#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 5.64 0.00 7.83 7.64 -1.26 -4.91 113.62 128.56 1sxl n SER 2 Ca 0.00 -3.31 0.00 0.00 1.01 0.00 0.00 58.87 56.57 1sxl n SER 2 Cb 0.00 -1.18 0.00 0.00 -1.01 0.00 0.00 64.21 62.02 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 1.63 0.00 0.03 1.43 4.01 -1.26 -4.31 117.16 118.68 1sxl n TYR 3 Ca 0.26 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 58.00 1sxl n TYR 3 Cb 0.36 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.39 1sxl n TYR 3 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1sxl n ALA 4 N 0.44 0.00 -0.88 -0.72 0.00 -1.26 -5.14 120.51 112.95 1sxl n ALA 4 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.14 1sxl n ALA 4 Cb 0.00 0.00 0.24 0.00 0.00 0.00 0.00 19.45 19.69 1sxl n ALA 4 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1sxl s ARG 5 N -1.21 -1.23 0.32 0.00 1.81 -1.26 -5.04 118.95 112.33 1sxl s ARG 5 Ca 0.00 0.20 0.08 0.00 -1.72 0.00 0.00 55.73 54.29 1sxl s ARG 5 Cb 0.00 -1.57 -0.04 0.00 -0.45 0.00 0.00 34.95 32.89 1sxl s ARG 5 CO 0.00 -3.78 0.17 -1.25 -0.68 0.00 0.00 175.30 169.77 1sxl s PRO 6 N -5.12 2.51 0.02 3.54 0.04 -1.26 -4.82 135.00 129.91 1sxl s PRO 6 Ca 0.69 -1.42 0.00 0.00 0.04 0.00 0.00 61.00 60.31 1sxl s PRO 6 Cb -0.14 -2.29 0.00 0.00 0.04 0.00 0.00 34.50 32.11 1sxl s PRO 6 CO 0.58 0.16 0.01 0.41 0.04 0.00 0.00 177.00 178.20 1sxl n GLY 7 N -1.19 3.16 0.00 0.56 0.00 -1.26 -4.56 105.19 101.90 1sxl n GLY 7 Ca -0.03 -2.18 0.00 0.00 0.00 0.00 0.00 46.02 43.81 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 4.77 3.28 4.00 -0.02 0.00 -1.26 -3.65 105.19 112.31 1sxl n GLY 8 Ca -0.00 -0.06 -0.24 0.00 0.00 0.00 0.00 46.02 45.72 1sxl n GLY 8 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1sxl s GLU 9 N 3.97 1.47 -0.62 1.61 2.56 -1.26 -5.00 118.70 121.43 1sxl s GLU 9 Ca 0.00 -1.19 0.02 0.00 0.00 0.00 0.00 54.97 53.80 1sxl s GLU 9 Cb 0.00 -2.30 0.40 0.00 2.00 0.00 0.00 34.13 34.23 1sxl s GLU 9 CO 0.00 -1.61 1.59 0.43 -0.56 0.00 0.00 175.26 175.11 1sxl n SER 10 N -2.94 6.21 -4.32 -1.70 7.64 -1.26 -4.72 113.62 112.53 1sxl n SER 10 Ca 0.17 -3.78 -0.46 0.00 1.01 0.00 0.00 58.87 55.81 1sxl n SER 10 Cb 0.61 -0.75 -0.05 0.00 -1.01 0.00 0.00 64.21 63.01 1sxl n SER 10 CO 0.00 0.00 0.00 -0.51 -3.01 0.00 0.00 175.04 171.52 1sxl s ILE 11 N -5.18 5.22 0.00 0.44 -1.16 -1.26 -4.70 121.20 114.55 1sxl s ILE 11 Ca 0.52 -1.56 0.00 0.00 -0.51 0.00 0.00 60.65 59.10 1sxl s ILE 11 Cb 0.43 -4.37 0.00 0.00 0.61 0.00 0.00 42.46 39.13 1sxl s ILE 11 CO -0.24 -0.91 0.00 0.29 -2.81 0.00 0.00 174.94 171.27 1sxl n LYS 12 N 5.21 0.00 0.00 3.50 4.76 -1.26 -4.61 118.16 125.76 1sxl n LYS 12 Ca -0.11 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.33 1sxl n LYS 12 Cb 0.41 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.60 1sxl n LYS 12 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1sxl n ASP 13 N 3.87 0.00 0.00 4.39 8.00 -1.26 -4.61 116.55 126.94 1sxl n ASP 13 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1sxl n ASP 13 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1sxl n ASP 13 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1sxl n THR 14 N 0.00 0.00 -2.99 -3.53 -2.24 0.04 -4.70 114.28 100.86 1sxl n THR 14 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1sxl n THR 14 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1sxl n THR 14 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1sxl n ASN 15 N 0.00 0.00 -3.66 3.42 4.05 0.19 -3.89 115.26 115.37 1sxl n ASN 15 Ca 0.00 -0.76 -0.07 0.00 0.45 0.00 0.00 54.58 54.20 1sxl n ASN 15 Cb 0.00 0.00 -0.08 0.00 1.23 0.00 0.00 39.78 40.93 1sxl n ASN 15 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 177.26 173.99 1sxl s LEU 16 N 0.00 -0.74 -0.26 1.20 2.96 0.59 -4.16 118.68 118.28 1sxl s LEU 16 Ca 0.00 1.17 -0.05 0.00 -0.22 0.00 0.00 54.13 55.03 1sxl s LEU 16 Cb 0.00 1.66 0.00 0.00 0.50 0.00 0.00 46.19 48.35 1sxl s LEU 16 CO 0.00 -0.23 0.02 -0.47 -1.32 0.00 0.00 176.35 174.35 1sxl s TYR 17 N 2.52 3.07 -0.12 5.38 5.04 -0.86 -0.12 117.35 132.25 1sxl s TYR 17 Ca -0.04 -0.97 -0.01 0.00 -2.44 0.00 0.00 57.07 53.61 1sxl s TYR 17 Cb -0.11 -2.18 -0.02 0.00 0.35 0.00 0.00 41.96 40.00 1sxl s TYR 17 CO -0.15 -0.56 -0.10 0.14 -1.34 0.00 0.00 175.55 173.54 1sxl s VAL 18 N 1.48 3.34 0.00 3.14 -7.23 -0.54 -1.30 120.40 119.29 1sxl s VAL 18 Ca 0.04 -0.57 0.00 0.00 -1.81 0.00 0.00 61.98 59.64 1sxl s VAL 18 Cb -0.16 -2.41 0.00 0.00 0.56 0.00 0.00 36.38 34.37 1sxl s VAL 18 CO -0.00 0.53 0.00 1.07 -0.31 0.00 0.00 175.10 176.39 1sxl n THR 19 N 3.30 0.00 0.00 5.32 5.66 -0.85 -1.02 114.28 126.68 1sxl n THR 19 Ca -0.18 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.82 1sxl n THR 19 Cb 0.53 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.31 1sxl n THR 19 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 1sxl n ASN 20 N -1.11 0.00 -4.20 1.09 2.85 -1.26 -1.73 115.26 110.89 1sxl n ASN 20 Ca 0.00 0.00 -0.57 0.00 -0.11 0.00 0.00 54.58 53.90 1sxl n ASN 20 Cb 0.00 0.00 -0.08 0.00 1.24 0.00 0.00 39.78 40.94 1sxl n ASN 20 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1sxl n LEU 21 N 0.00 0.39 -3.59 1.20 -0.00 -1.19 -4.84 117.00 108.97 1sxl n LEU 21 Ca 0.00 1.07 -0.37 0.00 -0.00 0.00 0.00 56.01 56.71 1sxl n LEU 21 Cb 0.00 -0.83 -0.01 0.00 -0.00 0.00 0.00 43.42 42.58 1sxl n LEU 21 CO 0.00 -1.40 0.93 -0.81 -0.00 0.00 0.00 177.39 176.11 1sxl n PRO 22 N 2.18 4.38 -3.45 1.47 -0.04 -1.26 -4.69 135.00 133.59 1sxl n PRO 22 Ca 0.22 -4.68 -0.18 0.00 -0.04 0.00 0.00 63.50 58.82 1sxl n PRO 22 Cb 0.03 -2.41 0.03 0.00 -0.04 0.00 0.00 33.50 31.10 1sxl n PRO 22 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1sxl n ARG 23 N 0.43 -1.44 0.00 0.54 5.12 -1.26 -4.92 116.66 115.13 1sxl n ARG 23 Ca 0.36 0.89 0.00 0.00 -1.93 0.00 0.00 57.85 57.17 1sxl n ARG 23 Cb 0.32 -4.50 0.00 0.00 -1.16 0.00 0.00 32.46 27.13 1sxl n ARG 23 CO 0.00 0.00 0.00 2.41 -1.93 0.00 0.00 177.63 178.11 1sxl n THR 24 N -3.01 0.00 -4.03 0.55 -1.04 -1.26 -5.07 114.28 100.42 1sxl n THR 24 Ca -0.10 0.00 -0.28 0.00 -2.04 0.00 0.00 64.05 61.63 1sxl n THR 24 Cb 0.59 -0.19 -0.01 0.00 -1.82 0.00 0.00 70.33 68.89 1sxl n THR 24 CO 0.00 0.00 0.00 0.27 -0.64 0.00 0.00 175.07 174.70 1sxl s ILE 25 N -1.70 1.48 0.16 12.58 -4.36 -1.26 -4.92 121.20 123.18 1sxl s ILE 25 Ca 0.00 -1.57 0.09 0.00 -0.26 0.00 0.00 60.65 58.91 1sxl s ILE 25 Cb 0.00 -2.04 -0.04 0.00 1.25 0.00 0.00 42.46 41.62 1sxl s ILE 25 CO 0.00 0.00 -0.11 0.42 0.24 0.00 0.00 174.94 175.49 1sxl s THR 26 N -2.82 3.18 0.03 8.37 -4.23 -1.26 -5.05 115.64 113.87 1sxl s THR 26 Ca 0.28 -1.57 -0.31 0.00 -1.18 0.00 0.00 61.69 58.91 1sxl s THR 26 Cb -0.02 -2.55 -0.17 0.00 1.34 0.00 0.00 72.50 71.10 1sxl s THR 26 CO 0.18 -0.04 1.30 0.44 -0.54 0.00 0.00 174.62 175.95 1sxl h ASP 27 N 3.14 -0.95 -1.07 3.99 3.32 -1.99 -1.99 116.42 120.86 1sxl h ASP 27 Ca -0.48 0.03 0.31 0.00 0.02 0.00 0.00 57.03 56.92 1sxl h ASP 27 Cb 1.19 0.25 -0.04 0.00 0.22 0.00 0.00 39.33 40.95 1sxl h ASP 27 CO 0.53 -0.60 1.07 -0.78 -1.72 0.00 0.00 179.24 177.74 1sxl h ASP 28 N -1.29 0.00 0.26 6.45 3.58 -1.96 -0.22 116.42 123.24 1sxl h ASP 28 Ca -0.12 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.32 1sxl h ASP 28 Cb 0.86 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.92 1sxl h ASP 28 CO 0.19 0.00 -0.12 -0.61 -2.88 0.00 0.00 179.24 175.81 1sxl h GLN 29 N 0.00 -0.34 -0.67 0.28 4.15 -1.78 -3.06 115.11 113.70 1sxl h GLN 29 Ca 0.51 0.02 0.19 0.00 0.77 0.00 0.00 58.65 60.15 1sxl h GLN 29 Cb 2.65 0.08 -0.03 0.00 0.21 0.00 0.00 27.48 30.39 1sxl h GLN 29 CO -0.01 -0.22 0.85 -0.07 -1.93 0.00 0.00 178.83 177.45 1sxl h LEU 30 N -0.75 0.00 0.70 -2.39 4.07 -0.76 0.12 115.31 116.31 1sxl h LEU 30 Ca -0.04 0.00 -0.03 0.00 0.08 0.00 0.00 57.88 57.89 1sxl h LEU 30 Cb 0.27 0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.01 1sxl h LEU 30 CO 0.06 0.00 -0.34 -0.78 -1.08 0.00 0.00 178.44 176.30 1sxl h ASP 31 N 0.00 -0.80 0.27 -0.43 1.82 -1.33 -2.09 116.42 113.85 1sxl h ASP 31 Ca 0.32 0.01 0.00 0.00 -0.39 0.00 0.00 57.03 56.96 1sxl h ASP 31 Cb 2.01 0.21 0.00 0.00 0.68 0.00 0.00 39.33 42.23 1sxl h ASP 31 CO -0.00 -0.44 0.00 0.41 -1.61 0.00 0.00 179.24 177.60 1sxl n THR 32 N -5.42 1.26 0.00 2.25 -1.04 0.32 0.01 114.28 111.66 1sxl n THR 32 Ca -0.12 0.46 -0.17 0.00 -2.04 0.00 0.00 64.05 62.17 1sxl n THR 32 Cb 0.39 -1.39 -0.13 0.00 -1.82 0.00 0.00 70.33 67.38 1sxl n THR 32 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 1sxl h ILE 33 N 0.00 1.53 -0.86 12.58 1.08 -0.80 -3.40 117.51 127.63 1sxl h ILE 33 Ca 0.00 -2.24 -0.34 0.00 -0.39 0.00 0.00 64.86 61.89 1sxl h ILE 33 Cb 0.13 2.94 -0.37 0.00 -3.07 0.00 0.00 36.82 36.45 1sxl h ILE 33 CO 0.00 0.63 -1.10 2.22 -0.69 0.00 0.00 178.15 179.21 1sxl n PHE 34 N -4.30 0.73 -1.46 1.37 -1.74 -0.83 -4.91 117.46 106.32 1sxl n PHE 34 Ca -0.11 -2.66 -0.27 0.00 -0.56 0.00 0.00 57.45 53.85 1sxl n PHE 34 Cb 0.66 -0.14 0.10 0.00 1.52 0.00 0.00 39.48 41.63 1sxl n PHE 34 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 1sxl n GLY 35 N -0.15 5.58 0.14 4.97 0.00 0.10 -4.51 105.19 111.33 1sxl n GLY 35 Ca 0.07 -2.00 -0.24 0.00 0.00 0.00 0.00 46.02 43.86 1sxl n GLY 35 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1sxl n LYS 36 N -0.95 0.61 0.00 1.61 5.02 -1.26 -4.69 118.16 118.50 1sxl n LYS 36 Ca 0.55 0.20 0.00 0.00 -2.02 0.00 0.00 58.31 57.04 1sxl n LYS 36 Cb 0.96 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 34.48 1sxl n LYS 36 CO 0.00 0.00 0.00 2.48 -0.52 0.00 0.00 177.40 179.36 1sxl n TYR 37 N -3.74 0.00 -2.86 2.13 0.18 -1.26 -4.81 117.16 106.80 1sxl n TYR 37 Ca -0.50 0.00 -0.41 0.00 1.88 0.00 0.00 57.90 58.87 1sxl n TYR 37 Cb 0.93 0.00 -0.04 0.00 -0.38 0.00 0.00 39.34 39.85 1sxl n TYR 37 CO 0.00 0.00 0.00 0.20 -2.08 0.00 0.00 176.86 174.98 1sxl s GLY 38 N 0.00 2.83 -1.34 -7.48 0.00 -1.26 -4.93 107.32 95.14 1sxl s GLY 38 Ca 0.00 0.39 -0.17 0.00 0.00 0.00 0.00 44.72 44.94 1sxl s GLY 38 CO 0.00 1.39 1.97 -1.14 0.00 0.00 0.00 173.10 175.32 1sxl n SER 39 N 3.45 4.27 -0.38 1.64 3.41 -1.26 -4.61 113.62 120.13 1sxl n SER 39 Ca 0.02 -2.86 0.00 0.00 -0.26 0.00 0.00 58.87 55.76 1sxl n SER 39 Cb 0.51 -1.68 0.00 0.00 -0.26 0.00 0.00 64.21 62.78 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 5.90 -0.02 1.22 -1.33 2.08 -1.26 -4.71 119.36 121.23 1sxl n ILE 40 Ca 0.50 0.00 0.12 0.00 0.56 0.00 0.00 62.75 63.93 1sxl n ILE 40 Cb 0.43 -0.29 0.63 0.00 -0.75 0.00 0.00 39.64 39.65 1sxl n ILE 40 CO 0.00 0.00 0.00 0.52 0.56 0.00 0.00 176.55 177.63 1sxl n VAL 41 N 1.55 0.19 0.00 1.39 0.31 0.55 -4.64 118.33 117.68 1sxl n VAL 41 Ca 0.00 0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.38 1sxl n VAL 41 Cb 0.00 -0.66 0.00 0.00 -0.91 0.00 0.00 33.84 32.27 1sxl n VAL 41 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 1sxl n GLN 42 N -1.22 0.00 -2.84 5.55 -0.06 -1.25 -4.77 117.38 112.79 1sxl n GLN 42 Ca 0.13 0.00 -0.43 0.00 -2.00 0.00 0.00 57.00 54.70 1sxl n GLN 42 Cb 0.16 0.00 -0.02 0.00 -4.06 0.00 0.00 30.24 26.33 1sxl n GLN 42 CO 0.00 0.00 0.00 0.21 -0.20 0.00 0.00 177.06 177.07 1sxl s LYS 43 N 0.00 3.74 0.02 3.69 2.20 -1.26 -1.64 119.74 126.48 1sxl s LYS 43 Ca 0.00 -1.85 -0.02 0.00 -0.36 0.00 0.00 55.97 53.74 1sxl s LYS 43 Cb 0.00 -5.07 -0.04 0.00 -1.51 0.00 0.00 37.83 31.21 1sxl s LYS 43 CO 0.00 -1.88 0.20 1.21 -0.36 0.00 0.00 175.35 174.52 1sxl s ASN 44 N 3.74 6.38 -0.27 1.43 3.84 -1.08 -4.92 114.94 124.06 1sxl s ASN 44 Ca 0.39 0.34 -0.25 0.00 0.21 0.00 0.00 52.86 53.55 1sxl s ASN 44 Cb -0.03 -2.00 0.08 0.00 -0.55 0.00 0.00 41.25 38.76 1sxl s ASN 44 CO -0.06 0.23 0.78 -0.51 -2.79 0.00 0.00 177.10 174.74 1sxl s ILE 45 N -1.39 0.00 0.03 -5.21 2.07 -1.26 -0.75 121.20 114.69 1sxl s ILE 45 Ca 0.30 0.00 -0.28 0.00 -1.41 0.00 0.00 60.65 59.27 1sxl s ILE 45 Cb -0.13 -1.00 0.08 0.00 0.13 0.00 0.00 42.46 41.54 1sxl s ILE 45 CO 0.22 0.00 0.70 -1.48 -1.91 0.00 0.00 174.94 172.47 1sxl s LEU 46 N 0.34 -0.57 0.00 8.50 0.05 -0.64 -4.97 118.68 121.39 1sxl s LEU 46 Ca 0.00 0.33 0.00 0.00 0.05 0.00 0.00 54.13 54.51 1sxl s LEU 46 Cb -0.05 2.45 0.00 0.00 -2.05 0.00 0.00 46.19 46.54 1sxl s LEU 46 CO -0.00 -0.73 0.00 -1.14 -0.55 0.00 0.00 176.35 173.93 1sxl n ARG 47 N 0.25 0.00 -2.91 1.48 0.00 -1.26 -1.26 116.66 112.97 1sxl n ARG 47 Ca -0.16 0.00 -0.20 0.00 -0.00 0.00 0.00 57.85 57.49 1sxl n ARG 47 Cb 0.61 0.00 0.05 0.00 0.00 0.00 0.00 32.46 33.12 1sxl n ARG 47 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.63 177.79 1sxl s ASP 48 N 0.68 5.14 -0.13 6.15 1.47 -1.26 -4.83 116.67 123.89 1sxl s ASP 48 Ca 0.00 -0.56 -0.15 0.00 1.18 0.00 0.00 52.55 53.03 1sxl s ASP 48 Cb 0.00 -0.15 -0.05 0.00 -0.34 0.00 0.00 42.92 42.38 1sxl s ASP 48 CO 0.00 -1.25 -0.29 0.29 0.68 0.00 0.00 175.17 174.60 1sxl n LYS 49 N -2.25 0.44 0.04 2.11 4.76 -1.26 -4.97 118.16 117.03 1sxl n LYS 49 Ca 0.13 0.17 0.00 0.00 -2.87 0.00 0.00 58.31 55.74 1sxl n LYS 49 Cb 0.60 -1.27 0.00 0.00 -1.84 0.00 0.00 35.03 32.53 1sxl n LYS 49 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1sxl n LEU 50 N -4.28 0.60 -3.97 -0.35 4.77 -1.26 -5.10 117.00 107.41 1sxl n LEU 50 Ca -0.13 0.13 -0.09 0.00 -0.03 0.00 0.00 56.01 55.89 1sxl n LEU 50 Cb 0.44 -0.14 -0.11 0.00 -2.33 0.00 0.00 43.42 41.28 1sxl n LEU 50 CO 0.17 -0.54 -0.35 0.42 -1.33 0.00 0.00 177.39 175.76 1sxl s THR 51 N -2.00 0.11 0.00 -5.08 -4.23 -1.26 -4.96 115.64 98.22 1sxl s THR 51 Ca 0.00 -0.91 0.00 0.00 -1.18 0.00 0.00 61.69 59.60 1sxl s THR 51 Cb 0.00 -0.28 0.00 0.00 1.34 0.00 0.00 72.50 73.56 1sxl s THR 51 CO 0.00 -0.50 0.00 0.61 -0.54 0.00 0.00 174.62 174.19 1sxl n GLY 52 N 1.57 2.14 3.35 3.99 0.00 -1.26 -5.01 105.19 109.97 1sxl n GLY 52 Ca -0.24 -0.61 -0.20 0.00 0.00 0.00 0.00 46.02 44.97 1sxl n GLY 52 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1sxl n ARG 53 N 0.00 -1.17 -0.01 1.61 1.85 -1.26 -4.90 116.66 112.79 1sxl n ARG 53 Ca 0.00 1.14 -0.18 0.00 -1.00 0.00 0.00 57.85 57.81 1sxl n ARG 53 Cb 0.00 -1.60 -0.14 0.00 -1.05 0.00 0.00 32.46 29.67 1sxl n ARG 53 CO 0.00 0.00 0.00 -0.35 -0.01 0.00 0.00 177.63 177.27 1sxl n PRO 54 N 0.52 0.73 0.10 2.89 -0.04 -1.26 -4.87 135.00 133.07 1sxl n PRO 54 Ca -0.04 0.26 0.00 0.00 -0.04 0.00 0.00 63.50 63.68 1sxl n PRO 54 Cb 0.59 -1.72 0.00 0.00 -0.04 0.00 0.00 33.50 32.33 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 -3.36 0.00 -2.98 0.54 3.00 -1.26 -5.10 116.66 107.50 1sxl n ARG 55 Ca -0.29 0.00 -0.07 0.00 -0.01 0.00 0.00 57.85 57.48 1sxl n ARG 55 Cb 1.05 -0.22 0.01 0.00 0.00 0.00 0.00 32.46 33.29 1sxl n ARG 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1sxl n GLY 56 N 2.41 -1.95 3.68 -0.13 0.00 -1.25 -5.03 105.19 102.93 1sxl n GLY 56 Ca 0.00 0.60 -0.08 0.00 0.00 0.00 0.00 46.02 46.53 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 -1.63 0.00 0.08 1.61 -7.23 -0.39 -4.58 120.40 108.26 1sxl s VAL 57 Ca 0.10 -0.57 0.06 0.00 -1.81 0.00 0.00 61.98 59.76 1sxl s VAL 57 Cb -0.02 -1.60 -0.03 0.00 0.56 0.00 0.00 36.38 35.29 1sxl s VAL 57 CO 0.58 0.00 -0.15 0.00 -0.31 0.00 0.00 175.10 175.22 1sxl s ALA 58 N -3.76 1.31 -0.31 1.32 0.00 -0.19 -1.62 121.76 118.51 1sxl s ALA 58 Ca 0.07 -1.06 0.01 0.00 0.00 0.00 0.00 51.96 50.98 1sxl s ALA 58 Cb -0.04 -0.12 0.09 0.00 0.00 0.00 0.00 23.12 23.05 1sxl s ALA 58 CO -0.01 0.20 0.06 -0.06 0.00 0.00 0.00 175.76 175.94 1sxl s PHE 59 N -1.30 2.59 -0.55 0.00 0.40 0.07 -1.47 117.98 117.73 1sxl s PHE 59 Ca 0.00 -2.21 -0.27 0.00 -0.60 0.00 0.00 56.93 53.85 1sxl s PHE 59 Cb -0.10 -2.15 0.03 0.00 0.51 0.00 0.00 43.02 41.31 1sxl s PHE 59 CO 0.03 -0.89 1.11 0.54 0.70 0.00 0.00 175.22 176.71 1sxl s VAL 60 N 1.31 4.17 -1.06 -0.44 0.11 0.83 -2.63 120.40 122.68 1sxl s VAL 60 Ca 0.08 0.82 -0.22 0.00 -2.93 0.00 0.00 61.98 59.72 1sxl s VAL 60 Cb -0.18 -4.64 0.02 0.00 -1.53 0.00 0.00 36.38 30.05 1sxl s VAL 60 CO -0.16 -1.19 1.65 -0.13 -3.33 0.00 0.00 175.10 171.95 1sxl s ARG 61 N 4.55 3.36 -0.36 1.54 0.52 -0.65 -0.30 118.95 127.61 1sxl s ARG 61 Ca 0.41 -1.12 -0.17 0.00 -0.52 0.00 0.00 55.73 54.32 1sxl s ARG 61 Cb -0.09 -5.32 -0.00 0.00 0.52 0.00 0.00 34.95 30.06 1sxl s ARG 61 CO 0.25 -2.62 0.48 -0.47 0.02 0.00 0.00 175.30 172.96 1sxl s TYR 62 N 6.43 3.18 0.00 -0.53 6.14 -1.26 -0.33 117.35 130.97 1sxl s TYR 62 Ca 0.55 0.06 0.00 0.00 0.64 0.00 0.00 57.07 58.32 1sxl s TYR 62 Cb -0.01 -2.88 0.00 0.00 0.42 0.00 0.00 41.96 39.49 1sxl s TYR 62 CO -0.03 -0.55 0.00 0.09 0.64 0.00 0.00 175.55 175.71 1sxl n ASN 63 N 5.67 0.00 0.00 4.32 5.03 -1.25 0.57 115.26 129.59 1sxl n ASN 63 Ca -0.06 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.39 1sxl n ASN 63 Cb 0.49 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.25 1sxl n ASN 63 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 1sxl n LYS 64 N 0.00 0.00 0.40 3.52 4.76 -1.26 -0.78 118.16 124.79 1sxl n LYS 64 Ca 0.00 0.00 -0.16 0.00 -2.87 0.00 0.00 58.31 55.28 1sxl n LYS 64 Cb 0.00 0.00 -0.07 0.00 -1.84 0.00 0.00 35.03 33.12 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 0.08 -0.98 0.26 1.97 -0.00 -1.90 0.83 114.38 114.64 1sxl h ARG 65 Ca 0.00 0.07 -0.01 0.00 -0.50 0.00 0.00 59.98 59.54 1sxl h ARG 65 Cb 0.00 0.22 -0.00 0.00 0.00 0.00 0.00 29.97 30.19 1sxl h ARG 65 CO 0.00 -0.65 -0.16 1.49 0.00 0.00 0.00 179.97 180.65 1sxl h GLU 66 N -1.11 -0.39 0.00 0.04 4.57 -2.00 -0.72 114.58 114.97 1sxl h GLU 66 Ca -0.10 0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.10 1sxl h GLU 66 Cb 0.78 0.09 0.00 0.00 -0.16 0.00 0.00 28.75 29.46 1sxl h GLU 66 CO 0.17 -0.26 0.00 0.39 -1.18 0.00 0.00 179.01 178.13 1sxl n GLU 67 N -5.28 0.03 0.04 1.92 1.02 -1.22 -1.06 120.64 116.10 1sxl n GLU 67 Ca -0.09 0.36 -0.16 0.00 -0.02 0.00 0.00 57.16 57.24 1sxl n GLU 67 Cb 0.19 -1.58 -0.06 0.00 -0.02 0.00 0.00 31.44 29.98 1sxl n GLU 67 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1sxl h ALA 68 N 2.32 0.30 0.00 0.62 0.00 0.22 -1.82 119.26 120.90 1sxl h ALA 68 Ca 0.00 -0.67 -0.01 0.00 0.00 0.00 0.00 54.91 54.23 1sxl h ALA 68 Cb 0.19 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 1sxl h ALA 68 CO 0.00 0.74 -0.04 0.37 0.00 0.00 0.00 179.25 180.32 1sxl h GLN 69 N 0.35 0.00 0.00 0.00 4.15 -0.64 -2.14 115.11 116.82 1sxl h GLN 69 Ca -0.09 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.33 1sxl h GLN 69 Cb 1.56 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.25 1sxl h GLN 69 CO 0.17 0.04 0.00 0.39 -1.93 0.00 0.00 178.83 177.50 1sxl n GLU 70 N -3.16 0.00 0.16 1.69 1.02 -0.71 -2.36 120.64 117.29 1sxl n GLU 70 Ca 0.00 0.23 0.18 0.00 -0.02 0.00 0.00 57.16 57.55 1sxl n GLU 70 Cb 0.31 -1.16 0.66 0.00 -0.02 0.00 0.00 31.44 31.22 1sxl n GLU 70 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1sxl h ALA 71 N -2.00 1.94 0.07 0.62 0.00 -1.51 0.35 119.26 118.73 1sxl h ALA 71 Ca 0.00 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.91 1sxl h ALA 71 Cb 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1sxl h ALA 71 CO 0.00 -0.72 -0.10 0.82 0.00 0.00 0.00 179.25 179.25 1sxl h ILE 72 N 0.00 0.77 0.00 0.00 1.08 -1.02 0.15 117.51 118.48 1sxl h ILE 72 Ca 0.14 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.61 1sxl h ILE 72 Cb 1.27 0.77 -0.00 0.00 -3.07 0.00 0.00 36.82 35.78 1sxl h ILE 72 CO -0.00 0.00 -0.35 -1.28 -0.69 0.00 0.00 178.15 175.83 1sxl h SER 73 N -0.21 0.00 -0.77 1.72 0.87 -0.03 -1.98 113.55 113.15 1sxl h SER 73 Ca 0.01 -0.04 0.14 0.00 -1.23 0.00 0.00 61.79 60.68 1sxl h SER 73 Cb 0.21 0.00 -0.10 0.00 -0.44 0.00 0.00 62.40 62.08 1sxl h SER 73 CO -0.05 0.70 0.33 0.00 -0.53 0.00 0.00 176.83 177.28 1sxl h ALA 74 N -0.96 1.11 0.19 6.23 0.00 -1.04 -1.74 119.26 123.04 1sxl h ALA 74 Ca -0.01 0.11 -0.31 0.00 0.00 0.00 0.00 54.91 54.70 1sxl h ALA 74 Cb 0.37 0.07 0.03 0.00 0.00 0.00 0.00 17.79 18.26 1sxl h ALA 74 CO -0.01 -0.19 -1.36 1.25 0.00 0.00 0.00 179.25 178.94 1sxl h LEU 75 N 0.47 0.77 -8.70 0.00 5.85 -0.85 -3.45 115.31 109.40 1sxl h LEU 75 Ca 0.43 -0.78 -0.83 0.00 0.84 0.00 0.00 57.88 57.54 1sxl h LEU 75 Cb 0.64 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 1sxl h LEU 75 CO -0.40 1.60 0.92 -3.20 -0.34 0.00 0.00 178.44 177.02 1sxl n ASN 76 N -3.70 1.19 -2.38 1.25 2.85 -0.65 -2.17 115.26 111.65 1sxl n ASN 76 Ca -0.14 1.00 -0.04 0.00 -0.11 0.00 0.00 54.58 55.29 1sxl n ASN 76 Cb 1.05 -0.92 0.01 0.00 1.24 0.00 0.00 39.78 41.16 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 5.34 -5.78 -2.53 1.20 5.03 -1.24 -4.85 115.26 112.42 1sxl n ASN 77 Ca 0.38 0.28 -0.25 0.00 0.87 0.00 0.00 54.58 55.86 1sxl n ASN 77 Cb -0.03 -3.79 -0.09 0.00 -1.02 0.00 0.00 39.78 34.85 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 -0.57 3.55 -3.62 2.41 3.14 -0.92 -4.83 118.33 117.50 1sxl n VAL 78 Ca 0.06 -2.64 0.02 0.00 -2.96 0.00 0.00 64.34 58.82 1sxl n VAL 78 Cb 0.33 -1.88 -0.00 0.00 -1.06 0.00 0.00 33.84 31.23 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 -0.65 0.00 -0.26 1.55 -4.36 -1.26 -5.00 121.20 111.22 1sxl s ILE 79 Ca 0.62 -0.18 -0.01 0.00 -0.26 0.00 0.00 60.65 60.82 1sxl s ILE 79 Cb 0.32 -2.02 0.19 0.00 1.25 0.00 0.00 42.46 42.19 1sxl s ILE 79 CO -0.12 0.00 1.96 -0.81 0.24 0.00 0.00 174.94 176.21 1sxl n PRO 80 N -0.50 1.66 -3.58 0.37 -0.04 -1.26 -4.84 135.00 126.80 1sxl n PRO 80 Ca -0.09 -1.30 -0.19 0.00 -0.04 0.00 0.00 63.50 61.88 1sxl n PRO 80 Cb 0.63 -1.51 0.00 0.00 -0.04 0.00 0.00 33.50 32.58 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 0.47 -1.40 -1.20 0.54 -0.58 -1.26 -4.91 120.64 112.31 1sxl n GLU 81 Ca 0.25 0.92 0.01 0.00 -0.42 0.00 0.00 57.16 57.92 1sxl n GLU 81 Cb 0.60 -3.45 0.00 0.00 -0.57 0.00 0.00 31.44 28.02 1sxl n GLU 81 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1sxl n GLY 82 N -1.71 0.83 0.00 0.62 0.00 -1.26 -5.00 105.19 98.67 1sxl n GLY 82 Ca -0.20 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.30 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 0.31 3.59 0.30 -0.02 0.00 -1.26 -4.91 105.19 103.19 1sxl n GLY 83 Ca -0.01 -0.84 0.11 0.00 0.00 0.00 0.00 46.02 45.28 1sxl n GLY 83 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1sxl h SER 84 N 0.00 0.00 -4.05 1.61 0.02 -1.94 -3.47 113.55 105.72 1sxl h SER 84 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1sxl h SER 84 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1sxl h SER 84 CO 0.00 0.00 -0.77 0.00 -1.14 0.00 0.00 176.83 174.92 1sxl n GLN 85 N -2.65 -3.84 -2.15 3.45 3.00 -1.26 -4.55 117.38 109.38 1sxl n GLN 85 Ca -0.01 2.87 -0.27 0.00 -0.01 0.00 0.00 57.00 59.57 1sxl n GLN 85 Cb 0.46 -3.26 0.18 0.00 0.00 0.00 0.00 30.24 27.62 1sxl n GLN 85 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.06 176.71 1sxl n PRO 86 N -1.03 -0.91 -4.46 -1.09 -0.04 -1.26 -4.63 135.00 121.59 1sxl n PRO 86 Ca 0.00 -2.31 -0.31 0.00 -0.04 0.00 0.00 63.50 60.84 1sxl n PRO 86 Cb 0.03 -1.14 -0.16 0.00 -0.04 0.00 0.00 33.50 32.19 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 1.95 -0.80 1.53 0.05 -1.26 -3.14 118.68 117.00 1sxl s LEU 87 Ca 0.73 -0.55 -0.26 0.00 0.05 0.00 0.00 54.13 54.11 1sxl s LEU 87 Cb -0.03 -1.31 0.03 0.00 -2.05 0.00 0.00 46.19 42.83 1sxl s LEU 87 CO 0.50 0.03 1.41 -0.55 -0.55 0.00 0.00 176.35 177.20 1sxl s SER 88 N 1.01 6.11 0.72 1.48 0.15 -0.71 -3.69 113.70 118.77 1sxl s SER 88 Ca -0.04 -0.63 -0.11 0.00 0.70 0.00 0.00 55.95 55.87 1sxl s SER 88 Cb -0.15 -2.56 0.02 0.00 -1.71 0.00 0.00 66.02 61.63 1sxl s SER 88 CO -0.04 -1.85 1.09 0.68 1.20 0.00 0.00 173.24 174.31 1sxl s VAL 89 N 6.08 3.58 0.00 4.45 -7.23 -1.23 -2.02 120.40 124.03 1sxl s VAL 89 Ca 0.43 0.51 0.00 0.00 -1.81 0.00 0.00 61.98 61.11 1sxl s VAL 89 Cb -0.06 -3.42 0.00 0.00 0.56 0.00 0.00 36.38 33.46 1sxl s VAL 89 CO 0.09 -0.67 0.00 -2.11 -0.31 0.00 0.00 175.10 172.10 1sxl n ARG 90 N -3.10 0.00 -3.65 4.82 1.85 -0.42 -4.85 116.66 111.31 1sxl n ARG 90 Ca 0.07 0.00 -0.14 0.00 -1.00 0.00 0.00 57.85 56.78 1sxl n ARG 90 Cb 0.56 0.00 -0.13 0.00 -1.05 0.00 0.00 32.46 31.84 1sxl n ARG 90 CO 0.00 0.00 0.00 -1.17 -0.01 0.00 0.00 177.63 176.45 1sxl s LEU 91 N 0.00 -0.29 0.00 2.89 1.98 -1.26 -2.03 118.68 119.97 1sxl s LEU 91 Ca 0.00 0.55 0.01 0.00 -2.89 0.00 0.00 54.13 51.79 1sxl s LEU 91 Cb 0.00 0.68 -0.00 0.00 0.66 0.00 0.00 46.19 47.53 1sxl s LEU 91 CO 0.00 -0.24 0.18 0.00 -1.89 0.00 0.00 176.35 174.39 1sxl n ALA 92 N 5.35 0.01 -2.83 5.97 0.00 -1.24 -4.27 120.51 123.50 1sxl n ALA 92 Ca -0.06 -0.73 0.01 0.00 0.00 0.00 0.00 53.44 52.66 1sxl n ALA 92 Cb 0.50 0.59 0.01 0.00 0.00 0.00 0.00 19.45 20.54 1sxl n ALA 92 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1sxl s GLU 93 N -2.42 0.33 0.53 0.00 -1.05 -1.26 -4.52 118.70 110.31 1sxl s GLU 93 Ca 0.14 -0.16 0.37 0.00 -0.15 0.00 0.00 54.97 55.17 1sxl s GLU 93 Cb 0.00 0.03 1.54 0.00 -0.44 0.00 0.00 34.13 35.25 1sxl s GLU 93 CO 0.10 -0.47 1.75 1.49 0.95 0.00 0.00 175.26 179.08 1sxl h GLU 94 N 5.52 0.04 0.00 -4.83 4.81 -2.00 -3.45 114.58 114.68 1sxl h GLU 94 Ca -0.01 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1sxl h GLU 94 Cb 1.21 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.58 1sxl h GLU 94 CO -0.04 0.03 0.00 -2.39 -0.73 0.00 0.00 179.01 175.87 1sxl n HIS 95 N -4.21 0.00 -2.57 0.92 1.44 -1.26 -5.07 115.22 104.46 1sxl n HIS 95 Ca 0.30 0.00 -0.41 0.00 -2.01 0.00 0.00 57.72 55.59 1sxl n HIS 95 Cb 1.36 0.00 -0.03 0.00 0.12 0.00 0.00 29.99 31.44 1sxl n HIS 95 CO 0.00 0.00 0.00 0.20 -2.81 0.00 0.00 176.34 173.73 1sxl s GLY 96 N -0.12 1.09 0.00 -1.39 0.00 -1.26 -4.89 107.32 100.75 1sxl s GLY 96 Ca 0.00 -1.82 0.30 0.00 0.00 0.00 0.00 44.72 43.20 1sxl s GLY 96 CO 0.00 2.63 1.94 0.28 0.00 0.00 0.00 173.10 177.95