 -0.35 -2.50 0.00 0.00 175.30 172.17 1sxl n PRO 6 N -1.26 0.02 0.00 5.12 -0.04 -1.26 -5.02 135.00 132.55 1sxl n PRO 6 Ca -0.11 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.35 1sxl n PRO 6 Cb 0.66 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.12 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 1.35 4.82 0.00 0.55 0.00 -0.96 -4.80 105.19 106.15 1sxl n GLY 7 Ca 0.00 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 44.76 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 2.02 0.81 -0.02 0.00 -1.25 -3.82 105.19 102.92 1sxl n GLY 8 Ca 0.00 -0.54 -0.01 0.00 0.00 0.00 0.00 46.02 45.47 1sxl n GLY 8 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1sxl n GLU 9 N 0.00 0.21 -1.45 1.61 1.02 -0.91 -4.76 120.64 116.36 1sxl n GLU 9 Ca 0.00 -0.42 0.00 0.00 -0.02 0.00 0.00 57.16 56.72 1sxl n GLU 9 Cb 0.00 0.54 0.00 0.00 -0.02 0.00 0.00 31.44 31.96 1sxl n GLU 9 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1sxl n SER 10 N -0.99 -7.83 -3.45 1.62 2.88 -1.26 -3.76 113.62 100.82 1sxl n SER 10 Ca -0.01 1.08 -0.21 0.00 -1.33 0.00 0.00 58.87 58.39 1sxl n SER 10 Cb 0.13 -3.91 0.00 0.00 -0.75 0.00 0.00 64.21 59.68 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 -0.13 -2.59 -3.21 2.46 0.00 -1.26 -4.32 119.36 110.31 1sxl n ILE 11 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 62.75 62.80 1sxl n ILE 11 Cb 0.00 -2.31 -0.01 0.00 0.00 0.00 0.00 39.64 37.31 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 -1.91 -0.73 -3.15 9.51 4.01 -1.26 -4.82 118.16 119.81 1sxl n LYS 12 Ca -0.23 0.48 -0.06 0.00 -0.51 0.00 0.00 58.31 57.98 1sxl n LYS 12 Cb 0.55 -0.89 -0.03 0.00 -0.51 0.00 0.00 35.03 34.16 1sxl n LYS 12 CO 0.00 0.00 0.00 0.16 -1.11 0.00 0.00 177.40 176.45 1sxl s ASP 13 N -4.51 -0.70 -0.13 4.39 -4.77 -1.26 -4.17 116.67 105.51 1sxl s ASP 13 Ca 0.00 -1.33 0.05 0.00 -3.30 0.00 0.00 52.55 47.97 1sxl s ASP 13 Cb 0.00 1.47 0.16 0.00 -1.09 0.00 0.00 42.92 43.47 1sxl s ASP 13 CO 0.00 -0.16 1.16 0.41 0.70 0.00 0.00 175.17 177.28 1sxl n THR 14 N 3.94 0.00 -0.99 2.11 -1.04 -1.18 -4.36 114.28 112.75 1sxl n THR 14 Ca 0.14 -0.40 -0.05 0.00 -2.04 0.00 0.00 64.05 61.70 1sxl n THR 14 Cb 0.53 0.68 0.04 0.00 -1.82 0.00 0.00 70.33 69.76 1sxl n THR 14 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 1sxl n ASN 15 N -0.62 -0.35 -3.64 8.00 6.94 0.43 -3.38 115.26 122.64 1sxl n ASN 15 Ca -0.22 -0.94 -0.05 0.00 -0.02 0.00 0.00 54.58 53.35 1sxl n ASN 15 Cb 0.75 -0.18 -0.07 0.00 -2.36 0.00 0.00 39.78 37.92 1sxl n ASN 15 CO 0.00 0.00 0.00 -1.48 -1.03 0.00 0.00 177.26 174.75 1sxl s LEU 16 N 0.00 -0.91 0.08 -4.53 2.34 -1.10 -3.29 118.68 111.27 1sxl s LEU 16 Ca 0.13 1.27 -0.28 0.00 0.06 0.00 0.00 54.13 55.31 1sxl s LEU 16 Cb -0.01 1.84 -0.05 0.00 -0.56 0.00 0.00 46.19 47.41 1sxl s LEU 16 CO 0.10 -0.23 0.90 -0.72 -1.06 0.00 0.00 176.35 175.34 1sxl s TYR 17 N 2.76 3.77 0.09 3.48 -0.85 -0.38 -1.78 117.35 124.44 1sxl s TYR 17 Ca -0.03 1.68 0.04 0.00 -0.52 0.00 0.00 57.07 58.23 1sxl s TYR 17 Cb -0.12 -2.98 -0.04 0.00 0.38 0.00 0.00 41.96 39.19 1sxl s TYR 17 CO -0.16 0.20 0.07 0.14 -1.52 0.00 0.00 175.55 174.28 1sxl s VAL 18 N 0.09 4.41 0.40 -3.49 -7.23 -0.85 -3.80 120.40 109.94 1sxl s VAL 18 Ca 0.45 -0.84 0.08 0.00 -1.81 0.00 0.00 61.98 59.85 1sxl s VAL 18 Cb -0.22 -3.13 -0.06 0.00 0.56 0.00 0.00 36.38 33.53 1sxl s VAL 18 CO 0.27 0.11 0.12 0.28 -0.31 0.00 0.00 175.10 175.57 1sxl s THR 19 N -1.40 2.32 -0.61 5.32 -1.32 -1.08 -1.27 115.64 117.61 1sxl s THR 19 Ca 0.29 -1.80 -0.04 0.00 -1.21 0.00 0.00 61.69 58.92 1sxl s THR 19 Cb -0.12 -2.96 0.01 0.00 -1.51 0.00 0.00 72.50 67.91 1sxl s THR 19 CO 0.21 -0.04 0.63 0.59 -2.21 0.00 0.00 174.62 173.80 1sxl n ASN 20 N -1.13 -7.49 -3.73 8.08 3.02 -1.24 -2.15 115.26 110.62 1sxl n ASN 20 Ca -0.02 0.10 -0.25 0.00 -0.03 0.00 0.00 54.58 54.38 1sxl n ASN 20 Cb 0.65 -5.07 -0.17 0.00 -0.61 0.00 0.00 39.78 34.57 1sxl n ASN 20 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1sxl s LEU 21 N -3.47 0.71 0.00 3.41 2.96 -0.55 -4.19 118.68 117.55 1sxl s LEU 21 Ca 0.07 -0.39 -0.03 0.00 -0.22 0.00 0.00 54.13 53.56 1sxl s LEU 21 Cb -0.02 -0.44 0.05 0.00 0.50 0.00 0.00 46.19 46.28 1sxl s LEU 21 CO 0.71 -0.26 0.12 -0.81 -1.32 0.00 0.00 176.35 174.79 1sxl n PRO 22 N 5.15 -2.08 -0.27 0.98 -0.04 -1.26 -4.55 135.00 132.93 1sxl n PRO 22 Ca -0.07 -0.20 0.08 0.00 -0.04 0.00 0.00 63.50 63.26 1sxl n PRO 22 Cb 0.49 -0.24 0.19 0.00 -0.04 0.00 0.00 33.50 33.90 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 -2.34 2.52 -0.05 0.54 1.74 -1.26 -4.67 116.66 113.13 1sxl n ARG 23 Ca 0.02 -2.52 -0.05 0.00 -0.77 0.00 0.00 57.85 54.53 1sxl n ARG 23 Cb 0.08 -1.59 -0.04 0.00 -1.02 0.00 0.00 32.46 29.89 1sxl n ARG 23 CO 0.00 0.00 0.00 1.15 -1.52 0.00 0.00 177.63 177.26 1sxl h THR 24 N 1.24 0.57 -4.20 0.55 2.02 -2.02 -3.46 112.91 107.60 1sxl h THR 24 Ca 0.00 -1.41 -0.48 0.00 0.77 0.00 0.00 66.41 65.30 1sxl h THR 24 Cb 1.13 1.06 0.08 0.00 -1.74 0.00 0.00 68.15 68.68 1sxl h THR 24 CO 0.11 0.19 0.33 -0.51 0.37 0.00 0.00 175.52 176.01 1sxl s ILE 25 N -1.81 2.88 0.06 3.11 2.07 -1.26 -5.08 121.20 121.17 1sxl s ILE 25 Ca -0.06 0.10 0.07 0.00 -1.41 0.00 0.00 60.65 59.35 1sxl s ILE 25 Cb -0.01 -3.25 -0.03 0.00 0.13 0.00 0.00 42.46 39.30 1sxl s ILE 25 CO 0.22 -0.30 -0.18 0.42 -1.91 0.00 0.00 174.94 173.19 1sxl s THR 26 N -3.32 2.81 0.19 4.00 -4.23 -1.26 -5.01 115.64 108.82 1sxl s THR 26 Ca 0.59 -1.25 -0.13 0.00 -1.18 0.00 0.00 61.69 59.72 1sxl s THR 26 Cb -0.11 -2.21 0.09 0.00 1.34 0.00 0.00 72.50 71.62 1sxl s THR 26 CO 0.48 0.29 1.84 -2.24 -0.54 0.00 0.00 174.62 174.45 1sxl h ASP 27 N 4.37 0.64 -0.08 3.99 3.04 -1.92 0.49 116.42 126.95 1sxl h ASP 27 Ca -0.48 -0.01 0.02 0.00 -3.24 0.00 0.00 57.03 53.32 1sxl h ASP 27 Cb 1.16 -0.15 -0.00 0.00 -1.04 0.00 0.00 39.33 39.30 1sxl h ASP 27 CO 0.47 0.45 0.09 -0.78 -2.04 0.00 0.00 179.24 177.44 1sxl h ASP 28 N 0.76 0.00 -0.13 4.15 3.58 -1.96 -0.71 116.42 122.11 1sxl h ASP 28 Ca 0.22 0.00 -0.22 0.00 0.42 0.00 0.00 57.03 57.45 1sxl h ASP 28 Cb -0.04 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.02 1sxl h ASP 28 CO -0.07 0.00 -0.78 1.56 -2.88 0.00 0.00 179.24 177.08 1sxl h GLN 29 N 0.00 0.75 -0.80 0.28 4.20 -1.31 -3.26 115.11 114.97 1sxl h GLN 29 Ca 0.04 -0.64 0.13 0.00 0.06 0.00 0.00 58.65 58.24 1sxl h GLN 29 Cb 0.22 0.14 -0.14 0.00 0.30 0.00 0.00 27.48 28.00 1sxl h GLN 29 CO -0.00 1.24 -0.37 -0.07 -0.67 0.00 0.00 178.83 178.97 1sxl h LEU 30 N 0.47 -1.32 -0.93 1.46 4.07 -0.71 0.32 115.31 118.67 1sxl h LEU 30 Ca -0.06 0.27 0.20 0.00 0.08 0.00 0.00 57.88 58.37 1sxl h LEU 30 Cb 1.41 0.67 -0.18 0.00 1.08 0.00 0.00 40.66 43.65 1sxl h LEU 30 CO 0.16 -0.30 -0.17 -0.78 -1.08 0.00 0.00 178.44 176.27 1sxl h ASP 31 N -0.08 -0.76 -0.59 -0.43 3.58 -1.62 0.54 116.42 117.06 1sxl h ASP 31 Ca 0.29 0.27 -0.01 0.00 0.42 0.00 0.00 57.03 58.01 1sxl h ASP 31 Cb 0.57 0.55 -0.03 0.00 1.72 0.00 0.00 39.33 42.14 1sxl h ASP 31 CO -0.84 -0.31 0.34 0.74 -2.88 0.00 0.00 179.24 176.29 1sxl h THR 32 N 0.01 1.18 -0.14 2.25 2.02 -0.54 0.42 112.91 118.12 1sxl h THR 32 Ca 0.47 -0.44 0.04 0.00 0.77 0.00 0.00 66.41 67.25 1sxl h THR 32 Cb 0.79 0.40 -0.01 0.00 -1.74 0.00 0.00 68.15 67.59 1sxl h THR 32 CO -0.94 0.20 0.18 -0.29 0.37 0.00 0.00 175.52 175.04 1sxl h ILE 33 N 0.80 0.41 0.00 3.11 6.09 0.57 -3.29 117.51 125.20 1sxl h ILE 33 Ca 0.21 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.70 1sxl h ILE 33 Cb 0.01 0.85 0.00 0.00 0.47 0.00 0.00 36.82 38.16 1sxl h ILE 33 CO -0.04 0.00 0.00 0.49 -3.07 0.00 0.00 178.15 175.53 1sxl n PHE 34 N -3.70 0.00 0.00 2.19 3.72 -0.58 -5.09 117.46 114.00 1sxl n PHE 34 Ca 0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.41 1sxl n PHE 34 Cb 0.29 -0.04 0.00 0.00 -0.94 0.00 0.00 39.48 38.79 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 1.85 0.92 0.00 1.37 0.00 0.04 -5.03 105.19 104.33 1sxl n GLY 35 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.81 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 0.00 0.00 0.00 1.61 0.00 -1.26 -4.85 118.16 113.66 1sxl n LYS 36 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.31 1sxl n LYS 36 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 1sxl n LYS 36 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1sxl n TYR 37 N 0.00 0.00 0.00 5.64 4.02 -1.26 -5.02 117.16 120.54 1sxl n TYR 37 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 1sxl n TYR 37 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.32 1sxl n TYR 37 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1sxl n GLY 38 N 2.67 -0.07 2.48 2.72 0.00 -1.26 -5.00 105.19 106.73 1sxl n GLY 38 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 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 0.00 -1.30 -0.88 1.61 2.88 -1.26 -5.11 113.62 109.57 1sxl n SER 39 Ca 0.00 -3.10 -0.12 0.00 -1.33 0.00 0.00 58.87 54.32 1sxl n SER 39 Cb 0.00 0.67 -0.02 0.00 -0.75 0.00 0.00 64.21 64.11 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 1.25 0.00 -1.43 2.46 -0.00 -1.26 -4.73 119.36 115.64 1sxl n ILE 40 Ca 0.15 0.00 -0.26 0.00 -0.00 0.00 0.00 62.75 62.64 1sxl n ILE 40 Cb 0.61 -0.07 -0.06 0.00 -0.00 0.00 0.00 39.64 40.12 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 0.63 3.27 -0.42 7.28 0.24 -1.26 -4.82 118.33 123.25 1sxl n VAL 41 Ca 0.05 -2.83 0.00 0.00 -2.04 0.00 0.00 64.34 59.52 1sxl n VAL 41 Cb -0.00 -1.60 0.00 0.00 -1.47 0.00 0.00 33.84 30.76 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 0.93 0.00 -4.95 7.34 -0.06 -1.26 -4.59 117.38 114.79 1sxl n GLN 42 Ca 0.48 0.42 -0.28 0.00 -2.00 0.00 0.00 57.00 55.62 1sxl n GLN 42 Cb 0.57 0.00 -0.16 0.00 -4.06 0.00 0.00 30.24 26.59 1sxl n GLN 42 CO 0.00 0.00 0.00 -1.59 -0.20 0.00 0.00 177.06 175.27 1sxl s LYS 43 N -3.03 2.24 -0.04 3.69 -2.85 -1.26 -3.52 119.74 114.97 1sxl s LYS 43 Ca 0.00 -0.68 -0.10 0.00 -1.00 0.00 0.00 55.97 54.19 1sxl s LYS 43 Cb 0.00 -1.82 0.02 0.00 -2.06 0.00 0.00 37.83 33.97 1sxl s LYS 43 CO 0.00 0.20 0.22 1.21 0.10 0.00 0.00 175.35 177.08 1sxl s ASN 44 N 0.24 -0.14 -0.20 0.03 2.47 0.63 -4.58 114.94 113.39 1sxl s ASN 44 Ca -0.11 0.14 -0.18 0.00 0.42 0.00 0.00 52.86 53.14 1sxl s ASN 44 Cb -0.15 0.35 -0.03 0.00 -1.45 0.00 0.00 41.25 39.97 1sxl s ASN 44 CO 0.05 -0.28 0.50 -0.51 -3.72 0.00 0.00 177.10 173.14 1sxl s ILE 45 N -0.77 5.11 -0.10 -5.21 2.07 -1.26 -0.17 121.20 120.87 1sxl s ILE 45 Ca -0.09 0.92 -0.02 0.00 -1.41 0.00 0.00 60.65 60.05 1sxl s ILE 45 Cb -0.05 -3.83 -0.03 0.00 0.13 0.00 0.00 42.46 38.68 1sxl s ILE 45 CO 0.02 0.18 0.00 -0.76 -1.91 0.00 0.00 174.94 172.47 1sxl s LEU 46 N 1.64 3.56 0.05 8.50 2.01 -0.17 -4.95 118.68 129.32 1sxl s LEU 46 Ca 0.23 0.12 -0.02 0.00 0.01 0.00 0.00 54.13 54.47 1sxl s LEU 46 Cb -0.15 -1.82 -0.01 0.00 0.01 0.00 0.00 46.19 44.22 1sxl s LEU 46 CO 0.09 0.35 -0.04 0.54 1.01 0.00 0.00 176.35 178.30 1sxl n ARG 47 N 2.34 0.06 0.00 1.70 1.74 -1.26 -1.36 116.66 119.88 1sxl n ARG 47 Ca -0.18 0.02 0.00 0.00 -0.77 0.00 0.00 57.85 56.92 1sxl n ARG 47 Cb 0.53 -0.54 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 1sxl n ARG 47 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1sxl n ASP 48 N -3.45 0.00 0.00 0.55 2.03 -1.26 -4.54 116.55 109.88 1sxl n ASP 48 Ca -0.02 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.29 1sxl n ASP 48 Cb 0.06 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.46 1sxl n ASP 48 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1sxl n LYS 49 N -0.37 1.86 -0.13 -0.67 3.00 -1.26 -4.78 118.16 115.80 1sxl n LYS 49 Ca 0.00 0.00 -0.25 0.00 -0.00 0.00 0.00 58.31 58.06 1sxl n LYS 49 Cb 0.00 -0.86 -0.11 0.00 0.00 0.00 0.00 35.03 34.06 1sxl n LYS 49 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1sxl n LEU 50 N -1.32 2.29 0.00 3.14 4.77 -1.26 -5.05 117.00 119.57 1sxl n LEU 50 Ca 0.00 0.20 0.00 0.00 -0.03 0.00 0.00 56.01 56.18 1sxl n LEU 50 Cb 0.00 -0.88 0.00 0.00 -2.33 0.00 0.00 43.42 40.21 1sxl n LEU 50 CO 0.00 0.68 0.00 0.41 -1.33 0.00 0.00 177.39 177.15 1sxl n THR 51 N -3.93 0.00 -3.41 -5.08 -1.04 -1.26 -5.11 114.28 94.45 1sxl n THR 51 Ca -0.49 0.00 -0.27 0.00 -2.04 0.00 0.00 64.05 61.25 1sxl n THR 51 Cb 0.91 0.00 -0.10 0.00 -1.82 0.00 0.00 70.33 69.32 1sxl n THR 51 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 1sxl s GLY 52 N 0.00 1.24 0.85 3.41 0.00 -1.26 -4.79 107.32 106.76 1sxl s GLY 52 Ca 0.00 -2.47 -0.12 0.00 0.00 0.00 0.00 44.72 42.13 1sxl s GLY 52 CO 0.00 2.09 1.11 0.50 0.00 0.00 0.00 173.10 176.80 1sxl s ARG 53 N 0.06 1.68 0.00 2.90 0.52 -1.26 -4.98 118.95 117.87 1sxl s ARG 53 Ca 0.32 0.55 0.08 0.00 -0.52 0.00 0.00 55.73 56.16 1sxl s ARG 53 Cb 0.02 -1.88 0.04 0.00 0.52 0.00 0.00 34.95 33.65 1sxl s ARG 53 CO -0.19 -1.88 0.68 -0.35 0.02 0.00 0.00 175.30 173.58 1sxl n PRO 54 N -3.59 1.02 0.00 3.54 -0.04 -1.26 -4.75 135.00 129.92 1sxl n PRO 54 Ca 0.07 -0.81 0.00 0.00 -0.04 0.00 0.00 63.50 62.72 1sxl n PRO 54 Cb 0.57 -1.10 0.00 0.00 -0.04 0.00 0.00 33.50 32.93 1sxl n PRO 54 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1sxl n ARG 55 N 0.15 0.00 -0.29 0.54 1.74 -1.26 -5.03 116.66 112.51 1sxl n ARG 55 Ca 0.04 0.43 0.00 0.00 -0.77 0.00 0.00 57.85 57.56 1sxl n ARG 55 Cb 0.19 -1.34 0.00 0.00 -1.02 0.00 0.00 32.46 30.30 1sxl n ARG 55 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1sxl n GLY 56 N -0.35 -0.69 4.00 -0.13 0.00 -1.26 -4.33 105.19 102.43 1sxl n GLY 56 Ca 0.00 -0.66 -0.19 0.00 0.00 0.00 0.00 46.02 45.17 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 2.69 0.33 1.61 -7.23 -0.47 -1.49 120.40 115.85 1sxl s VAL 57 Ca 0.00 -0.84 -0.01 0.00 -1.81 0.00 0.00 61.98 59.32 1sxl s VAL 57 Cb 0.00 -2.84 0.00 0.00 0.56 0.00 0.00 36.38 34.10 1sxl s VAL 57 CO 0.00 0.00 0.44 0.00 -0.31 0.00 0.00 175.10 175.23 1sxl n ALA 58 N -2.17 -0.21 -3.52 1.32 0.00 -0.39 -1.00 120.51 114.54 1sxl n ALA 58 Ca 0.10 -1.57 -0.08 0.00 0.00 0.00 0.00 53.44 51.88 1sxl n ALA 58 Cb 0.60 1.27 -0.09 0.00 0.00 0.00 0.00 19.45 21.23 1sxl n ALA 58 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1sxl s PHE 59 N -3.05 -0.84 0.13 0.00 0.40 0.76 -2.01 117.98 113.37 1sxl s PHE 59 Ca 0.29 1.26 0.02 0.00 -0.60 0.00 0.00 56.93 57.90 1sxl s PHE 59 Cb -0.01 0.20 -0.04 0.00 0.51 0.00 0.00 43.02 43.69 1sxl s PHE 59 CO 0.21 -0.59 0.27 0.08 0.70 0.00 0.00 175.22 175.88 1sxl s VAL 60 N 2.60 5.33 -0.12 -0.44 1.01 -0.73 -0.27 120.40 127.78 1sxl s VAL 60 Ca 0.05 -0.63 -0.14 0.00 0.00 0.00 0.00 61.98 61.26 1sxl s VAL 60 Cb -0.13 -3.71 -0.05 0.00 0.00 0.00 0.00 36.38 32.49 1sxl s VAL 60 CO -0.14 -0.04 0.33 -0.13 0.00 0.00 0.00 175.10 175.12 1sxl s ARG 61 N -3.07 4.15 -0.15 2.72 0.52 -1.23 -2.71 118.95 119.19 1sxl s ARG 61 Ca 0.35 0.20 -0.29 0.00 -0.52 0.00 0.00 55.73 55.46 1sxl s ARG 61 Cb -0.11 -3.37 0.09 0.00 0.52 0.00 0.00 34.95 32.07 1sxl s ARG 61 CO 0.28 0.34 0.81 0.71 0.02 0.00 0.00 175.30 177.47 1sxl s TYR 62 N 0.12 -0.58 0.00 -0.53 1.51 -1.26 -4.16 117.35 112.44 1sxl s TYR 62 Ca 0.19 1.15 0.00 0.00 -1.01 0.00 0.00 57.07 57.40 1sxl s TYR 62 Cb -0.14 0.39 0.00 0.00 -0.11 0.00 0.00 41.96 42.10 1sxl s TYR 62 CO 0.07 -0.45 0.00 0.27 -1.11 0.00 0.00 175.55 174.32 1sxl n ASN 63 N 1.34 0.00 0.00 2.29 0.23 -1.22 0.16 115.26 118.07 1sxl n ASN 63 Ca -0.15 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 53.90 1sxl n ASN 63 Cb 0.57 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.27 1sxl n ASN 63 CO 0.00 0.00 0.00 1.17 -0.93 0.00 0.00 177.26 177.50 1sxl n LYS 64 N 0.00 0.00 -0.19 -3.83 4.81 -1.26 -2.47 118.16 115.22 1sxl n LYS 64 Ca 0.00 0.00 -0.04 0.00 -0.87 0.00 0.00 58.31 57.40 1sxl n LYS 64 Cb 0.00 0.00 -0.04 0.00 0.02 0.00 0.00 35.03 35.01 1sxl n LYS 64 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1sxl n ARG 65 N 0.61 -0.19 -0.06 1.64 3.00 -1.26 0.25 116.66 120.65 1sxl n ARG 65 Ca 0.00 0.69 -0.07 0.00 -0.01 0.00 0.00 57.85 58.45 1sxl n ARG 65 Cb 0.00 -1.01 -0.01 0.00 0.00 0.00 0.00 32.46 31.44 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 -0.06 -0.57 5.56 4.81 -2.00 -1.66 114.58 120.66 1sxl h GLU 66 Ca 0.08 0.00 0.12 0.00 -0.13 0.00 0.00 59.36 59.43 1sxl h GLU 66 Cb 0.20 0.01 -0.10 0.00 0.63 0.00 0.00 28.75 29.49 1sxl h GLU 66 CO -0.43 -0.04 -0.05 0.93 -0.73 0.00 0.00 179.01 178.70 1sxl h GLU 67 N -0.06 0.07 -0.68 1.92 5.08 0.31 0.15 114.58 121.37 1sxl h GLU 67 Ca 0.13 -0.00 0.15 0.00 -1.00 0.00 0.00 59.36 58.64 1sxl h GLU 67 Cb 0.26 -0.02 -0.11 0.00 0.50 0.00 0.00 28.75 29.39 1sxl h GLU 67 CO -0.30 0.05 0.11 0.00 -1.00 0.00 0.00 179.01 177.86 1sxl h ALA 68 N 1.54 0.81 -0.85 3.43 0.00 -0.22 0.65 119.26 124.62 1sxl h ALA 68 Ca 0.29 0.18 0.14 0.00 0.00 0.00 0.00 54.91 55.51 1sxl h ALA 68 Cb 0.46 0.27 -0.09 0.00 0.00 0.00 0.00 17.79 18.42 1sxl h ALA 68 CO -0.52 -0.36 0.45 0.37 0.00 0.00 0.00 179.25 179.19 1sxl h GLN 69 N 0.21 0.65 0.00 0.00 4.15 -0.45 -0.72 115.11 118.96 1sxl h GLN 69 Ca 0.38 -0.04 0.01 0.00 0.77 0.00 0.00 58.65 59.76 1sxl h GLN 69 Cb 0.63 -0.15 -0.02 0.00 0.21 0.00 0.00 27.48 28.15 1sxl h GLN 69 CO -0.51 0.43 -0.18 0.93 -1.93 0.00 0.00 178.83 177.57 1sxl h GLU 70 N 0.67 -0.23 -0.86 1.69 4.39 0.85 0.15 114.58 121.25 1sxl h GLU 70 Ca 0.45 0.02 0.25 0.00 0.34 0.00 0.00 59.36 60.42 1sxl h GLU 70 Cb 0.59 0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 29.26 1sxl h GLU 70 CO -0.33 -0.15 0.64 0.00 -1.16 0.00 0.00 179.01 178.01 1sxl h ALA 71 N -1.14 2.80 -0.07 3.43 0.00 -1.03 0.26 119.26 123.51 1sxl h ALA 71 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1sxl h ALA 71 Cb 0.25 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 1sxl h ALA 71 CO -0.12 -1.08 0.04 0.82 0.00 0.00 0.00 179.25 178.91 1sxl h ILE 72 N 0.00 1.02 0.00 0.00 1.08 0.76 0.21 117.51 120.58 1sxl h ILE 72 Ca 0.41 -0.03 0.00 0.00 -0.39 0.00 0.00 64.86 64.85 1sxl h ILE 72 Cb 1.69 0.92 0.00 0.00 -3.07 0.00 0.00 36.82 36.36 1sxl h ILE 72 CO -0.00 0.02 -0.10 0.28 -0.69 0.00 0.00 178.15 177.65 1sxl h SER 73 N 0.09 0.00 -0.62 1.72 0.02 0.05 -2.44 113.55 112.37 1sxl h SER 73 Ca 0.02 0.00 0.07 0.00 -0.84 0.00 0.00 61.79 61.05 1sxl h SER 73 Cb -0.01 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.47 1sxl h SER 73 CO -0.01 0.27 0.29 0.00 -1.14 0.00 0.00 176.83 176.25 1sxl h ALA 74 N -1.55 0.82 0.20 3.77 0.00 -0.76 -2.89 119.26 118.85 1sxl h ALA 74 Ca 0.00 0.05 -0.32 0.00 0.00 0.00 0.00 54.91 54.64 1sxl h ALA 74 Cb 0.10 -0.03 0.03 0.00 0.00 0.00 0.00 17.79 17.89 1sxl h ALA 74 CO 0.00 -0.09 -1.38 -0.07 0.00 0.00 0.00 179.25 177.71 1sxl h LEU 75 N 0.53 0.78 -9.45 0.00 4.07 -0.74 -3.44 115.31 107.05 1sxl h LEU 75 Ca 0.29 -0.80 -0.61 0.00 0.08 0.00 0.00 57.88 56.84 1sxl h LEU 75 Cb 0.28 -0.25 0.07 0.00 1.08 0.00 0.00 40.66 41.83 1sxl h LEU 75 CO -0.24 1.62 0.60 -3.20 -1.08 0.00 0.00 178.44 176.14 1sxl n ASN 76 N -3.70 2.43 -2.71 -0.43 2.85 0.03 -2.81 115.26 110.93 1sxl n ASN 76 Ca -0.15 1.11 -0.00 0.00 -0.11 0.00 0.00 54.58 55.44 1sxl n ASN 76 Cb 1.06 -1.34 0.00 0.00 1.24 0.00 0.00 39.78 40.74 1sxl n ASN 76 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 1sxl n ASN 77 N 2.70 -6.47 -3.46 1.20 5.03 -1.25 -4.86 115.26 108.15 1sxl n ASN 77 Ca 0.16 -0.06 -0.40 0.00 0.87 0.00 0.00 54.58 55.15 1sxl n ASN 77 Cb 0.27 -4.33 -0.01 0.00 -1.02 0.00 0.00 39.78 34.68 1sxl n ASN 77 CO 0.00 0.00 0.00 0.55 -1.83 0.00 0.00 177.26 175.98 1sxl n VAL 78 N -1.61 4.78 -3.54 2.41 3.14 -1.12 -4.84 118.33 117.55 1sxl n VAL 78 Ca -0.00 -3.68 -0.09 0.00 -2.96 0.00 0.00 64.34 57.61 1sxl n VAL 78 Cb 0.50 -2.31 -0.02 0.00 -1.06 0.00 0.00 33.84 30.96 1sxl n VAL 78 CO 0.00 0.00 0.00 -0.51 -6.46 0.00 0.00 176.83 169.86 1sxl s ILE 79 N 0.30 0.00 -0.25 1.55 2.07 -1.26 -4.99 121.20 118.62 1sxl s ILE 79 Ca 0.58 -0.21 -0.01 0.00 -1.41 0.00 0.00 60.65 59.60 1sxl s ILE 79 Cb 0.17 -1.24 0.14 0.00 0.13 0.00 0.00 42.46 41.66 1sxl s ILE 79 CO -0.07 0.00 2.14 -0.81 -1.91 0.00 0.00 174.94 174.29 1sxl n PRO 80 N -0.36 1.68 -1.65 3.50 -0.04 -1.26 -4.96 135.00 131.91 1sxl n PRO 80 Ca -0.12 -1.26 0.00 0.00 -0.04 0.00 0.00 63.50 62.08 1sxl n PRO 80 Cb 0.63 -1.54 0.00 0.00 -0.04 0.00 0.00 33.50 32.55 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 0.73 -4.44 0.00 0.54 1.02 -1.26 -4.94 120.64 112.29 1sxl n GLU 81 Ca 0.25 3.40 0.00 0.00 -0.02 0.00 0.00 57.16 60.80 1sxl n GLU 81 Cb 0.57 -4.14 0.00 0.00 -0.02 0.00 0.00 31.44 27.85 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 -2.20 2.09 0.30 0.62 0.00 -1.26 -4.82 105.19 99.92 1sxl n GLY 82 Ca 0.00 -0.58 0.15 0.00 0.00 0.00 0.00 46.02 45.59 1sxl n GLY 82 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1sxl h GLY 83 N 0.00 0.00 -2.91 -0.02 0.00 -2.00 -3.45 103.07 94.69 1sxl h GLY 83 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 47.33 46.95 1sxl h GLY 83 CO 0.00 0.00 -0.48 1.44 0.00 0.00 0.00 176.54 177.50 1sxl n SER 84 N -3.85 -5.47 -3.53 0.19 7.64 -1.26 -4.91 113.62 102.43 1sxl n SER 84 Ca -0.03 0.08 -0.27 0.00 1.01 0.00 0.00 58.87 59.67 1sxl n SER 84 Cb 0.10 -4.60 -0.10 0.00 -1.01 0.00 0.00 64.21 58.61 1sxl n SER 84 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1sxl n GLN 85 N -2.89 1.51 -0.24 1.43 6.02 -1.26 -5.08 117.38 116.87 1sxl n GLN 85 Ca -0.22 -4.06 0.00 0.00 -0.01 0.00 0.00 57.00 52.71 1sxl n GLN 85 Cb 0.67 -1.97 0.00 0.00 1.02 0.00 0.00 30.24 29.96 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 1.72 3.13 -3.76 -1.09 -0.04 -1.26 -4.69 135.00 129.01 1sxl n PRO 86 Ca 0.25 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 63.35 1sxl n PRO 86 Cb 0.43 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.77 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 3.77 -0.43 1.53 0.05 -1.26 -4.31 118.68 118.03 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 -2.01 0.02 0.00 -2.05 0.00 0.00 46.19 42.15 1sxl s LEU 87 CO 0.00 0.02 1.21 -0.44 -0.55 0.00 0.00 176.35 176.59 1sxl s SER 88 N 1.28 6.60 0.57 1.48 0.01 -0.92 -3.80 113.70 118.92 1sxl s SER 88 Ca 0.06 0.68 -0.15 0.00 1.31 0.00 0.00 55.95 57.85 1sxl s SER 88 Cb -0.14 -2.55 -0.06 0.00 0.21 0.00 0.00 66.02 63.48 1sxl s SER 88 CO 0.05 -1.24 1.02 0.68 0.41 0.00 0.00 173.24 174.16 1sxl s VAL 89 N 4.59 4.34 0.00 3.43 -7.23 -1.26 -2.62 120.40 121.65 1sxl s VAL 89 Ca 0.51 1.03 0.00 0.00 -1.81 0.00 0.00 61.98 61.71 1sxl s VAL 89 Cb -0.10 -3.64 0.00 0.00 0.56 0.00 0.00 36.38 33.20 1sxl s VAL 89 CO 0.29 -0.73 0.00 -2.11 -0.31 0.00 0.00 175.10 172.24 1sxl n ARG 90 N -2.01 0.00 -0.98 4.82 1.85 -1.25 -5.00 116.66 114.10 1sxl n ARG 90 Ca 0.07 0.00 -0.36 0.00 -1.00 0.00 0.00 57.85 56.56 1sxl n ARG 90 Cb 0.54 0.00 0.05 0.00 -1.05 0.00 0.00 32.46 32.00 1sxl n ARG 90 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 1sxl n LEU 91 N 0.00 -5.18 -4.92 2.89 4.77 -1.26 -1.25 117.00 112.06 1sxl n LEU 91 Ca 0.00 0.21 -0.27 0.00 -0.03 0.00 0.00 56.01 55.92 1sxl n LEU 91 Cb 0.00 -0.83 0.06 0.00 -2.33 0.00 0.00 43.42 40.32 1sxl n LEU 91 CO 0.00 -5.69 0.62 0.00 -1.33 0.00 0.00 177.39 171.00 1sxl s ALA 92 N -2.05 3.12 1.00 -1.18 0.00 -1.21 -4.09 121.76 117.35 1sxl s ALA 92 Ca 0.43 -0.76 0.00 0.00 0.00 0.00 0.00 51.96 51.62 1sxl s ALA 92 Cb -0.19 -2.69 0.00 0.00 0.00 0.00 0.00 23.12 20.24 1sxl s ALA 92 CO 0.80 -1.17 0.00 0.39 0.00 0.00 0.00 175.76 175.78 1sxl n GLU 93 N -2.87 0.36 0.00 0.00 1.02 -1.25 -2.27 120.64 115.63 1sxl n GLU 93 Ca 0.07 0.00 0.08 0.00 -0.02 0.00 0.00 57.16 57.28 1sxl n GLU 93 Cb 0.59 0.00 0.45 0.00 -0.02 0.00 0.00 31.44 32.46 1sxl n GLU 93 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1sxl n GLU 94 N -0.44 0.87 -3.96 3.49 1.02 -1.26 -3.80 120.64 116.56 1sxl n GLU 94 Ca 0.00 0.00 -0.30 0.00 -0.02 0.00 0.00 57.16 56.84 1sxl n GLU 94 Cb 0.00 -1.27 -0.16 0.00 -0.02 0.00 0.00 31.44 29.99 1sxl n GLU 94 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1sxl s HIS 95 N -2.00 2.37 0.00 -0.32 3.76 -1.26 -4.76 115.29 113.07 1sxl s HIS 95 Ca 0.23 -1.64 0.00 0.00 -0.15 0.00 0.00 55.06 53.50 1sxl s HIS 95 Cb 0.10 -1.59 0.00 0.00 1.11 0.00 0.00 32.58 32.20 1sxl s HIS 95 CO 0.18 -0.75 0.00 0.41 -0.85 0.00 0.00 174.74 173.73 1sxl n GLY 96 N 4.69 -0.50 0.07 -2.22 0.00 -1.26 -4.99 105.19 100.97 1sxl n GLY 96 Ca -0.13 -1.30 0.16 0.00 0.00 0.00 0.00 46.02 44.75 1sxl n GLY 96 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60