#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 5.12 0.00 3.17 1.04 -1.26 -5.04 113.70 116.72 1sxl s SER 2 Ca 0.00 -0.84 0.01 0.00 0.48 0.00 0.00 55.95 55.60 1sxl s SER 2 Cb 0.00 0.24 0.01 0.00 0.10 0.00 0.00 66.02 66.37 1sxl s SER 2 CO 0.00 -1.29 0.72 0.00 0.98 0.00 0.00 173.24 173.65 1sxl n TYR 3 N -2.19 0.00 -0.07 5.02 9.36 -1.26 -4.96 117.16 123.06 1sxl n TYR 3 Ca 0.14 -0.04 -0.07 0.00 3.32 0.00 0.00 57.90 61.26 1sxl n TYR 3 Cb 0.62 0.14 -0.03 0.00 -0.63 0.00 0.00 39.34 39.44 1sxl n TYR 3 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1sxl h ALA 4 N 0.03 0.04 -2.79 2.98 0.00 -2.06 -3.46 119.26 113.99 1sxl h ALA 4 Ca -0.03 -0.57 -0.52 0.00 0.00 0.00 0.00 54.91 53.79 1sxl h ALA 4 Cb 1.19 0.49 0.07 0.00 0.00 0.00 0.00 17.79 19.54 1sxl h ALA 4 CO -0.01 0.49 0.54 1.03 0.00 0.00 0.00 179.25 181.30 1sxl s ARG 5 N -2.20 3.90 0.00 0.00 0.52 -1.26 -4.91 118.95 115.00 1sxl s ARG 5 Ca -0.16 1.96 0.25 0.00 -0.52 0.00 0.00 55.73 57.27 1sxl s ARG 5 Cb 0.02 -2.62 0.68 0.00 0.52 0.00 0.00 34.95 33.55 1sxl s ARG 5 CO 0.26 -0.49 1.53 -0.35 0.02 0.00 0.00 175.30 176.28 1sxl n PRO 6 N -0.10 1.96 0.00 3.54 -0.04 -1.26 -5.05 135.00 134.05 1sxl n PRO 6 Ca 0.05 -1.41 0.00 0.00 -0.04 0.00 0.00 63.50 62.10 1sxl n PRO 6 Cb 0.46 -1.47 0.00 0.00 -0.04 0.00 0.00 33.50 32.45 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 1.26 0.42 0.00 0.55 0.00 -1.26 -4.97 105.19 101.18 1sxl n GLY 7 Ca 0.17 -2.24 0.00 0.00 0.00 0.00 0.00 46.02 43.95 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 3.60 1.88 -0.02 0.00 -1.26 -4.90 105.19 104.49 1sxl n GLY 8 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.55 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 -4.15 -0.36 1.61 -0.58 -1.26 -4.69 120.64 111.20 1sxl n GLU 9 Ca 0.00 3.09 0.00 0.00 -0.42 0.00 0.00 57.16 59.83 1sxl n GLU 9 Cb 0.00 -3.54 0.00 0.00 -0.57 0.00 0.00 31.44 27.33 1sxl n GLU 9 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 1sxl n SER 10 N 1.44 0.00 -4.58 1.62 7.64 -1.26 -4.63 113.62 113.85 1sxl n SER 10 Ca 0.00 -0.23 -0.26 0.00 1.01 0.00 0.00 58.87 59.40 1sxl n SER 10 Cb 0.00 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.13 1sxl n SER 10 CO 0.00 0.00 0.00 0.27 -3.01 0.00 0.00 175.04 172.30 1sxl s ILE 11 N -2.40 3.44 -0.31 0.44 -5.25 -1.14 -4.08 121.20 111.90 1sxl s ILE 11 Ca 0.00 -0.70 0.00 0.00 -0.99 0.00 0.00 60.65 58.96 1sxl s ILE 11 Cb 0.00 -4.37 0.00 0.00 2.95 0.00 0.00 42.46 41.04 1sxl s ILE 11 CO 0.00 -0.82 0.00 1.17 -1.79 0.00 0.00 174.94 173.50 1sxl n LYS 12 N 8.35 -1.07 0.00 0.37 3.00 -1.26 -4.45 118.16 123.10 1sxl n LYS 12 Ca 0.44 0.17 0.00 0.00 -0.00 0.00 0.00 58.31 58.92 1sxl n LYS 12 Cb 0.47 -4.23 0.00 0.00 0.00 0.00 0.00 35.03 31.27 1sxl n LYS 12 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1sxl n ASP 13 N 0.67 0.00 -3.21 3.14 8.00 -1.26 -4.91 116.55 118.98 1sxl n ASP 13 Ca -0.03 0.00 0.01 0.00 0.71 0.00 0.00 54.79 55.48 1sxl n ASP 13 Cb 0.10 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.18 1sxl n ASP 13 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1sxl s THR 14 N 1.57 -0.96 0.71 -3.53 2.01 0.23 -4.54 115.64 111.14 1sxl s THR 14 Ca 0.00 -0.06 -0.08 0.00 0.31 0.00 0.00 61.69 61.86 1sxl s THR 14 Cb 0.00 -0.28 0.05 0.00 0.01 0.00 0.00 72.50 72.28 1sxl s THR 14 CO 0.00 -0.04 1.05 0.54 -0.69 0.00 0.00 174.62 175.48 1sxl s ASN 15 N 2.06 4.94 -0.07 3.53 4.22 -0.59 -3.75 114.94 125.29 1sxl s ASN 15 Ca 0.15 0.65 -0.01 0.00 -2.14 0.00 0.00 52.86 51.51 1sxl s ASN 15 Cb -0.06 -1.33 0.03 0.00 1.28 0.00 0.00 41.25 41.16 1sxl s ASN 15 CO -0.12 -1.56 -0.01 -1.48 -2.04 0.00 0.00 177.10 171.89 1sxl s LEU 16 N -5.30 0.80 0.15 3.54 2.34 -0.56 -3.99 118.68 115.66 1sxl s LEU 16 Ca 0.59 -0.11 -0.30 0.00 0.06 0.00 0.00 54.13 54.38 1sxl s LEU 16 Cb -0.11 -0.47 -0.07 0.00 -0.56 0.00 0.00 46.19 44.99 1sxl s LEU 16 CO 0.47 -0.16 1.02 -0.47 -1.06 0.00 0.00 176.35 176.14 1sxl s TYR 17 N 1.72 3.74 0.09 3.48 5.04 -0.95 -1.57 117.35 128.90 1sxl s TYR 17 Ca 0.01 1.73 0.08 0.00 -2.44 0.00 0.00 57.07 56.46 1sxl s TYR 17 Cb -0.13 -3.14 -0.04 0.00 0.35 0.00 0.00 41.96 39.01 1sxl s TYR 17 CO -0.04 -0.10 -0.18 0.14 -1.34 0.00 0.00 175.55 174.02 1sxl s VAL 18 N -0.24 2.80 0.40 3.14 -7.23 -0.91 -1.97 120.40 116.39 1sxl s VAL 18 Ca 0.47 -1.39 0.04 0.00 -1.81 0.00 0.00 61.98 59.30 1sxl s VAL 18 Cb -0.26 -2.24 -0.02 0.00 0.56 0.00 0.00 36.38 34.41 1sxl s VAL 18 CO 0.32 0.19 0.15 0.42 -0.31 0.00 0.00 175.10 175.88 1sxl s THR 19 N -1.05 0.49 -0.25 5.32 -4.23 -0.85 -1.19 115.64 113.88 1sxl s THR 19 Ca 0.16 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 58.66 1sxl s THR 19 Cb -0.11 -2.36 0.01 0.00 1.34 0.00 0.00 72.50 71.38 1sxl s THR 19 CO 0.08 0.00 0.03 -3.20 -0.54 0.00 0.00 174.62 170.99 1sxl n ASN 20 N -1.35 -7.01 -4.88 3.99 2.85 -1.17 -1.72 115.26 105.96 1sxl n ASN 20 Ca -0.04 1.30 -0.24 0.00 -0.11 0.00 0.00 54.58 55.49 1sxl n ASN 20 Cb 0.64 -4.83 -0.02 0.00 1.24 0.00 0.00 39.78 36.82 1sxl n ASN 20 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 1sxl s LEU 21 N -1.43 2.95 0.00 1.20 1.43 -1.09 -2.82 118.68 118.92 1sxl s LEU 21 Ca -0.03 -1.07 0.07 0.00 -1.03 0.00 0.00 54.13 52.06 1sxl s LEU 21 Cb 0.00 -1.47 0.15 0.00 0.03 0.00 0.00 46.19 44.90 1sxl s LEU 21 CO 0.68 -0.93 1.01 -0.81 0.23 0.00 0.00 176.35 176.53 1sxl n PRO 22 N -1.67 1.95 0.00 1.29 -0.04 -1.26 -5.00 135.00 130.27 1sxl n PRO 22 Ca 0.01 -1.54 0.00 0.00 -0.04 0.00 0.00 63.50 61.93 1sxl n PRO 22 Cb 0.63 -1.16 0.00 0.00 -0.04 0.00 0.00 33.50 32.94 1sxl n PRO 22 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 1sxl n ARG 23 N 0.22 0.00 0.00 0.54 1.85 -1.26 -5.01 116.66 112.99 1sxl n ARG 23 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.91 1sxl n ARG 23 Cb 0.30 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.71 1sxl n ARG 23 CO 0.00 0.00 0.00 2.41 -0.01 0.00 0.00 177.63 180.03 1sxl n THR 24 N 0.00 0.00 -1.34 8.89 -1.04 -1.26 -4.94 114.28 114.58 1sxl n THR 24 Ca 0.00 0.00 0.04 0.00 -2.04 0.00 0.00 64.05 62.05 1sxl n THR 24 Cb 0.00 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 68.50 1sxl n THR 24 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 1sxl n ILE 25 N -1.85 0.00 -3.91 12.58 5.41 -1.26 -4.66 119.36 125.66 1sxl n ILE 25 Ca 0.00 0.00 -0.35 0.00 1.00 0.00 0.00 62.75 63.40 1sxl n ILE 25 Cb 0.00 -0.09 -0.05 0.00 -0.71 0.00 0.00 39.64 38.78 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 -0.69 5.42 0.06 1.39 -4.23 -1.26 -4.98 115.64 111.34 1sxl s THR 26 Ca 0.00 -0.04 -0.30 0.00 -1.18 0.00 0.00 61.69 60.17 1sxl s THR 26 Cb 0.00 -3.46 -0.16 0.00 1.34 0.00 0.00 72.50 70.22 1sxl s THR 26 CO 0.00 0.44 1.45 0.44 -0.54 0.00 0.00 174.62 176.41 1sxl h ASP 27 N 4.26 -1.01 0.00 3.99 3.32 -1.85 -0.95 116.42 124.17 1sxl h ASP 27 Ca -0.51 0.06 0.00 0.00 0.02 0.00 0.00 57.03 56.60 1sxl h ASP 27 Cb 1.20 0.30 0.00 0.00 0.22 0.00 0.00 39.33 41.05 1sxl h ASP 27 CO 0.65 -0.61 0.41 -2.24 -1.72 0.00 0.00 179.24 175.73 1sxl h ASP 28 N -0.97 0.00 0.21 6.45 2.03 -1.96 -2.37 116.42 119.82 1sxl h ASP 28 Ca -0.09 0.00 -0.01 0.00 -0.73 0.00 0.00 57.03 56.20 1sxl h ASP 28 Cb 0.78 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.28 1sxl h ASP 28 CO 0.08 0.00 -0.10 1.56 -1.03 0.00 0.00 179.24 179.75 1sxl h GLN 29 N 0.00 -0.28 -0.81 4.15 4.20 -1.58 -3.18 115.11 117.62 1sxl h GLN 29 Ca 0.00 0.02 0.23 0.00 0.06 0.00 0.00 58.65 58.96 1sxl h GLN 29 Cb 0.83 0.06 -0.03 0.00 0.30 0.00 0.00 27.48 28.64 1sxl h GLN 29 CO 0.00 -0.18 0.95 1.25 -0.67 0.00 0.00 178.83 180.18 1sxl h LEU 30 N -0.93 0.00 0.35 1.46 5.85 -1.16 0.39 115.31 121.27 1sxl h LEU 30 Ca -0.03 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.67 1sxl h LEU 30 Cb 0.22 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.25 1sxl h LEU 30 CO 0.05 0.00 -0.17 0.44 -0.34 0.00 0.00 178.44 178.42 1sxl h ASP 31 N 0.00 -0.40 -0.46 1.25 3.32 -1.54 -1.75 116.42 116.84 1sxl h ASP 31 Ca 0.38 -0.11 -0.03 0.00 0.02 0.00 0.00 57.03 57.29 1sxl h ASP 31 Cb 2.28 0.10 -0.02 0.00 0.22 0.00 0.00 39.33 41.91 1sxl h ASP 31 CO -0.00 -0.11 0.20 0.74 -1.72 0.00 0.00 179.24 178.34 1sxl h THR 32 N -0.70 1.19 0.00 0.35 2.02 -0.30 -0.59 112.91 114.87 1sxl h THR 32 Ca -0.05 -0.60 -0.01 0.00 0.77 0.00 0.00 66.41 66.52 1sxl h THR 32 Cb 0.49 0.59 -0.00 0.00 -1.74 0.00 0.00 68.15 67.49 1sxl h THR 32 CO 0.08 0.24 -0.05 -0.29 0.37 0.00 0.00 175.52 175.87 1sxl h ILE 33 N 0.73 0.80 0.02 3.11 2.10 -1.08 -3.13 117.51 120.06 1sxl h ILE 33 Ca 0.17 -0.19 -0.00 0.00 1.08 0.00 0.00 64.86 65.93 1sxl h ILE 33 Cb 0.16 1.11 0.00 0.00 -1.09 0.00 0.00 36.82 36.99 1sxl h ILE 33 CO -0.02 0.05 -0.01 -0.26 -1.08 0.00 0.00 178.15 176.83 1sxl h PHE 34 N 0.00 -0.02 0.00 2.19 0.04 -0.19 -3.50 116.94 115.45 1sxl h PHE 34 Ca -0.00 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1sxl h PHE 34 Cb 0.10 0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.26 1sxl h PHE 34 CO 0.00 -0.01 0.00 0.41 -0.60 0.00 0.00 178.31 178.11 1sxl n GLY 35 N 0.90 -0.75 0.00 -1.45 0.00 -1.08 -4.98 105.19 97.82 1sxl n GLY 35 Ca -0.00 0.28 0.00 0.00 0.00 0.00 0.00 46.02 46.30 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 0.00 0.00 0.00 1.61 5.02 -1.26 -4.84 118.16 118.69 1sxl n LYS 36 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1sxl n LYS 36 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1sxl n LYS 36 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1sxl n TYR 37 N 0.00 0.00 -1.78 2.13 4.01 -1.26 -4.97 117.16 115.29 1sxl n TYR 37 Ca 0.00 0.00 -0.32 0.00 -0.16 0.00 0.00 57.90 57.42 1sxl n TYR 37 Cb 0.00 0.00 0.03 0.00 -0.31 0.00 0.00 39.34 39.06 1sxl n TYR 37 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1sxl s GLY 38 N -0.35 1.90 -1.30 2.72 0.00 -1.26 -4.90 107.32 104.13 1sxl s GLY 38 Ca 0.00 0.26 -0.18 0.00 0.00 0.00 0.00 44.72 44.80 1sxl s GLY 38 CO 0.00 0.58 1.77 -1.26 0.00 0.00 0.00 173.10 174.19 1sxl n SER 39 N -2.62 4.78 -3.37 1.64 2.88 -1.26 -4.90 113.62 110.77 1sxl n SER 39 Ca 0.08 -2.90 -0.48 0.00 -1.33 0.00 0.00 58.87 54.24 1sxl n SER 39 Cb 0.53 -1.74 -0.08 0.00 -0.75 0.00 0.00 64.21 62.17 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 6.43 0.00 -0.36 2.46 -0.00 -1.26 -4.66 119.36 121.97 1sxl n ILE 40 Ca 0.49 0.00 -0.03 0.00 -0.00 0.00 0.00 62.75 63.21 1sxl n ILE 40 Cb 0.46 -0.37 0.01 0.00 -0.00 0.00 0.00 39.64 39.73 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 3.74 1.99 -0.53 7.28 0.24 -0.54 -4.78 118.33 125.73 1sxl n VAL 41 Ca 0.30 -0.61 0.00 0.00 -2.04 0.00 0.00 64.34 62.00 1sxl n VAL 41 Cb -0.04 -1.40 0.00 0.00 -1.47 0.00 0.00 33.84 30.93 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 1.18 0.00 -3.92 7.34 7.27 -1.26 -4.92 117.38 123.07 1sxl n GLN 42 Ca 0.05 0.21 -0.30 0.00 0.07 0.00 0.00 57.00 57.03 1sxl n GLN 42 Cb 0.52 -0.32 -0.04 0.00 2.41 0.00 0.00 30.24 32.82 1sxl n GLN 42 CO 0.00 0.00 0.00 -1.59 0.07 0.00 0.00 177.06 175.54 1sxl s LYS 43 N -0.90 3.44 0.30 3.69 -2.85 -1.26 -4.41 119.74 117.75 1sxl s LYS 43 Ca 0.00 -0.48 -0.02 0.00 -1.00 0.00 0.00 55.97 54.47 1sxl s LYS 43 Cb 0.00 -3.02 -0.01 0.00 -2.06 0.00 0.00 37.83 32.74 1sxl s LYS 43 CO 0.00 0.58 0.37 1.21 0.10 0.00 0.00 175.35 177.62 1sxl s ASN 44 N -2.72 0.76 -0.05 0.03 3.84 -1.02 -4.63 114.94 111.15 1sxl s ASN 44 Ca 0.35 -1.43 -0.03 0.00 0.21 0.00 0.00 52.86 51.96 1sxl s ASN 44 Cb -0.12 0.58 0.03 0.00 -0.55 0.00 0.00 41.25 41.18 1sxl s ASN 44 CO 0.28 -1.14 0.13 -0.63 -2.79 0.00 0.00 177.10 172.94 1sxl s ILE 45 N -3.48 -0.03 -0.00 -5.21 1.01 -1.26 -1.74 121.20 110.48 1sxl s ILE 45 Ca 0.33 0.10 -0.17 0.00 0.00 0.00 0.00 60.65 60.91 1sxl s ILE 45 Cb 0.01 -0.20 0.03 0.00 0.01 0.00 0.00 42.46 42.31 1sxl s ILE 45 CO 0.18 0.04 0.36 -1.48 0.00 0.00 0.00 174.94 174.04 1sxl s LEU 46 N 0.68 0.65 0.00 2.97 0.05 -0.94 -4.98 118.68 117.10 1sxl s LEU 46 Ca -0.05 0.09 0.00 0.00 0.05 0.00 0.00 54.13 54.22 1sxl s LEU 46 Cb -0.07 1.46 0.00 0.00 -2.05 0.00 0.00 46.19 45.54 1sxl s LEU 46 CO -0.03 -0.52 0.00 -2.11 -0.55 0.00 0.00 176.35 173.14 1sxl n ARG 47 N 1.02 0.00 -1.82 1.48 -4.01 -1.26 -0.98 116.66 111.09 1sxl n ARG 47 Ca -0.20 0.00 -0.30 0.00 -1.04 0.00 0.00 57.85 56.31 1sxl n ARG 47 Cb 0.57 -0.43 0.19 0.00 -3.04 0.00 0.00 32.46 29.75 1sxl n ARG 47 CO 0.00 0.00 0.00 0.16 -3.04 0.00 0.00 177.63 174.75 1sxl s ASP 48 N -1.94 2.94 0.00 2.89 1.47 -1.26 -4.23 116.67 116.53 1sxl s ASP 48 Ca 0.00 0.35 0.00 0.00 1.18 0.00 0.00 52.55 54.08 1sxl s ASP 48 Cb 0.00 -0.45 0.00 0.00 -0.34 0.00 0.00 42.92 42.13 1sxl s ASP 48 CO 0.00 -2.85 0.00 0.29 0.68 0.00 0.00 175.17 173.29 1sxl n LYS 49 N -3.86 0.00 0.00 2.11 4.76 -1.26 -4.84 118.16 115.07 1sxl n LYS 49 Ca 0.14 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.58 1sxl n LYS 49 Cb 0.60 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.79 1sxl n LYS 49 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 1sxl n LEU 50 N -1.83 0.00 0.00 -0.35 7.94 -1.26 -4.94 117.00 116.56 1sxl n LEU 50 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 1sxl n LEU 50 Cb 0.00 0.01 0.00 0.00 0.53 0.00 0.00 43.42 43.96 1sxl n LEU 50 CO 0.00 -0.02 0.23 0.41 -1.11 0.00 0.00 177.39 176.89 1sxl n THR 51 N -1.55 0.18 -0.27 1.96 -1.04 -1.26 -5.02 114.28 107.28 1sxl n THR 51 Ca 0.00 -0.24 0.00 0.00 -2.04 0.00 0.00 64.05 61.77 1sxl n THR 51 Cb 0.00 1.18 0.00 0.00 -1.82 0.00 0.00 70.33 69.69 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 -0.09 0.88 3.74 3.41 0.00 -1.26 -5.05 105.19 106.82 1sxl n GLY 52 Ca 0.00 -0.68 -0.36 0.00 0.00 0.00 0.00 46.02 44.98 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 -2.00 2.72 -1.17 1.61 1.81 -1.26 -4.89 118.95 115.76 1sxl s ARG 53 Ca 0.00 1.88 -0.17 0.00 -1.72 0.00 0.00 55.73 55.72 1sxl s ARG 53 Cb 0.00 -1.89 0.12 0.00 -0.45 0.00 0.00 34.95 32.73 1sxl s ARG 53 CO 0.00 -1.42 1.49 -1.25 -0.68 0.00 0.00 175.30 173.44 1sxl s PRO 54 N -3.45 3.92 0.00 3.54 0.04 -1.26 -4.62 135.00 133.17 1sxl s PRO 54 Ca 0.78 -2.08 0.00 0.00 0.04 0.00 0.00 61.00 59.75 1sxl s PRO 54 Cb -0.32 -5.23 0.00 0.00 0.04 0.00 0.00 34.50 28.99 1sxl s PRO 54 CO 0.37 -1.98 0.00 0.54 0.04 0.00 0.00 177.00 175.97 1sxl n ARG 55 N 7.10 0.00 -0.58 4.56 1.74 -1.26 -5.12 116.66 123.09 1sxl n ARG 55 Ca 0.38 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.46 1sxl n ARG 55 Cb 0.46 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.90 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 1.58 0.28 3.18 -0.13 0.00 -1.26 -4.74 105.19 104.10 1sxl n GLY 56 Ca 0.00 -0.49 -0.25 0.00 0.00 0.00 0.00 46.02 45.28 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 -1.46 1.42 0.24 1.61 -7.23 -0.15 -2.67 120.40 112.16 1sxl s VAL 57 Ca 0.00 -0.82 0.01 0.00 -1.81 0.00 0.00 61.98 59.36 1sxl s VAL 57 Cb 0.00 -1.19 0.01 0.00 0.56 0.00 0.00 36.38 35.76 1sxl s VAL 57 CO 0.00 0.35 0.11 0.00 -0.31 0.00 0.00 175.10 175.25 1sxl n ALA 58 N 2.51 0.31 -3.47 1.32 0.00 -0.33 -2.22 120.51 118.62 1sxl n ALA 58 Ca -0.15 -1.00 -0.23 0.00 0.00 0.00 0.00 53.44 52.05 1sxl n ALA 58 Cb 0.54 0.47 -0.12 0.00 0.00 0.00 0.00 19.45 20.34 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 -1.45 -0.04 0.30 0.00 0.40 -0.71 -2.15 117.98 114.32 1sxl s PHE 59 Ca 0.08 -0.59 -0.16 0.00 -0.60 0.00 0.00 56.93 55.66 1sxl s PHE 59 Cb -0.01 -0.68 -0.09 0.00 0.51 0.00 0.00 43.02 42.75 1sxl s PHE 59 CO 0.05 -0.88 0.73 0.08 0.70 0.00 0.00 175.22 175.91 1sxl s VAL 60 N 2.14 4.66 -0.45 -0.44 1.01 -0.61 -2.42 120.40 124.30 1sxl s VAL 60 Ca 0.10 1.02 0.04 0.00 0.00 0.00 0.00 61.98 63.14 1sxl s VAL 60 Cb -0.15 -3.67 0.18 0.00 0.00 0.00 0.00 36.38 32.73 1sxl s VAL 60 CO -0.32 -0.09 0.38 0.54 0.00 0.00 0.00 175.10 175.61 1sxl n ARG 61 N -0.10 0.44 -1.80 2.72 1.74 -1.26 -1.50 116.66 116.91 1sxl n ARG 61 Ca 0.02 -3.35 -0.31 0.00 -0.77 0.00 0.00 57.85 53.44 1sxl n ARG 61 Cb 0.53 -1.72 0.02 0.00 -1.02 0.00 0.00 32.46 30.26 1sxl n ARG 61 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 1sxl s TYR 62 N -0.24 3.51 0.00 -1.55 1.51 -1.25 -1.46 117.35 117.87 1sxl s TYR 62 Ca 0.32 1.32 0.00 0.00 -1.01 0.00 0.00 57.07 57.70 1sxl s TYR 62 Cb 0.04 -2.76 0.00 0.00 -0.11 0.00 0.00 41.96 39.13 1sxl s TYR 62 CO -0.19 -0.82 0.00 0.27 -1.11 0.00 0.00 175.55 173.70 1sxl n ASN 63 N -2.84 0.00 -1.23 2.29 0.23 -1.25 -1.54 115.26 110.93 1sxl n ASN 63 Ca 0.06 0.00 -0.14 0.00 -0.53 0.00 0.00 54.58 53.97 1sxl n ASN 63 Cb 0.54 0.00 -0.01 0.00 -2.08 0.00 0.00 39.78 38.23 1sxl n ASN 63 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 1sxl n LYS 64 N 0.00 0.00 -0.11 -3.83 5.02 -1.26 0.78 118.16 118.76 1sxl n LYS 64 Ca 0.00 0.00 -0.05 0.00 -2.02 0.00 0.00 58.31 56.24 1sxl n LYS 64 Cb 0.00 -0.32 0.01 0.00 -0.02 0.00 0.00 35.03 34.70 1sxl n LYS 64 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1sxl h ARG 65 N 0.45 -0.09 -0.42 1.97 -0.00 -1.89 0.41 114.38 114.82 1sxl h ARG 65 Ca -0.10 0.01 -0.04 0.00 -0.50 0.00 0.00 59.98 59.34 1sxl h ARG 65 Cb 0.40 0.02 -0.02 0.00 0.00 0.00 0.00 29.97 30.37 1sxl h ARG 65 CO 0.16 -0.06 0.08 0.93 0.00 0.00 0.00 179.97 181.08 1sxl h GLU 66 N -0.09 0.64 0.00 0.04 5.08 -1.97 -0.38 114.58 117.89 1sxl h GLU 66 Ca 0.19 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 1sxl h GLU 66 Cb 0.38 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.53 1sxl h GLU 66 CO -0.45 0.60 -0.05 0.93 -1.00 0.00 0.00 179.01 179.04 1sxl h GLU 67 N 0.62 0.00 -0.00 2.33 3.07 -0.60 -0.04 114.58 119.96 1sxl h GLU 67 Ca 0.14 0.00 -0.16 0.00 -0.50 0.00 0.00 59.36 58.84 1sxl h GLU 67 Cb 0.27 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.19 1sxl h GLU 67 CO 0.00 0.05 -0.63 0.00 -1.40 0.00 0.00 179.01 177.03 1sxl h ALA 68 N 1.95 0.08 0.00 3.43 0.00 0.99 -2.67 119.26 123.03 1sxl h ALA 68 Ca -0.00 -0.58 -0.00 0.00 0.00 0.00 0.00 54.91 54.33 1sxl h ALA 68 Cb 0.11 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1sxl h ALA 68 CO 0.01 0.38 -0.00 1.96 0.00 0.00 0.00 179.25 181.59 1sxl h GLN 69 N -0.06 0.00 0.40 0.00 1.08 -0.50 0.20 115.11 116.22 1sxl h GLN 69 Ca -0.08 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.10 1sxl h GLN 69 Cb 1.34 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.77 1sxl h GLN 69 CO 0.12 0.00 -0.19 0.93 -0.95 0.00 0.00 178.83 178.74 1sxl h GLU 70 N 0.00 -0.52 0.00 1.46 3.07 -0.72 -1.73 114.58 116.14 1sxl h GLU 70 Ca -0.00 0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.90 1sxl h GLU 70 Cb 0.03 0.12 0.00 0.00 -0.84 0.00 0.00 28.75 28.06 1sxl h GLU 70 CO 0.00 -0.35 0.00 0.00 -1.40 0.00 0.00 179.01 177.26 1sxl n ALA 71 N -2.62 1.78 -0.06 3.43 0.00 -0.90 -1.10 120.51 121.03 1sxl n ALA 71 Ca -0.07 -0.06 -0.03 0.00 0.00 0.00 0.00 53.44 53.28 1sxl n ALA 71 Cb 0.21 -1.21 -0.01 0.00 0.00 0.00 0.00 19.45 18.44 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 -0.48 0.29 117.51 118.40 1sxl h ILE 72 Ca 0.00 -0.96 0.00 0.00 -0.39 0.00 0.00 64.86 63.51 1sxl h ILE 72 Cb 0.11 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 33.86 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 -4.57 0.00 0.00 1.72 2.88 -0.66 -2.05 113.62 110.94 1sxl n SER 73 Ca -0.04 -0.56 0.00 0.00 -1.33 0.00 0.00 58.87 56.94 1sxl n SER 73 Cb 0.16 -0.08 0.00 0.00 -0.75 0.00 0.00 64.21 63.54 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 -1.08 2.75 0.16 -1.46 0.00 -0.26 -4.80 120.51 115.81 1sxl n ALA 74 Ca 0.16 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.70 1sxl n ALA 74 Cb 0.11 0.35 0.07 0.00 0.00 0.00 0.00 19.45 19.99 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 0.00 -1.41 0.00 4.07 -0.64 -3.29 115.31 114.04 1sxl h LEU 75 Ca 0.00 0.00 0.14 0.00 0.08 0.00 0.00 57.88 58.10 1sxl h LEU 75 Cb 0.71 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.43 1sxl h LEU 75 CO 0.00 0.11 0.76 -0.55 -1.08 0.00 0.00 178.44 177.69 1sxl h ASN 76 N 0.00 0.00 -2.24 -0.43 -1.07 -0.28 -3.05 115.58 108.51 1sxl h ASN 76 Ca -0.01 0.00 -0.49 0.00 0.07 0.00 0.00 56.30 55.86 1sxl h ASN 76 Cb 1.10 0.00 -0.35 0.00 -2.07 0.00 0.00 38.32 37.00 1sxl h ASN 76 CO 0.01 0.00 -0.82 0.20 0.07 0.00 0.00 177.43 176.90 1sxl s ASN 77 N -4.21 1.72 -1.04 6.14 0.01 -1.19 -2.68 114.94 113.69 1sxl s ASN 77 Ca -0.03 -2.23 -0.23 0.00 -0.71 0.00 0.00 52.86 49.66 1sxl s ASN 77 Cb 0.12 0.02 0.04 0.00 0.41 0.00 0.00 41.25 41.83 1sxl s ASN 77 CO 0.40 -0.24 1.56 0.54 -1.51 0.00 0.00 177.10 177.85 1sxl s VAL 78 N 0.88 3.88 0.09 1.60 0.11 -1.15 -4.82 120.40 120.99 1sxl s VAL 78 Ca 0.23 -0.86 -0.00 0.00 -2.93 0.00 0.00 61.98 58.42 1sxl s VAL 78 Cb -0.12 -4.93 0.00 0.00 -1.53 0.00 0.00 36.38 29.80 1sxl s VAL 78 CO -0.06 -1.80 0.13 2.30 -3.33 0.00 0.00 175.10 172.33 1sxl n ILE 79 N 6.98 0.00 -1.07 7.04 -6.64 -1.26 -4.73 119.36 119.67 1sxl n ILE 79 Ca 0.36 -0.51 -0.04 0.00 -1.77 0.00 0.00 62.75 60.80 1sxl n ILE 79 Cb 0.50 0.30 0.30 0.00 -1.44 0.00 0.00 39.64 39.30 1sxl n ILE 79 CO 0.00 0.00 0.00 -0.81 -1.77 0.00 0.00 176.55 173.97 1sxl n PRO 80 N -0.16 3.52 -1.30 6.28 -0.04 -1.26 -5.01 135.00 137.04 1sxl n PRO 80 Ca 0.00 -3.08 0.00 0.00 -0.04 0.00 0.00 63.50 60.38 1sxl n PRO 80 Cb 0.16 -2.15 0.00 0.00 -0.04 0.00 0.00 33.50 31.47 1sxl n PRO 80 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1sxl n GLU 81 N -0.26 -1.87 0.00 0.54 2.13 -1.26 -4.98 120.64 114.94 1sxl n GLU 81 Ca 0.38 1.67 0.00 0.00 0.66 0.00 0.00 57.16 59.87 1sxl n GLU 81 Cb 1.30 -1.77 0.00 0.00 0.27 0.00 0.00 31.44 31.24 1sxl n GLU 81 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1sxl n GLY 82 N 0.65 0.47 0.00 8.31 0.00 -1.26 -5.10 105.19 108.26 1sxl n GLY 82 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.64 3.23 -0.02 0.00 -1.26 -5.02 105.19 102.76 1sxl n GLY 83 Ca 0.00 -1.62 0.00 0.00 0.00 0.00 0.00 46.02 44.40 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 -2.94 1.61 2.88 -1.26 -4.73 113.62 109.18 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 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 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 -0.38 -0.45 -4.46 -1.46 10.64 -1.26 -4.95 117.38 115.06 1sxl n GLN 85 Ca 0.00 0.80 -0.30 0.00 -1.83 0.00 0.00 57.00 55.67 1sxl n GLN 85 Cb 0.00 -0.86 -0.06 0.00 -0.86 0.00 0.00 30.24 28.46 1sxl n GLN 85 CO 0.00 0.00 0.00 -0.35 -1.83 0.00 0.00 177.06 174.88 1sxl n PRO 86 N 1.49 0.83 -3.03 2.61 -0.04 -1.26 -4.69 135.00 130.91 1sxl n PRO 86 Ca 0.00 -3.42 -0.07 0.00 -0.04 0.00 0.00 63.50 59.96 1sxl n PRO 86 Cb 0.36 1.02 0.00 0.00 -0.04 0.00 0.00 33.50 34.84 1sxl n PRO 86 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1sxl n LEU 87 N 0.00 -0.37 -4.56 1.53 4.77 -1.13 -3.25 117.00 114.00 1sxl n LEU 87 Ca -0.18 -0.27 -0.41 0.00 -0.03 0.00 0.00 56.01 55.12 1sxl n LEU 87 Cb 0.60 -0.40 -0.03 0.00 -2.33 0.00 0.00 43.42 41.26 1sxl n LEU 87 CO 0.32 0.13 1.26 -0.44 -1.33 0.00 0.00 177.39 177.32 1sxl s SER 88 N -2.72 6.04 0.73 -1.43 0.01 -0.70 -3.16 113.70 112.46 1sxl s SER 88 Ca 0.03 -0.05 -0.11 0.00 1.31 0.00 0.00 55.95 57.12 1sxl s SER 88 Cb -0.01 -2.55 0.03 0.00 0.21 0.00 0.00 66.02 63.69 1sxl s SER 88 CO 0.23 -1.85 1.09 0.68 0.41 0.00 0.00 173.24 173.80 1sxl s VAL 89 N 6.30 3.48 0.00 3.43 -7.23 -1.25 -2.00 120.40 123.13 1sxl s VAL 89 Ca 0.46 0.48 0.00 0.00 -1.81 0.00 0.00 61.98 61.11 1sxl s VAL 89 Cb -0.10 -3.37 0.00 0.00 0.56 0.00 0.00 36.38 33.48 1sxl s VAL 89 CO 0.20 -0.63 0.00 -1.14 -0.31 0.00 0.00 175.10 173.22 1sxl n ARG 90 N -3.14 0.00 -0.94 4.82 0.63 -0.83 -4.90 116.66 112.30 1sxl n ARG 90 Ca 0.07 0.00 -0.32 0.00 -0.92 0.00 0.00 57.85 56.68 1sxl n ARG 90 Cb 0.56 0.00 -0.02 0.00 0.45 0.00 0.00 32.46 33.46 1sxl n ARG 90 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 1sxl n LEU 91 N 0.00 -1.14 -4.29 6.15 7.99 -1.26 -2.24 117.00 122.21 1sxl n LEU 91 Ca 0.00 0.71 -0.20 0.00 -0.01 0.00 0.00 56.01 56.52 1sxl n LEU 91 Cb 0.00 -0.64 -0.08 0.00 -0.11 0.00 0.00 43.42 42.59 1sxl n LEU 91 CO 0.00 -2.25 -0.11 0.00 -1.51 0.00 0.00 177.39 173.52 1sxl s ALA 92 N -0.80 1.91 -0.29 -1.18 0.00 -1.26 -4.61 121.76 115.53 1sxl s ALA 92 Ca 0.43 -2.07 0.02 0.00 0.00 0.00 0.00 51.96 50.34 1sxl s ALA 92 Cb -0.58 1.47 0.08 0.00 0.00 0.00 0.00 23.12 24.09 1sxl s ALA 92 CO 0.39 -0.66 -0.01 -1.21 0.00 0.00 0.00 175.76 174.28 1sxl s GLU 93 N -3.44 1.58 0.00 0.00 0.41 -1.26 -4.72 118.70 111.27 1sxl s GLU 93 Ca 0.40 -1.38 0.00 0.00 -0.41 0.00 0.00 54.97 53.58 1sxl s GLU 93 Cb 0.02 -2.79 0.00 0.00 -1.78 0.00 0.00 34.13 29.59 1sxl s GLU 93 CO 0.28 -0.76 0.00 -1.91 -0.49 0.00 0.00 175.26 172.38 1sxl n GLU 94 N 4.50 2.23 -1.01 1.61 2.13 -1.26 -5.01 120.64 123.83 1sxl n GLU 94 Ca -0.06 0.00 -0.13 0.00 0.66 0.00 0.00 57.16 57.64 1sxl n GLU 94 Cb 0.43 0.00 0.18 0.00 0.27 0.00 0.00 31.44 32.32 1sxl n GLU 94 CO 0.00 0.00 0.00 -2.39 -0.41 0.00 0.00 177.13 174.33 1sxl n HIS 95 N -0.37 1.87 0.00 4.31 1.44 -1.26 -4.64 115.22 116.57 1sxl n HIS 95 Ca 0.00 -1.76 0.00 0.00 -2.01 0.00 0.00 57.72 53.95 1sxl n HIS 95 Cb 0.00 -0.68 0.00 0.00 0.12 0.00 0.00 29.99 29.43 1sxl n HIS 95 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1sxl n GLY 96 N -1.12 0.01 0.00 -1.39 0.00 -1.26 -5.24 105.19 96.19 1sxl n GLY 96 Ca 0.44 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.45 1sxl n GLY 96 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60