#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 -0.51 -0.74 6.12 1.04 -1.26 -5.09 113.70 113.25 1sxl s SER 2 Ca 0.00 0.59 -0.09 0.00 0.48 0.00 0.00 55.95 56.93 1sxl s SER 2 Cb 0.00 1.61 0.19 0.00 0.10 0.00 0.00 66.02 67.92 1sxl s SER 2 CO 0.00 -0.28 0.63 -0.31 0.98 0.00 0.00 173.24 174.26 1sxl s TYR 3 N 2.69 3.61 0.51 5.02 2.02 -1.26 -4.99 117.35 124.95 1sxl s TYR 3 Ca 0.15 -2.32 0.00 0.00 -0.37 0.00 0.00 57.07 54.53 1sxl s TYR 3 Cb -0.15 -3.55 0.00 0.00 -0.40 0.00 0.00 41.96 37.86 1sxl s TYR 3 CO -0.18 -0.92 0.00 0.00 -1.57 0.00 0.00 175.55 172.88 1sxl n ALA 4 N 3.74 -3.24 -1.84 3.71 0.00 -1.26 -5.01 120.51 116.62 1sxl n ALA 4 Ca 0.11 0.75 0.00 0.00 0.00 0.00 0.00 53.44 54.31 1sxl n ALA 4 Cb 0.43 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.55 1sxl n ALA 4 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1sxl n ARG 5 N -4.02 0.00 -1.16 0.00 5.12 -1.26 -5.05 116.66 110.29 1sxl n ARG 5 Ca -0.07 0.00 -0.37 0.00 -1.93 0.00 0.00 57.85 55.48 1sxl n ARG 5 Cb 0.58 0.00 0.04 0.00 -1.16 0.00 0.00 32.46 31.92 1sxl n ARG 5 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 1sxl n PRO 6 N -0.17 0.08 0.00 5.56 -0.04 -1.26 -4.99 135.00 134.17 1sxl n PRO 6 Ca 0.00 0.04 0.00 0.00 -0.04 0.00 0.00 63.50 63.50 1sxl n PRO 6 Cb 0.00 -1.27 0.00 0.00 -0.04 0.00 0.00 33.50 32.19 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 2.52 0.86 3.55 0.55 0.00 -1.26 -4.88 105.19 106.53 1sxl n GLY 7 Ca 0.06 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.92 1sxl n GLY 7 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1sxl s GLY 8 N 0.00 -0.53 0.00 -0.02 0.00 -1.26 -1.77 107.32 103.74 1sxl s GLY 8 Ca 0.00 1.65 0.00 0.00 0.00 0.00 0.00 44.72 46.37 1sxl s GLY 8 CO 0.00 1.35 0.00 1.18 0.00 0.00 0.00 173.10 175.63 1sxl n GLU 9 N 2.00 0.00 -0.93 2.90 -0.58 -1.26 -4.76 120.64 118.01 1sxl n GLU 9 Ca -0.16 0.00 -0.34 0.00 -0.42 0.00 0.00 57.16 56.24 1sxl n GLU 9 Cb 0.56 0.00 0.04 0.00 -0.57 0.00 0.00 31.44 31.47 1sxl n GLU 9 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 1sxl n SER 10 N 0.00 -5.29 -4.41 1.62 3.41 -1.26 -3.45 113.62 104.24 1sxl n SER 10 Ca 0.00 0.15 -0.48 0.00 -0.26 0.00 0.00 58.87 58.28 1sxl n SER 10 Cb 0.00 -0.68 -0.13 0.00 -0.26 0.00 0.00 64.21 63.14 1sxl n SER 10 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 1sxl n ILE 11 N -2.45 0.01 0.00 -1.33 -0.00 -1.26 -4.30 119.36 110.03 1sxl n ILE 11 Ca -0.02 -0.05 0.00 0.00 -0.00 0.00 0.00 62.75 62.68 1sxl n ILE 11 Cb 0.55 -0.66 0.00 0.00 -0.00 0.00 0.00 39.64 39.52 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 8.17 0.00 -3.15 0.38 5.02 -1.26 -4.80 118.16 122.51 1sxl n LYS 12 Ca 0.60 0.00 0.03 0.00 -2.02 0.00 0.00 58.31 56.92 1sxl n LYS 12 Cb 0.04 0.00 -0.00 0.00 -0.02 0.00 0.00 35.03 35.05 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 1.00 -1.45 -0.38 4.39 -1.08 -1.26 -4.82 116.67 113.08 1sxl s ASP 13 Ca 0.00 -0.15 0.12 0.00 -0.52 0.00 0.00 52.55 52.00 1sxl s ASP 13 Cb 0.00 1.88 0.39 0.00 -1.46 0.00 0.00 42.92 43.73 1sxl s ASP 13 CO 0.00 -0.23 1.01 0.41 0.52 0.00 0.00 175.17 176.88 1sxl n THR 14 N 4.99 0.25 -1.77 1.71 -1.04 -0.65 -4.77 114.28 113.00 1sxl n THR 14 Ca 0.07 -2.85 -0.30 0.00 -2.04 0.00 0.00 64.05 58.93 1sxl n THR 14 Cb 0.56 0.64 0.06 0.00 -1.82 0.00 0.00 70.33 69.76 1sxl n THR 14 CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 1sxl s ASN 15 N -2.15 5.22 0.00 8.00 0.02 -1.22 -3.91 114.94 120.90 1sxl s ASN 15 Ca 0.29 1.22 0.05 0.00 -1.02 0.00 0.00 52.86 53.40 1sxl s ASN 15 Cb 0.38 -2.02 -0.02 0.00 0.02 0.00 0.00 41.25 39.62 1sxl s ASN 15 CO -0.04 -1.49 -0.17 -1.48 0.02 0.00 0.00 177.10 173.94 1sxl s LEU 16 N -5.48 2.07 -0.45 0.60 2.34 -1.07 -3.46 118.68 113.24 1sxl s LEU 16 Ca 0.59 -0.35 -0.27 0.00 0.06 0.00 0.00 54.13 54.16 1sxl s LEU 16 Cb -0.12 -0.84 0.03 0.00 -0.56 0.00 0.00 46.19 44.70 1sxl s LEU 16 CO 0.53 0.18 0.99 -0.31 -1.06 0.00 0.00 176.35 176.67 1sxl s TYR 17 N -0.51 2.92 -0.31 3.48 2.02 -0.89 -1.98 117.35 122.09 1sxl s TYR 17 Ca 0.06 0.56 -0.25 0.00 -0.37 0.00 0.00 57.07 57.06 1sxl s TYR 17 Cb -0.07 -4.04 0.01 0.00 -0.40 0.00 0.00 41.96 37.46 1sxl s TYR 17 CO -0.00 -1.09 0.87 0.14 -1.57 0.00 0.00 175.55 173.90 1sxl s VAL 18 N 3.90 4.71 0.47 0.71 -7.23 -0.50 -4.28 120.40 118.17 1sxl s VAL 18 Ca 0.40 1.32 -0.02 0.00 -1.81 0.00 0.00 61.98 61.88 1sxl s VAL 18 Cb -0.10 -4.23 -0.01 0.00 0.56 0.00 0.00 36.38 32.61 1sxl s VAL 18 CO 0.26 -0.33 0.72 0.42 -0.31 0.00 0.00 175.10 175.86 1sxl s THR 19 N 3.16 4.24 -0.20 5.32 -4.23 -1.07 -0.38 115.64 122.48 1sxl s THR 19 Ca 0.36 -0.28 -0.01 0.00 -1.18 0.00 0.00 61.69 60.58 1sxl s THR 19 Cb -0.14 -3.59 0.00 0.00 1.34 0.00 0.00 72.50 70.11 1sxl s THR 19 CO 0.13 -0.48 0.02 -3.20 -0.54 0.00 0.00 174.62 170.56 1sxl n ASN 20 N -2.16 -7.51 -3.22 3.99 2.85 -0.98 -1.68 115.26 106.55 1sxl n ASN 20 Ca 0.01 1.05 -0.01 0.00 -0.11 0.00 0.00 54.58 55.51 1sxl n ASN 20 Cb 0.57 -3.98 -0.02 0.00 1.24 0.00 0.00 39.78 37.59 1sxl n ASN 20 CO 0.00 0.00 0.00 -0.22 -2.11 0.00 0.00 177.26 174.93 1sxl s LEU 21 N -1.44 -1.29 0.99 1.20 2.96 -1.26 -3.90 118.68 115.95 1sxl s LEU 21 Ca 0.01 -0.33 -0.12 0.00 -0.22 0.00 0.00 54.13 53.46 1sxl s LEU 21 Cb -0.00 1.69 0.18 0.00 0.50 0.00 0.00 46.19 48.56 1sxl s LEU 21 CO 0.51 -0.28 1.09 -2.16 -1.32 0.00 0.00 176.35 174.19 1sxl s PRO 22 N 2.40 0.48 -0.28 0.98 0.04 -1.26 -4.70 135.00 132.65 1sxl s PRO 22 Ca 0.12 0.60 -0.02 0.00 0.04 0.00 0.00 61.00 61.75 1sxl s PRO 22 Cb -0.09 -1.74 0.12 0.00 0.04 0.00 0.00 34.50 32.83 1sxl s PRO 22 CO -0.20 -2.72 2.28 -2.13 0.04 0.00 0.00 177.00 174.26 1sxl n ARG 23 N -4.18 1.83 0.04 4.56 0.63 -1.26 -4.31 116.66 113.97 1sxl n ARG 23 Ca 0.05 -1.48 0.14 0.00 -0.92 0.00 0.00 57.85 55.64 1sxl n ARG 23 Cb 0.57 -1.67 0.52 0.00 0.45 0.00 0.00 32.46 32.33 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 0.75 0.25 -4.50 5.15 5.66 -1.26 -4.85 114.28 115.47 1sxl n THR 24 Ca 0.31 -0.12 -0.23 0.00 -3.05 0.00 0.00 64.05 60.96 1sxl n THR 24 Cb 0.59 -0.52 -0.06 0.00 -1.55 0.00 0.00 70.33 68.79 1sxl n THR 24 CO 0.00 0.00 0.00 2.30 -3.05 0.00 0.00 175.07 174.32 1sxl n ILE 25 N -1.82 0.00 -4.19 1.09 -0.00 -1.26 -5.15 119.36 108.02 1sxl n ILE 25 Ca 0.06 -1.93 -0.27 0.00 -0.00 0.00 0.00 62.75 60.61 1sxl n ILE 25 Cb 0.38 0.55 -0.08 0.00 -0.00 0.00 0.00 39.64 40.49 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 -2.65 3.75 0.15 7.28 -4.23 -1.26 -5.00 115.64 113.69 1sxl s THR 26 Ca 0.09 -1.35 -0.16 0.00 -1.18 0.00 0.00 61.69 59.09 1sxl s THR 26 Cb 0.00 -2.87 0.01 0.00 1.34 0.00 0.00 72.50 70.99 1sxl s THR 26 CO 0.06 -0.07 1.76 -2.24 -0.54 0.00 0.00 174.62 173.60 1sxl h ASP 27 N 2.84 0.20 0.53 3.99 2.03 -1.95 0.71 116.42 124.77 1sxl h ASP 27 Ca -0.47 0.03 0.00 0.00 -0.73 0.00 0.00 57.03 55.86 1sxl h ASP 27 Cb 1.20 -0.01 0.00 0.00 -0.83 0.00 0.00 39.33 39.69 1sxl h ASP 27 CO 0.58 0.15 0.00 -0.78 -1.03 0.00 0.00 179.24 178.16 1sxl h ASP 28 N 0.32 0.00 -0.04 4.15 3.58 -1.95 -2.85 116.42 119.63 1sxl h ASP 28 Ca 0.16 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.58 1sxl h ASP 28 Cb 0.10 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.15 1sxl h ASP 28 CO -0.13 0.00 -0.06 -0.61 -2.88 0.00 0.00 179.24 175.55 1sxl h GLN 29 N 0.00 0.11 -0.95 0.28 4.15 -1.25 -2.81 115.11 114.63 1sxl h GLN 29 Ca 0.00 -0.07 0.28 0.00 0.77 0.00 0.00 58.65 59.63 1sxl h GLN 29 Cb 0.26 0.01 -0.04 0.00 0.21 0.00 0.00 27.48 27.92 1sxl h GLN 29 CO 0.00 0.63 0.92 -0.07 -1.93 0.00 0.00 178.83 178.39 1sxl h LEU 30 N -0.41 0.00 0.09 -2.39 4.07 -1.23 0.54 115.31 115.97 1sxl h LEU 30 Ca 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 57.96 1sxl h LEU 30 Cb 0.63 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.37 1sxl h LEU 30 CO 0.01 0.00 -0.04 -0.78 -1.08 0.00 0.00 178.44 176.55 1sxl h ASP 31 N 0.00 -0.10 -0.69 -0.43 3.58 -1.60 -2.24 116.42 114.94 1sxl h ASP 31 Ca 0.45 -0.20 0.09 0.00 0.42 0.00 0.00 57.03 57.79 1sxl h ASP 31 Cb 2.30 0.03 -0.07 0.00 1.72 0.00 0.00 39.33 43.30 1sxl h ASP 31 CO -0.00 0.15 0.33 0.74 -2.88 0.00 0.00 179.24 177.57 1sxl h THR 32 N -0.35 0.84 -0.72 2.25 2.02 0.00 0.14 112.91 117.08 1sxl h THR 32 Ca -0.01 -0.19 0.07 0.00 0.77 0.00 0.00 66.41 67.05 1sxl h THR 32 Cb 0.30 0.22 -0.05 0.00 -1.74 0.00 0.00 68.15 66.89 1sxl h THR 32 CO 0.02 0.10 0.48 0.40 0.37 0.00 0.00 175.52 176.89 1sxl h ILE 33 N 0.57 1.00 0.00 3.11 5.03 -1.28 -3.32 117.51 122.62 1sxl h ILE 33 Ca 0.34 -0.25 0.00 0.00 -0.12 0.00 0.00 64.86 64.83 1sxl h ILE 33 Cb 0.36 0.21 0.00 0.00 -3.03 0.00 0.00 36.82 34.37 1sxl h ILE 33 CO -0.27 0.13 0.00 0.49 -0.68 0.00 0.00 178.15 177.82 1sxl n PHE 34 N -4.48 0.00 -3.01 1.37 3.72 0.33 -4.87 117.46 110.51 1sxl n PHE 34 Ca 0.11 0.00 -0.05 0.00 -0.05 0.00 0.00 57.45 57.46 1sxl n PHE 34 Cb 0.25 0.00 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 2.65 -0.18 0.00 1.37 0.00 -0.32 -4.42 105.19 104.30 1sxl n GLY 35 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 -1.04 0.00 0.00 1.61 4.81 -1.26 -5.05 118.16 117.23 1sxl n LYS 36 Ca -0.04 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.40 1sxl n LYS 36 Cb 0.10 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.15 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 -0.85 0.00 -3.64 5.64 4.01 -1.26 -5.07 117.16 115.99 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 -0.03 0.00 0.00 -0.31 0.00 0.00 39.34 39.00 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 2.29 4.35 1.85 2.72 0.00 -1.26 -5.03 105.19 110.11 1sxl n GLY 38 Ca 0.00 -2.17 -0.19 0.00 0.00 0.00 0.00 46.02 43.67 1sxl n GLY 38 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1sxl n SER 39 N -1.11 4.07 -0.96 1.61 3.41 -1.26 -4.62 113.62 114.76 1sxl n SER 39 Ca 0.00 -3.72 0.00 0.00 -0.26 0.00 0.00 58.87 54.89 1sxl n SER 39 Cb 0.00 -0.75 0.00 0.00 -0.26 0.00 0.00 64.21 63.20 1sxl n SER 39 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 1sxl n ILE 40 N -1.07 -0.28 1.65 -1.33 2.08 -1.26 -4.69 119.36 114.47 1sxl n ILE 40 Ca 0.50 0.00 0.01 0.00 0.56 0.00 0.00 62.75 63.81 1sxl n ILE 40 Cb 1.21 -0.77 0.04 0.00 -0.75 0.00 0.00 39.64 39.36 1sxl n ILE 40 CO 0.00 0.00 0.00 1.33 0.56 0.00 0.00 176.55 178.44 1sxl n VAL 41 N 1.54 0.00 -2.87 1.39 0.24 -1.26 -4.86 118.33 112.50 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 -0.11 0.00 0.00 -1.47 0.00 0.00 33.84 32.26 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 -0.52 0.00 0.00 7.34 -0.06 -1.26 -5.05 117.38 117.82 1sxl n GLN 42 Ca 0.01 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.01 1sxl n GLN 42 Cb 0.00 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.18 1sxl n GLN 42 CO 0.00 0.00 0.00 1.63 -0.20 0.00 0.00 177.06 178.49 1sxl n LYS 43 N 0.00 0.00 -3.96 3.69 5.02 -1.26 -4.30 118.16 117.35 1sxl n LYS 43 Ca 0.00 0.00 -0.17 0.00 -2.02 0.00 0.00 58.31 56.12 1sxl n LYS 43 Cb 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 34.94 1sxl n LYS 43 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1sxl n ASN 44 N 0.00 -0.49 -3.90 4.39 2.85 -0.73 -4.88 115.26 112.50 1sxl n ASN 44 Ca 0.00 -2.91 -0.12 0.00 -0.11 0.00 0.00 54.58 51.43 1sxl n ASN 44 Cb 0.00 1.42 -0.14 0.00 1.24 0.00 0.00 39.78 42.31 1sxl n ASN 44 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1sxl s ILE 45 N -3.16 0.10 -0.07 -1.44 1.09 -1.26 -2.00 121.20 114.45 1sxl s ILE 45 Ca 0.34 -0.19 0.03 0.00 -1.10 0.00 0.00 60.65 59.72 1sxl s ILE 45 Cb 0.02 -0.11 0.01 0.00 -1.06 0.00 0.00 42.46 41.31 1sxl s ILE 45 CO 0.24 -0.06 -0.14 -0.76 -0.10 0.00 0.00 174.94 174.12 1sxl s LEU 46 N -0.26 1.72 0.33 2.97 1.02 -0.68 -4.87 118.68 118.89 1sxl s LEU 46 Ca -0.02 -0.33 0.09 0.00 0.02 0.00 0.00 54.13 53.89 1sxl s LEU 46 Cb -0.02 -0.90 -0.05 0.00 0.02 0.00 0.00 46.19 45.24 1sxl s LEU 46 CO -0.00 0.06 0.04 0.00 0.02 0.00 0.00 176.35 176.47 1sxl s ARG 47 N 0.58 2.19 -0.45 1.70 1.70 -1.26 -2.22 118.95 121.19 1sxl s ARG 47 Ca -0.14 -1.64 0.08 0.00 -0.47 0.00 0.00 55.73 53.56 1sxl s ARG 47 Cb -0.16 -2.03 0.26 0.00 -0.57 0.00 0.00 34.95 32.45 1sxl s ARG 47 CO 0.04 0.17 0.59 -3.47 -1.08 0.00 0.00 175.30 171.55 1sxl n ASP 48 N -0.99 1.13 0.00 -2.89 -0.08 -1.26 -4.65 116.55 107.80 1sxl n ASP 48 Ca -0.04 -2.90 0.00 0.00 -1.51 0.00 0.00 54.79 50.33 1sxl n ASP 48 Cb 0.61 -0.64 0.00 0.00 2.34 0.00 0.00 41.12 43.43 1sxl n ASP 48 CO 0.00 0.00 0.00 2.29 0.12 0.00 0.00 177.20 179.61 1sxl n LYS 49 N 1.18 -0.29 -0.29 -0.67 2.85 -1.26 -4.60 118.16 115.08 1sxl n LYS 49 Ca 0.24 -0.34 0.00 0.00 -1.05 0.00 0.00 58.31 57.16 1sxl n LYS 49 Cb 0.51 -0.76 0.00 0.00 -0.65 0.00 0.00 35.03 34.13 1sxl n LYS 49 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 1sxl n LEU 50 N -0.03 0.00 0.00 -5.58 4.32 -1.26 -4.92 117.00 109.53 1sxl n LEU 50 Ca 0.00 -0.67 0.00 0.00 -0.02 0.00 0.00 56.01 55.32 1sxl n LEU 50 Cb 0.15 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.95 1sxl n LEU 50 CO 0.00 0.40 0.00 1.07 -1.22 0.00 0.00 177.39 177.64 1sxl n THR 51 N 0.00 0.00 -2.48 -5.08 5.66 -1.26 -5.04 114.28 106.07 1sxl n THR 51 Ca 0.00 0.00 -0.08 0.00 -3.05 0.00 0.00 64.05 60.92 1sxl n THR 51 Cb 0.57 0.00 0.01 0.00 -1.55 0.00 0.00 70.33 69.36 1sxl n THR 51 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1sxl n GLY 52 N 1.14 0.22 0.37 1.09 0.00 -1.26 -4.95 105.19 101.80 1sxl n GLY 52 Ca 0.00 -0.47 -0.11 0.00 0.00 0.00 0.00 46.02 45.44 1sxl n GLY 52 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sxl n ARG 53 N -1.91 0.39 -0.15 1.61 1.74 -1.26 -5.04 116.66 112.05 1sxl n ARG 53 Ca -0.05 0.16 0.00 0.00 -0.77 0.00 0.00 57.85 57.19 1sxl n ARG 53 Cb 0.55 -1.18 0.00 0.00 -1.02 0.00 0.00 32.46 30.81 1sxl n ARG 53 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1sxl n PRO 54 N -4.10 1.43 -3.13 5.56 -0.04 -1.26 -5.06 135.00 128.40 1sxl n PRO 54 Ca -0.19 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.09 1sxl n PRO 54 Cb 0.50 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.93 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 -0.33 0.92 -3.05 0.54 0.63 -1.26 -4.74 116.66 109.36 1sxl n ARG 55 Ca 0.00 -3.16 -0.15 0.00 -0.92 0.00 0.00 57.85 53.62 1sxl n ARG 55 Cb 0.00 -1.54 0.02 0.00 0.45 0.00 0.00 32.46 31.39 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 0.54 -0.96 3.51 5.14 0.00 -1.26 -4.65 105.19 107.51 1sxl n GLY 56 Ca 0.22 1.16 -0.15 0.00 0.00 0.00 0.00 46.02 47.25 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 -2.38 0.00 0.39 1.61 -7.23 -0.94 -2.32 120.40 109.52 1sxl s VAL 57 Ca 0.25 -0.04 0.06 0.00 -1.81 0.00 0.00 61.98 60.45 1sxl s VAL 57 Cb -0.06 -0.88 0.06 0.00 0.56 0.00 0.00 36.38 36.07 1sxl s VAL 57 CO 0.80 -0.02 0.52 0.00 -0.31 0.00 0.00 175.10 176.09 1sxl n ALA 58 N 2.21 0.81 -3.74 1.32 0.00 0.48 -1.69 120.51 119.91 1sxl n ALA 58 Ca -0.16 -1.40 -0.28 0.00 0.00 0.00 0.00 53.44 51.60 1sxl n ALA 58 Cb 0.56 0.39 -0.16 0.00 0.00 0.00 0.00 19.45 20.24 1sxl n ALA 58 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1sxl s PHE 59 N -1.42 1.17 0.52 0.00 2.19 -0.85 -1.41 117.98 118.19 1sxl s PHE 59 Ca 0.40 -1.04 -0.06 0.00 0.33 0.00 0.00 56.93 56.55 1sxl s PHE 59 Cb -0.03 -1.15 -0.03 0.00 -1.31 0.00 0.00 43.02 40.49 1sxl s PHE 59 CO 0.25 -0.67 0.85 0.08 1.83 0.00 0.00 175.22 177.56 1sxl s VAL 60 N 1.81 4.65 -0.08 3.12 1.01 -0.84 -1.78 120.40 128.29 1sxl s VAL 60 Ca 0.01 0.28 -0.03 0.00 0.00 0.00 0.00 61.98 62.23 1sxl s VAL 60 Cb -0.17 -3.79 -0.04 0.00 0.00 0.00 0.00 36.38 32.38 1sxl s VAL 60 CO -0.12 -0.83 0.05 -0.60 0.00 0.00 0.00 175.10 173.60 1sxl s ARG 61 N -4.86 3.11 -0.47 2.72 3.00 -1.26 -2.59 118.95 118.60 1sxl s ARG 61 Ca 0.50 -0.35 0.05 0.00 -1.00 0.00 0.00 55.73 54.93 1sxl s ARG 61 Cb -0.10 -2.91 0.25 0.00 0.00 0.00 0.00 34.95 32.19 1sxl s ARG 61 CO 0.46 0.71 0.94 0.66 0.00 0.00 0.00 175.30 178.08 1sxl n TYR 62 N 1.95 -3.08 0.00 5.12 4.01 -1.25 -4.67 117.16 119.24 1sxl n TYR 62 Ca -0.18 -1.70 0.00 0.00 -0.16 0.00 0.00 57.90 55.86 1sxl n TYR 62 Cb 0.54 1.54 0.00 0.00 -0.31 0.00 0.00 39.34 41.11 1sxl n TYR 62 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1sxl n ASN 63 N 1.51 0.00 -3.97 7.72 4.13 -1.26 -3.34 115.26 120.05 1sxl n ASN 63 Ca 0.08 0.17 -0.57 0.00 1.68 0.00 0.00 54.58 55.94 1sxl n ASN 63 Cb 0.64 0.00 -0.09 0.00 -1.54 0.00 0.00 39.78 38.80 1sxl n ASN 63 CO 0.00 0.00 0.00 1.17 0.28 0.00 0.00 177.26 178.71 1sxl n LYS 64 N -0.28 0.00 -0.27 3.52 4.81 -1.26 -1.64 118.16 123.05 1sxl n LYS 64 Ca 0.00 0.00 0.06 0.00 -0.87 0.00 0.00 58.31 57.50 1sxl n LYS 64 Cb 0.00 -1.28 0.17 0.00 0.02 0.00 0.00 35.03 33.94 1sxl n LYS 64 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1sxl h ARG 65 N 4.81 0.09 -0.28 1.64 -0.00 -1.76 0.17 114.38 119.04 1sxl h ARG 65 Ca -0.33 -0.01 0.06 0.00 -0.50 0.00 0.00 59.98 59.20 1sxl h ARG 65 Cb 1.17 -0.02 -0.05 0.00 0.00 0.00 0.00 29.97 31.07 1sxl h ARG 65 CO 0.85 0.06 -0.07 0.93 0.00 0.00 0.00 179.97 181.74 1sxl h GLU 66 N 0.09 -0.00 -0.81 0.04 5.08 -1.62 -0.98 114.58 116.38 1sxl h GLU 66 Ca 0.43 0.00 0.12 0.00 -1.00 0.00 0.00 59.36 58.90 1sxl h GLU 66 Cb 0.76 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.93 1sxl h GLU 66 CO -0.70 -0.00 0.43 1.49 -1.00 0.00 0.00 179.01 179.24 1sxl h GLU 67 N -0.00 0.67 -0.97 2.33 4.57 -1.01 0.17 114.58 120.32 1sxl h GLU 67 Ca 0.13 -0.04 0.11 0.00 -1.18 0.00 0.00 59.36 58.38 1sxl h GLU 67 Cb 0.21 -0.15 -0.08 0.00 -0.16 0.00 0.00 28.75 28.57 1sxl h GLU 67 CO -0.29 0.44 0.62 0.00 -1.18 0.00 0.00 179.01 178.60 1sxl h ALA 68 N 1.49 1.55 -0.64 2.92 0.00 -0.31 0.25 119.26 124.52 1sxl h ALA 68 Ca 0.41 0.01 0.08 0.00 0.00 0.00 0.00 54.91 55.41 1sxl h ALA 68 Cb 0.48 -0.22 -0.06 0.00 0.00 0.00 0.00 17.79 17.99 1sxl h ALA 68 CO -0.30 0.24 0.31 0.37 0.00 0.00 0.00 179.25 179.87 1sxl h GLN 69 N 0.99 0.54 -0.05 0.00 4.15 -0.19 -1.40 115.11 119.15 1sxl h GLN 69 Ca 0.46 -0.03 0.02 0.00 0.77 0.00 0.00 58.65 59.87 1sxl h GLN 69 Cb 0.42 -0.12 -0.05 0.00 0.21 0.00 0.00 27.48 27.94 1sxl h GLN 69 CO -0.22 0.36 -0.42 0.93 -1.93 0.00 0.00 178.83 177.54 1sxl h GLU 70 N 0.56 -0.47 -1.00 1.69 3.07 -0.18 0.34 114.58 118.59 1sxl h GLU 70 Ca 0.30 0.03 0.35 0.00 -0.50 0.00 0.00 59.36 59.55 1sxl h GLU 70 Cb 0.28 0.11 -0.16 0.00 -0.84 0.00 0.00 28.75 28.14 1sxl h GLU 70 CO -0.23 -0.31 0.56 0.00 -1.40 0.00 0.00 179.01 177.62 1sxl h ALA 71 N -0.61 2.01 -0.27 3.43 0.00 -0.84 0.61 119.26 123.59 1sxl h ALA 71 Ca 0.02 0.21 0.04 0.00 0.00 0.00 0.00 54.91 55.18 1sxl h ALA 71 Cb 0.55 0.21 -0.07 0.00 0.00 0.00 0.00 17.79 18.48 1sxl h ALA 71 CO -0.31 -0.68 -0.50 0.82 0.00 0.00 0.00 179.25 178.57 1sxl h ILE 72 N 0.23 0.00 0.00 0.00 1.08 0.68 0.32 117.51 119.82 1sxl h ILE 72 Ca 0.77 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 65.24 1sxl h ILE 72 Cb 1.83 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 35.58 1sxl h ILE 72 CO -0.66 0.00 -0.02 0.28 -0.69 0.00 0.00 178.15 177.06 1sxl h SER 73 N -0.44 0.00 -0.67 1.72 0.02 -0.16 -2.32 113.55 111.70 1sxl h SER 73 Ca 0.05 0.00 0.13 0.00 -0.84 0.00 0.00 61.79 61.13 1sxl h SER 73 Cb 0.58 0.00 -0.13 0.00 0.14 0.00 0.00 62.40 62.99 1sxl h SER 73 CO -0.48 0.07 -0.21 0.00 -1.14 0.00 0.00 176.83 175.06 1sxl h ALA 74 N -1.88 0.34 0.00 3.77 0.00 -0.11 -0.96 119.26 120.43 1sxl h ALA 74 Ca 0.00 0.25 -0.16 0.00 0.00 0.00 0.00 54.91 54.99 1sxl h ALA 74 Cb 0.02 0.59 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1sxl h ALA 74 CO 0.00 -0.48 -0.78 -0.07 0.00 0.00 0.00 179.25 177.92 1sxl h LEU 75 N -0.04 0.00 -8.73 0.00 3.38 -0.59 -3.43 115.31 105.90 1sxl h LEU 75 Ca 0.31 0.00 -0.75 0.00 0.09 0.00 0.00 57.88 57.54 1sxl h LEU 75 Cb 0.52 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 1sxl h LEU 75 CO -0.71 0.78 1.10 -3.20 0.09 0.00 0.00 178.44 176.50 1sxl n ASN 76 N -3.34 1.84 -2.82 -0.43 5.15 0.78 -1.63 115.26 114.81 1sxl n ASN 76 Ca 0.01 0.83 -0.07 0.00 -0.60 0.00 0.00 54.58 54.75 1sxl n ASN 76 Cb 0.83 -1.09 0.01 0.00 -0.53 0.00 0.00 39.78 39.00 1sxl n ASN 76 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1sxl n ASN 77 N 6.85 -7.71 -2.00 1.20 3.02 -1.25 -4.80 115.26 110.57 1sxl n ASN 77 Ca 0.37 0.44 -0.15 0.00 -0.03 0.00 0.00 54.58 55.21 1sxl n ASN 77 Cb 0.10 -5.22 -0.05 0.00 -0.61 0.00 0.00 39.78 34.00 1sxl n ASN 77 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 1sxl n VAL 78 N -0.51 2.82 -3.84 2.41 0.24 -0.64 -4.81 118.33 114.00 1sxl n VAL 78 Ca 0.10 -1.73 -0.12 0.00 -2.04 0.00 0.00 64.34 60.55 1sxl n VAL 78 Cb 0.45 -1.62 -0.11 0.00 -1.47 0.00 0.00 33.84 31.09 1sxl n VAL 78 CO 0.00 0.00 0.00 0.27 -2.14 0.00 0.00 176.83 174.96 1sxl s ILE 79 N -0.90 0.04 0.35 1.34 -0.00 -1.26 -4.99 121.20 115.78 1sxl s ILE 79 Ca 0.42 -0.35 -0.29 0.00 -0.00 0.00 0.00 60.65 60.44 1sxl s ILE 79 Cb 0.25 -0.35 -0.11 0.00 -0.00 0.00 0.00 42.46 42.25 1sxl s ILE 79 CO -0.06 -0.19 1.45 -2.16 -0.00 0.00 0.00 174.94 173.98 1sxl s PRO 80 N -0.66 4.18 -0.63 0.37 0.04 -1.26 -4.74 135.00 132.31 1sxl s PRO 80 Ca -0.07 2.46 -0.40 0.00 0.04 0.00 0.00 61.00 63.03 1sxl s PRO 80 Cb -0.04 -3.01 -0.20 0.00 0.04 0.00 0.00 34.50 31.29 1sxl s PRO 80 CO 0.01 -0.45 2.29 -1.91 0.04 0.00 0.00 177.00 176.98 1sxl n GLU 81 N 0.83 0.03 0.00 4.56 0.00 -1.26 -4.35 120.64 120.45 1sxl n GLU 81 Ca 0.02 0.01 0.00 0.00 0.00 0.00 0.00 57.16 57.18 1sxl n GLU 81 Cb 0.40 -1.53 0.00 0.00 0.00 0.00 0.00 31.44 30.31 1sxl n GLU 81 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1sxl n GLY 82 N 7.21 0.00 6.45 8.31 0.00 -1.26 -5.12 105.19 120.79 1sxl n GLY 82 Ca 0.57 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.59 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 0.39 3.09 -0.02 0.00 -1.26 -4.92 105.19 102.47 1sxl n GLY 83 Ca 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 45.04 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 3.84 0.00 -2.15 1.61 2.88 -1.26 -4.63 113.62 113.91 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 -0.12 0.00 0.00 -0.75 0.00 0.00 64.21 63.34 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 -5.14 -2.14 -1.46 6.02 -1.26 -4.72 117.38 106.68 1sxl n GLN 85 Ca 0.00 3.64 -0.28 0.00 -0.01 0.00 0.00 57.00 60.36 1sxl n GLN 85 Cb 0.00 -4.15 0.16 0.00 1.02 0.00 0.00 30.24 27.27 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 -0.50 1.00 -0.04 -1.09 0.04 -1.26 -4.78 135.00 128.36 1sxl s PRO 86 Ca 0.00 -0.62 0.06 0.00 0.04 0.00 0.00 61.00 60.48 1sxl s PRO 86 Cb 0.00 -2.00 -0.02 0.00 0.04 0.00 0.00 34.50 32.52 1sxl s PRO 86 CO 0.00 -2.09 -0.22 -0.48 0.04 0.00 0.00 177.00 174.25 1sxl s LEU 87 N -5.65 2.28 -0.63 -3.56 0.05 -1.25 -4.40 118.68 105.52 1sxl s LEU 87 Ca 0.71 -0.39 -0.28 0.00 0.05 0.00 0.00 54.13 54.22 1sxl s LEU 87 Cb -0.04 -1.42 0.03 0.00 -2.05 0.00 0.00 46.19 42.70 1sxl s LEU 87 CO 0.50 0.31 1.28 -0.44 -0.55 0.00 0.00 176.35 177.45 1sxl s SER 88 N -0.52 6.27 0.26 1.48 0.01 -0.68 -3.81 113.70 116.71 1sxl s SER 88 Ca 0.07 -0.03 -0.23 0.00 1.31 0.00 0.00 55.95 57.07 1sxl s SER 88 Cb -0.11 -2.55 -0.09 0.00 0.21 0.00 0.00 66.02 63.48 1sxl s SER 88 CO 0.01 -1.66 0.82 0.68 0.41 0.00 0.00 173.24 173.50 1sxl s VAL 89 N 5.52 4.40 0.00 3.43 -7.23 -1.26 -2.59 120.40 122.67 1sxl s VAL 89 Ca 0.43 1.55 0.00 0.00 -1.81 0.00 0.00 61.98 62.14 1sxl s VAL 89 Cb -0.08 -3.94 0.00 0.00 0.56 0.00 0.00 36.38 32.92 1sxl s VAL 89 CO 0.22 0.19 0.00 -2.11 -0.31 0.00 0.00 175.10 173.09 1sxl n ARG 90 N 0.69 0.00 -1.70 4.82 -4.01 -1.26 -4.91 116.66 110.29 1sxl n ARG 90 Ca -0.01 0.00 -0.42 0.00 -1.04 0.00 0.00 57.85 56.38 1sxl n ARG 90 Cb 0.50 0.00 -0.03 0.00 -3.04 0.00 0.00 32.46 29.90 1sxl n ARG 90 CO 0.00 0.00 0.00 -0.51 -3.04 0.00 0.00 177.63 174.08 1sxl s LEU 91 N 0.00 4.05 0.85 2.89 2.01 -1.26 -2.09 118.68 125.13 1sxl s LEU 91 Ca 0.00 2.30 -0.11 0.00 0.01 0.00 0.00 54.13 56.33 1sxl s LEU 91 Cb 0.00 -3.52 0.11 0.00 0.01 0.00 0.00 46.19 42.78 1sxl s LEU 91 CO 0.00 -1.38 1.10 0.00 1.01 0.00 0.00 176.35 177.08 1sxl s ALA 92 N 5.82 1.77 -1.17 4.21 0.00 -1.22 -4.88 121.76 126.28 1sxl s ALA 92 Ca 0.90 0.17 -0.07 0.00 0.00 0.00 0.00 51.96 52.97 1sxl s ALA 92 Cb -0.37 -3.27 0.24 0.00 0.00 0.00 0.00 23.12 19.72 1sxl s ALA 92 CO 0.38 -2.21 1.61 0.39 0.00 0.00 0.00 175.76 175.93 1sxl n GLU 93 N -3.82 4.01 0.00 0.00 -0.58 -1.26 -4.27 120.64 114.72 1sxl n GLU 93 Ca 0.08 -4.10 0.00 0.00 -0.42 0.00 0.00 57.16 52.73 1sxl n GLU 93 Cb 0.54 -2.71 0.00 0.00 -0.57 0.00 0.00 31.44 28.70 1sxl n GLU 93 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 1sxl n GLU 94 N 2.70 0.00 -2.32 3.49 2.13 -1.26 -5.13 120.64 120.25 1sxl n GLU 94 Ca 0.32 0.00 -0.02 0.00 0.66 0.00 0.00 57.16 58.12 1sxl n GLU 94 Cb 0.35 -0.24 -0.02 0.00 0.27 0.00 0.00 31.44 31.80 1sxl n GLU 94 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 1sxl n HIS 95 N -1.31 -4.19 -2.98 4.31 8.25 -1.26 -5.06 115.22 112.97 1sxl n HIS 95 Ca 0.00 2.47 0.04 0.00 -0.26 0.00 0.00 57.72 59.98 1sxl n HIS 95 Cb 0.00 -3.66 0.00 0.00 1.12 0.00 0.00 29.99 27.45 1sxl n HIS 95 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1sxl s GLY 96 N -0.56 -1.16 0.00 -1.41 0.00 -1.26 -5.09 107.32 97.85 1sxl s GLY 96 Ca -0.11 1.93 0.30 0.00 0.00 0.00 0.00 44.72 46.83 1sxl s GLY 96 CO 0.31 4.26 1.96 0.58 0.00 0.00 0.00 173.10 180.20