#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sxl h SER 2 N 0.00 -0.52 0.00 6.12 0.02 -2.08 -3.45 113.55 113.64 1sxl h SER 2 Ca 0.00 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 1sxl h SER 2 Cb 0.00 0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.75 1sxl h SER 2 CO 0.00 -0.12 0.00 -1.22 -1.14 0.00 0.00 176.83 174.35 1sxl n TYR 3 N -3.44 -4.17 0.00 3.45 4.01 -1.26 -5.11 117.16 110.64 1sxl n TYR 3 Ca -0.01 1.25 0.00 0.00 -0.16 0.00 0.00 57.90 58.98 1sxl n TYR 3 Cb 0.10 3.18 0.00 0.00 -0.31 0.00 0.00 39.34 42.31 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 -3.26 0.00 -1.57 -0.72 0.00 -1.26 -5.12 120.51 108.58 1sxl n ALA 4 Ca 0.00 0.00 -0.47 0.00 0.00 0.00 0.00 53.44 52.97 1sxl n ALA 4 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 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 -0.72 1.15 -4.47 0.00 1.74 -1.26 -4.97 116.66 108.13 1sxl n ARG 5 Ca 0.00 0.41 -0.23 0.00 -0.77 0.00 0.00 57.85 57.26 1sxl n ARG 5 Cb 0.00 -1.80 -0.10 0.00 -1.02 0.00 0.00 32.46 29.54 1sxl n ARG 5 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1sxl s PRO 6 N -1.01 1.64 0.00 5.56 0.04 -1.26 -5.03 135.00 134.93 1sxl s PRO 6 Ca 0.65 -1.84 0.00 0.00 0.04 0.00 0.00 61.00 59.85 1sxl s PRO 6 Cb -0.78 -1.33 0.00 0.00 0.04 0.00 0.00 34.50 32.42 1sxl s PRO 6 CO 0.56 0.07 0.00 0.41 0.04 0.00 0.00 177.00 178.08 1sxl n GLY 7 N -0.65 4.64 0.00 0.56 0.00 -1.26 -4.72 105.19 103.76 1sxl n GLY 7 Ca -0.05 -1.19 0.00 0.00 0.00 0.00 0.00 46.02 44.78 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 -1.95 1.40 3.97 -0.02 0.00 -0.95 -4.68 105.19 102.97 1sxl n GLY 8 Ca 0.00 -2.04 -0.19 0.00 0.00 0.00 0.00 46.02 43.78 1sxl n GLY 8 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1sxl s GLU 9 N -1.82 3.05 0.27 1.61 2.02 -1.26 -2.78 118.70 119.79 1sxl s GLU 9 Ca 0.00 -1.06 0.00 0.00 0.02 0.00 0.00 54.97 53.93 1sxl s GLU 9 Cb 0.00 -2.76 0.00 0.00 0.10 0.00 0.00 34.13 31.47 1sxl s GLU 9 CO 0.00 0.07 0.00 0.43 0.02 0.00 0.00 175.26 175.78 1sxl n SER 10 N -1.60 -5.33 -4.55 -0.19 7.64 -1.26 -3.62 113.62 104.71 1sxl n SER 10 Ca -0.00 0.54 -0.14 0.00 1.01 0.00 0.00 58.87 60.28 1sxl n SER 10 Cb 0.58 -3.27 -0.09 0.00 -1.01 0.00 0.00 64.21 60.43 1sxl n SER 10 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1sxl n ILE 11 N -3.20 0.00 0.00 0.44 2.08 -1.26 -3.48 119.36 113.94 1sxl n ILE 11 Ca -0.01 -0.45 0.00 0.00 0.56 0.00 0.00 62.75 62.85 1sxl n ILE 11 Cb 0.61 -1.85 0.00 0.00 -0.75 0.00 0.00 39.64 37.65 1sxl n ILE 11 CO 0.00 0.00 0.00 0.29 0.56 0.00 0.00 176.55 177.40 1sxl n LYS 12 N 8.49 0.00 -3.18 0.38 4.76 -1.24 -4.98 118.16 122.39 1sxl n LYS 12 Ca 0.47 0.00 0.02 0.00 -2.87 0.00 0.00 58.31 55.93 1sxl n LYS 12 Cb 0.42 0.00 -0.01 0.00 -1.84 0.00 0.00 35.03 33.60 1sxl n LYS 12 CO 0.00 0.00 0.00 0.16 -1.37 0.00 0.00 177.40 176.19 1sxl s ASP 13 N 0.80 -1.52 -0.30 4.39 -4.77 -1.26 -2.36 116.67 111.65 1sxl s ASP 13 Ca 0.00 -0.48 0.19 0.00 -3.30 0.00 0.00 52.55 48.97 1sxl s ASP 13 Cb 0.00 1.93 0.47 0.00 -1.09 0.00 0.00 42.92 44.24 1sxl s ASP 13 CO 0.00 -0.20 1.15 0.35 0.70 0.00 0.00 175.17 177.17 1sxl n THR 14 N 4.69 0.93 -2.04 2.11 -2.24 -0.70 -2.24 114.28 114.79 1sxl n THR 14 Ca 0.09 -2.58 -0.32 0.00 -2.27 0.00 0.00 64.05 58.96 1sxl n THR 14 Cb 0.56 1.07 0.01 0.00 -2.10 0.00 0.00 70.33 69.88 1sxl n THR 14 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1sxl s ASN 15 N -3.06 5.88 -0.04 3.42 4.22 -0.65 -4.01 114.94 120.70 1sxl s ASN 15 Ca 0.24 1.75 -0.07 0.00 -2.14 0.00 0.00 52.86 52.64 1sxl s ASN 15 Cb 0.38 -2.52 -0.04 0.00 1.28 0.00 0.00 41.25 40.34 1sxl s ASN 15 CO -0.03 -1.10 0.21 -1.48 -2.04 0.00 0.00 177.10 172.66 1sxl s LEU 16 N -4.57 4.39 -1.29 3.54 2.34 -1.03 -3.61 118.68 118.44 1sxl s LEU 16 Ca 0.62 0.51 -0.18 0.00 0.06 0.00 0.00 54.13 55.14 1sxl s LEU 16 Cb -0.15 -2.43 0.04 0.00 -0.56 0.00 0.00 46.19 43.10 1sxl s LEU 16 CO 0.38 0.32 1.82 0.00 -1.06 0.00 0.00 176.35 177.81 1sxl n TYR 17 N 1.46 4.26 -2.47 3.48 9.36 -0.92 -1.44 117.16 130.89 1sxl n TYR 17 Ca -0.15 -2.66 -0.42 0.00 3.32 0.00 0.00 57.90 58.00 1sxl n TYR 17 Cb 0.54 -2.61 -0.03 0.00 -0.63 0.00 0.00 39.34 36.61 1sxl n TYR 17 CO 0.00 0.00 0.00 0.14 0.22 0.00 0.00 176.86 177.22 1sxl s VAL 18 N 5.02 3.88 -0.15 2.97 -7.23 0.55 -4.13 120.40 121.31 1sxl s VAL 18 Ca 0.55 0.76 0.01 0.00 -1.81 0.00 0.00 61.98 61.49 1sxl s VAL 18 Cb 0.05 -4.57 -0.00 0.00 0.56 0.00 0.00 36.38 32.42 1sxl s VAL 18 CO 0.07 -1.25 -0.16 0.42 -0.31 0.00 0.00 175.10 173.86 1sxl s THR 19 N 5.59 2.58 0.00 5.32 -4.23 -1.06 -0.93 115.64 122.91 1sxl s THR 19 Ca 0.48 -0.80 0.00 0.00 -1.18 0.00 0.00 61.69 60.19 1sxl s THR 19 Cb -0.09 -2.08 0.00 0.00 1.34 0.00 0.00 72.50 71.67 1sxl s THR 19 CO 0.25 0.52 0.00 -3.20 -0.54 0.00 0.00 174.62 171.65 1sxl n ASN 20 N 3.98 0.00 -3.98 3.99 2.85 -1.26 -2.27 115.26 118.57 1sxl n ASN 20 Ca -0.19 0.00 -0.36 0.00 -0.11 0.00 0.00 54.58 53.92 1sxl n ASN 20 Cb 0.52 0.00 0.04 0.00 1.24 0.00 0.00 39.78 41.58 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 -5.55 -2.55 1.20 -0.00 -1.19 -4.89 117.00 104.02 1sxl n LEU 21 Ca 0.00 0.15 -0.28 0.00 -0.00 0.00 0.00 56.01 55.88 1sxl n LEU 21 Cb 0.00 -0.72 0.00 0.00 -0.00 0.00 0.00 43.42 42.71 1sxl n LEU 21 CO 0.00 -5.47 0.33 -0.81 -0.00 0.00 0.00 177.39 171.43 1sxl n PRO 22 N 2.49 3.37 -1.54 1.47 -0.04 -1.26 -4.88 135.00 134.60 1sxl n PRO 22 Ca -0.02 -4.43 -0.12 0.00 -0.04 0.00 0.00 63.50 58.89 1sxl n PRO 22 Cb 0.59 -2.25 -0.04 0.00 -0.04 0.00 0.00 33.50 31.75 1sxl n PRO 22 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1sxl n ARG 23 N -0.47 -1.44 0.08 0.54 0.63 -1.26 -4.75 116.66 109.98 1sxl n ARG 23 Ca 0.40 0.66 0.03 0.00 -0.92 0.00 0.00 57.85 58.03 1sxl n ARG 23 Cb 0.60 -4.95 -0.03 0.00 0.45 0.00 0.00 32.46 28.53 1sxl n ARG 23 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1sxl h THR 24 N 0.00 0.47 -3.43 5.15 1.03 -1.94 -3.47 112.91 110.72 1sxl h THR 24 Ca -0.24 -1.82 0.00 0.00 -0.01 0.00 0.00 66.41 64.33 1sxl h THR 24 Cb 0.84 2.02 0.00 0.00 -1.07 0.00 0.00 68.15 69.94 1sxl h THR 24 CO 0.34 0.27 0.00 2.30 -0.01 0.00 0.00 175.52 178.42 1sxl n ILE 25 N -2.93 0.00 -4.32 0.00 -5.35 -1.26 -5.13 119.36 100.37 1sxl n ILE 25 Ca -0.05 0.00 -0.21 0.00 -0.27 0.00 0.00 62.75 62.22 1sxl n ILE 25 Cb 0.75 -0.62 -0.16 0.00 -1.74 0.00 0.00 39.64 37.87 1sxl n ILE 25 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 1sxl s THR 26 N 1.03 0.74 0.09 7.28 -1.32 -1.26 -5.03 115.64 117.17 1sxl s THR 26 Ca 0.00 -0.25 -0.23 0.00 -1.21 0.00 0.00 61.69 60.00 1sxl s THR 26 Cb 0.00 -0.72 -0.14 0.00 -1.51 0.00 0.00 72.50 70.14 1sxl s THR 26 CO 0.00 0.27 1.74 0.44 -2.21 0.00 0.00 174.62 174.85 1sxl h ASP 27 N 7.04 -0.02 -0.71 8.08 5.19 -1.96 -0.16 116.42 133.89 1sxl h ASP 27 Ca -0.36 0.01 0.21 0.00 -0.62 0.00 0.00 57.03 56.27 1sxl h ASP 27 Cb 1.17 0.01 -0.03 0.00 0.18 0.00 0.00 39.33 40.66 1sxl h ASP 27 CO 0.48 -0.01 0.69 -0.78 -3.12 0.00 0.00 179.24 176.50 1sxl h ASP 28 N 0.00 0.00 -0.05 6.45 3.58 -1.96 0.34 116.42 124.79 1sxl h ASP 28 Ca 0.01 0.00 -0.19 0.00 0.42 0.00 0.00 57.03 57.27 1sxl h ASP 28 Cb 0.02 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.08 1sxl h ASP 28 CO -0.02 0.00 -0.71 -0.61 -2.88 0.00 0.00 179.24 175.02 1sxl h GLN 29 N 0.00 0.57 -1.23 0.28 4.15 -1.45 -3.16 115.11 114.27 1sxl h GLN 29 Ca 0.34 -0.55 0.36 0.00 0.77 0.00 0.00 58.65 59.57 1sxl h GLN 29 Cb 1.72 0.14 -0.08 0.00 0.21 0.00 0.00 27.48 29.47 1sxl h GLN 29 CO -0.00 1.17 0.85 -0.07 -1.93 0.00 0.00 178.83 178.84 1sxl h LEU 30 N 0.17 0.18 0.74 -2.39 4.07 0.01 -1.02 115.31 117.07 1sxl h LEU 30 Ca -0.07 0.05 -0.04 0.00 0.08 0.00 0.00 57.88 57.90 1sxl h LEU 30 Cb 1.38 0.02 0.01 0.00 1.08 0.00 0.00 40.66 43.15 1sxl h LEU 30 CO 0.14 -0.00 -0.36 -0.78 -1.08 0.00 0.00 178.44 176.36 1sxl h ASP 31 N 0.14 -0.84 0.12 -0.43 1.82 -1.55 -1.87 116.42 113.79 1sxl h ASP 31 Ca 0.65 0.03 0.00 0.00 -0.39 0.00 0.00 57.03 57.32 1sxl h ASP 31 Cb 2.22 0.22 0.00 0.00 0.68 0.00 0.00 39.33 42.45 1sxl h ASP 31 CO -0.17 -0.60 0.00 0.41 -1.61 0.00 0.00 179.24 177.28 1sxl n THR 32 N -4.72 1.69 0.09 2.25 -1.04 -0.49 -1.01 114.28 111.06 1sxl n THR 32 Ca -0.12 0.42 -0.23 0.00 -2.04 0.00 0.00 64.05 62.07 1sxl n THR 32 Cb 0.39 -1.36 -0.15 0.00 -1.82 0.00 0.00 70.33 67.39 1sxl n THR 32 CO 0.00 0.00 0.00 -0.29 -0.64 0.00 0.00 175.07 174.14 1sxl h ILE 33 N 0.00 1.04 0.00 12.58 2.10 -0.50 -3.43 117.51 129.30 1sxl h ILE 33 Ca 0.00 -2.55 -0.16 0.00 1.08 0.00 0.00 64.86 63.23 1sxl h ILE 33 Cb 0.06 2.84 -0.02 0.00 -1.09 0.00 0.00 36.82 38.61 1sxl h ILE 33 CO 0.00 0.84 -1.34 2.22 -1.08 0.00 0.00 178.15 178.79 1sxl n PHE 34 N -3.65 0.00 -2.34 2.19 1.16 -0.86 -4.98 117.46 108.97 1sxl n PHE 34 Ca -0.23 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.35 1sxl n PHE 34 Cb 1.07 -0.46 0.00 0.00 -1.61 0.00 0.00 39.48 38.49 1sxl n PHE 34 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 1sxl n GLY 35 N 2.13 0.00 0.00 4.97 0.00 -0.18 -4.66 105.19 107.45 1sxl n GLY 35 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.51 2.34 -0.08 1.61 3.00 -1.26 -4.90 118.16 118.36 1sxl n LYS 36 Ca 0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 58.31 58.14 1sxl n LYS 36 Cb 0.00 -0.46 -0.13 0.00 0.00 0.00 0.00 35.03 34.43 1sxl n LYS 36 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.40 179.88 1sxl n TYR 37 N -0.29 0.47 -3.03 5.64 4.11 -1.26 -5.04 117.16 117.76 1sxl n TYR 37 Ca 0.00 0.11 0.00 0.00 -0.00 0.00 0.00 57.90 58.01 1sxl n TYR 37 Cb 0.00 -1.07 0.00 0.00 -0.00 0.00 0.00 39.34 38.27 1sxl n TYR 37 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 1sxl n GLY 38 N 2.04 3.94 1.87 -7.48 0.00 -1.26 -5.04 105.19 99.26 1sxl n GLY 38 Ca -0.37 -1.27 -0.21 0.00 0.00 0.00 0.00 46.02 44.16 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 -0.90 4.87 -1.11 1.61 3.41 -1.26 -4.80 113.62 115.45 1sxl n SER 39 Ca 0.00 -3.77 0.00 0.00 -0.26 0.00 0.00 58.87 54.84 1sxl n SER 39 Cb 0.00 -0.67 0.00 0.00 -0.26 0.00 0.00 64.21 63.28 1sxl n SER 39 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 1sxl n ILE 40 N -0.95 -0.59 -0.07 -1.33 -0.00 -1.26 -4.95 119.36 110.22 1sxl n ILE 40 Ca 0.48 0.29 -0.09 0.00 -0.00 0.00 0.00 62.75 63.43 1sxl n ILE 40 Cb 0.97 -0.45 -0.07 0.00 -0.00 0.00 0.00 39.64 40.09 1sxl n ILE 40 CO 0.00 0.00 0.00 0.52 -0.00 0.00 0.00 176.55 177.07 1sxl n VAL 41 N -1.85 0.78 0.00 7.28 0.31 -1.21 -4.85 118.33 118.78 1sxl n VAL 41 Ca 0.00 -0.33 0.00 0.00 -0.01 0.00 0.00 64.34 64.00 1sxl n VAL 41 Cb 0.06 -0.94 0.00 0.00 -0.91 0.00 0.00 33.84 32.06 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 -2.81 0.00 -4.22 5.55 0.00 -1.26 -4.83 117.38 109.81 1sxl n GLN 42 Ca -0.23 0.00 -0.29 0.00 -0.00 0.00 0.00 57.00 56.48 1sxl n GLN 42 Cb 0.77 0.00 -0.09 0.00 0.00 0.00 0.00 30.24 30.92 1sxl n GLN 42 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.06 175.47 1sxl s LYS 43 N 0.00 2.17 0.31 3.69 -2.85 -1.26 -3.76 119.74 118.05 1sxl s LYS 43 Ca 0.00 -1.04 -0.19 0.00 -1.00 0.00 0.00 55.97 53.75 1sxl s LYS 43 Cb 0.00 -2.31 0.03 0.00 -2.06 0.00 0.00 37.83 33.49 1sxl s LYS 43 CO 0.00 0.50 0.73 1.21 0.10 0.00 0.00 175.35 177.89 1sxl s ASN 44 N -2.32 -0.15 -0.10 0.03 2.47 -0.39 -4.83 114.94 109.64 1sxl s ASN 44 Ca 0.22 -0.81 -0.22 0.00 0.42 0.00 0.00 52.86 52.48 1sxl s ASN 44 Cb -0.11 0.76 0.05 0.00 -1.45 0.00 0.00 41.25 40.50 1sxl s ASN 44 CO 0.15 -1.45 0.52 -0.51 -3.72 0.00 0.00 177.10 172.09 1sxl s ILE 45 N -3.40 0.02 -0.10 -5.21 2.07 -1.26 -1.84 121.20 111.47 1sxl s ILE 45 Ca 0.13 -0.13 -0.17 0.00 -1.41 0.00 0.00 60.65 59.06 1sxl s ILE 45 Cb -0.05 -0.80 0.04 0.00 0.13 0.00 0.00 42.46 41.78 1sxl s ILE 45 CO 0.09 -0.07 0.44 -1.48 -1.91 0.00 0.00 174.94 172.00 1sxl s LEU 46 N -0.66 0.34 0.00 8.50 2.34 -1.07 -5.04 118.68 123.10 1sxl s LEU 46 Ca -0.07 0.61 0.00 0.00 0.06 0.00 0.00 54.13 54.73 1sxl s LEU 46 Cb -0.03 1.59 0.00 0.00 -0.56 0.00 0.00 46.19 47.19 1sxl s LEU 46 CO 0.05 -0.31 0.00 -1.14 -1.06 0.00 0.00 176.35 173.88 1sxl n ARG 47 N 2.06 0.00 -3.66 1.48 0.63 -1.26 -2.53 116.66 113.37 1sxl n ARG 47 Ca -0.17 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.76 1sxl n ARG 47 Cb 0.57 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.48 1sxl n ARG 47 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1sxl n ASP 48 N -0.67 0.00 0.05 6.15 8.00 -1.26 -4.73 116.55 124.09 1sxl n ASP 48 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1sxl n ASP 48 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1sxl n ASP 48 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1sxl n LYS 49 N -0.69 0.00 -1.71 -1.24 5.02 -1.26 -4.84 118.16 113.44 1sxl n LYS 49 Ca 0.00 0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 55.93 1sxl n LYS 49 Cb 0.00 0.00 0.02 0.00 -0.02 0.00 0.00 35.03 35.03 1sxl n LYS 49 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1sxl n LEU 50 N -2.74 7.29 0.22 -0.35 7.99 -1.26 -4.48 117.00 123.68 1sxl n LEU 50 Ca 0.00 -4.54 0.00 0.00 -0.01 0.00 0.00 56.01 51.46 1sxl n LEU 50 Cb 0.00 -1.09 0.00 0.00 -0.11 0.00 0.00 43.42 42.22 1sxl n LEU 50 CO 0.00 1.69 0.00 0.41 -1.51 0.00 0.00 177.39 177.98 1sxl n THR 51 N -0.24 0.00 0.00 -5.08 -1.04 -1.26 -5.13 114.28 101.53 1sxl n THR 51 Ca 0.53 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.54 1sxl n THR 51 Cb 0.37 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.88 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 -1.48 0.51 3.12 3.41 0.00 -1.26 -5.11 105.19 104.37 1sxl n GLY 52 Ca 0.00 0.61 -0.37 0.00 0.00 0.00 0.00 46.02 46.26 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 0.00 2.28 -0.02 1.61 3.00 -1.26 -4.80 118.95 119.76 1sxl s ARG 53 Ca 0.00 -2.09 0.20 0.00 0.00 0.00 0.00 55.73 53.84 1sxl s ARG 53 Cb 0.00 -3.69 -0.28 0.00 0.00 0.00 0.00 34.95 30.99 1sxl s ARG 53 CO 0.00 -1.13 0.56 -0.35 0.00 0.00 0.00 175.30 174.39 1sxl n PRO 54 N 4.20 0.60 0.00 3.54 -0.04 -1.26 -4.97 135.00 137.07 1sxl n PRO 54 Ca 0.01 -0.12 0.00 0.00 -0.04 0.00 0.00 63.50 63.35 1sxl n PRO 54 Cb 0.40 -1.46 0.00 0.00 -0.04 0.00 0.00 33.50 32.40 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 -1.96 0.00 0.00 0.54 1.74 -1.26 -5.17 116.66 110.56 1sxl n ARG 55 Ca -0.01 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.07 1sxl n ARG 55 Cb 0.45 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.89 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 0.00 0.81 3.84 -0.13 0.00 -1.26 -5.06 105.19 103.38 1sxl n GLY 56 Ca 0.00 -0.28 -0.05 0.00 0.00 0.00 0.00 46.02 45.69 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 2.60 0.00 0.09 1.61 -7.23 -1.05 -4.85 120.40 111.57 1sxl s VAL 57 Ca 0.00 -0.73 -0.10 0.00 -1.81 0.00 0.00 61.98 59.34 1sxl s VAL 57 Cb 0.00 -2.67 0.00 0.00 0.56 0.00 0.00 36.38 34.27 1sxl s VAL 57 CO 0.00 0.00 0.22 0.00 -0.31 0.00 0.00 175.10 175.01 1sxl s ALA 58 N -2.50 -0.33 -0.13 1.32 0.00 -0.10 -2.59 121.76 117.43 1sxl s ALA 58 Ca 0.18 -0.52 -0.01 0.00 0.00 0.00 0.00 51.96 51.60 1sxl s ALA 58 Cb -0.03 0.50 0.04 0.00 0.00 0.00 0.00 23.12 23.63 1sxl s ALA 58 CO 0.06 -0.52 -0.03 -0.06 0.00 0.00 0.00 175.76 175.22 1sxl s PHE 59 N -3.79 1.24 0.53 0.00 0.08 -0.77 -0.33 117.98 114.95 1sxl s PHE 59 Ca 0.04 -0.71 -0.06 0.00 0.12 0.00 0.00 56.93 56.33 1sxl s PHE 59 Cb 0.04 -1.10 -0.02 0.00 -0.57 0.00 0.00 43.02 41.37 1sxl s PHE 59 CO -0.11 -0.51 0.85 0.54 -0.10 0.00 0.00 175.22 175.89 1sxl s VAL 60 N 1.79 4.36 -0.54 -0.44 0.11 -0.52 -1.27 120.40 123.89 1sxl s VAL 60 Ca 0.03 0.15 -0.28 0.00 -2.93 0.00 0.00 61.98 58.94 1sxl s VAL 60 Cb -0.14 -3.69 0.03 0.00 -1.53 0.00 0.00 36.38 31.05 1sxl s VAL 60 CO -0.07 -0.70 1.19 -0.13 -3.33 0.00 0.00 175.10 172.06 1sxl s ARG 61 N -4.87 3.58 -0.21 1.54 0.52 -1.25 -2.48 118.95 115.79 1sxl s ARG 61 Ca 0.51 0.38 -0.27 0.00 -0.52 0.00 0.00 55.73 55.82 1sxl s ARG 61 Cb -0.10 -3.98 0.10 0.00 0.52 0.00 0.00 34.95 31.48 1sxl s ARG 61 CO 0.45 -1.59 0.85 0.71 0.02 0.00 0.00 175.30 175.75 1sxl s TYR 62 N 4.85 -0.59 0.00 -0.53 2.02 -1.26 -3.36 117.35 118.48 1sxl s TYR 62 Ca 0.45 1.29 0.00 0.00 -0.37 0.00 0.00 57.07 58.45 1sxl s TYR 62 Cb -0.08 0.36 0.00 0.00 -0.40 0.00 0.00 41.96 41.84 1sxl s TYR 62 CO 0.28 -0.38 0.00 0.27 -1.57 0.00 0.00 175.55 174.15 1sxl n ASN 63 N 1.81 0.00 -0.26 2.29 2.04 -1.26 -1.63 115.26 118.25 1sxl n ASN 63 Ca -0.14 0.00 0.00 0.00 -0.44 0.00 0.00 54.58 54.00 1sxl n ASN 63 Cb 0.56 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.81 1sxl n ASN 63 CO 0.00 0.00 0.00 0.29 -0.44 0.00 0.00 177.26 177.11 1sxl n LYS 64 N 0.00 0.00 -0.15 -3.83 5.02 -1.23 -3.15 118.16 114.83 1sxl n LYS 64 Ca 0.00 0.00 0.14 0.00 -2.02 0.00 0.00 58.31 56.43 1sxl n LYS 64 Cb 0.00 0.00 0.26 0.00 -0.02 0.00 0.00 35.03 35.27 1sxl n LYS 64 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1sxl n ARG 65 N 0.62 -0.03 0.26 1.97 3.00 -1.12 0.25 116.66 121.61 1sxl n ARG 65 Ca 0.00 0.61 -0.15 0.00 -0.01 0.00 0.00 57.85 58.30 1sxl n ARG 65 Cb 0.00 -1.10 -0.08 0.00 0.00 0.00 0.00 32.46 31.28 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 -0.63 -0.88 5.56 4.81 -1.91 -2.43 114.58 119.09 1sxl h GLU 66 Ca 0.38 0.04 0.24 0.00 -0.13 0.00 0.00 59.36 59.89 1sxl h GLU 66 Cb 1.01 0.14 -0.15 0.00 0.63 0.00 0.00 28.75 30.39 1sxl h GLU 66 CO -0.34 -0.34 0.22 1.49 -0.73 0.00 0.00 179.01 179.31 1sxl h GLU 67 N -0.86 0.18 -0.52 1.92 4.81 0.31 1.00 114.58 121.41 1sxl h GLU 67 Ca -0.07 -0.01 0.06 0.00 -0.13 0.00 0.00 59.36 59.21 1sxl h GLU 67 Cb 0.58 -0.04 -0.05 0.00 0.63 0.00 0.00 28.75 29.87 1sxl h GLU 67 CO 0.11 0.12 0.23 0.00 -0.73 0.00 0.00 179.01 178.74 1sxl h ALA 68 N 1.80 0.66 -1.05 2.92 0.00 -1.15 0.26 119.26 122.71 1sxl h ALA 68 Ca 0.56 0.04 0.32 0.00 0.00 0.00 0.00 54.91 55.83 1sxl h ALA 68 Cb 1.13 -0.02 -0.14 0.00 0.00 0.00 0.00 17.79 18.77 1sxl h ALA 68 CO -0.68 -0.14 0.62 0.37 0.00 0.00 0.00 179.25 179.42 1sxl h GLN 69 N 0.45 0.32 0.32 0.00 4.15 0.15 0.67 115.11 121.18 1sxl h GLN 69 Ca 0.24 -0.02 -0.00 0.00 0.77 0.00 0.00 58.65 59.64 1sxl h GLN 69 Cb 0.21 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 27.81 1sxl h GLN 69 CO -0.21 0.21 -0.26 0.93 -1.93 0.00 0.00 178.83 177.57 1sxl h GLU 70 N 0.33 -0.57 0.00 1.69 4.39 -0.06 0.55 114.58 120.91 1sxl h GLU 70 Ca 0.72 0.04 0.00 0.00 0.34 0.00 0.00 59.36 60.46 1sxl h GLU 70 Cb 1.72 0.13 0.00 0.00 -0.10 0.00 0.00 28.75 30.50 1sxl h GLU 70 CO -0.53 -0.38 0.00 0.00 -1.16 0.00 0.00 179.01 176.94 1sxl n ALA 71 N -2.51 1.11 -0.04 3.43 0.00 0.22 -0.20 120.51 122.51 1sxl n ALA 71 Ca -0.09 0.13 -0.01 0.00 0.00 0.00 0.00 53.44 53.46 1sxl n ALA 71 Cb 0.29 -1.23 -0.00 0.00 0.00 0.00 0.00 19.45 18.51 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 0.10 0.24 117.51 118.93 1sxl h ILE 72 Ca 0.00 -0.75 0.00 0.00 -0.39 0.00 0.00 64.86 63.72 1sxl h ILE 72 Cb 0.04 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 33.79 1sxl h ILE 72 CO 0.00 0.00 0.00 -1.20 -0.69 0.00 0.00 178.15 176.26 1sxl n SER 73 N -4.06 0.00 0.02 1.72 7.64 -0.64 -2.16 113.62 116.14 1sxl n SER 73 Ca -0.02 -1.47 0.00 0.00 1.01 0.00 0.00 58.87 58.40 1sxl n SER 73 Cb 0.06 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.26 1sxl n SER 73 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1sxl n ALA 74 N -0.67 3.00 0.13 -0.43 0.00 0.72 -4.83 120.51 118.44 1sxl n ALA 74 Ca 0.07 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.52 1sxl n ALA 74 Cb 0.03 0.24 0.02 0.00 0.00 0.00 0.00 19.45 19.74 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 -8.22 0.00 4.07 -0.66 -3.39 115.31 107.11 1sxl h LEU 75 Ca 0.00 0.00 -0.37 0.00 0.08 0.00 0.00 57.88 57.59 1sxl h LEU 75 Cb 0.41 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 42.10 1sxl h LEU 75 CO 0.00 0.60 1.48 -0.46 -1.08 0.00 0.00 178.44 178.98 1sxl n ASN 76 N -3.28 0.73 -1.97 -0.43 2.04 -0.23 -0.08 115.26 112.04 1sxl n ASN 76 Ca 0.01 -0.46 -0.04 0.00 -0.44 0.00 0.00 54.58 53.65 1sxl n ASN 76 Cb 0.76 -1.15 0.02 0.00 -2.53 0.00 0.00 39.78 36.88 1sxl n ASN 76 CO 0.00 0.00 0.00 0.59 -0.44 0.00 0.00 177.26 177.41 1sxl n ASN 77 N 12.36 -3.17 -4.42 0.53 3.02 -1.20 -4.86 115.26 117.52 1sxl n ASN 77 Ca 0.55 -0.20 -0.42 0.00 -0.03 0.00 0.00 54.58 54.48 1sxl n ASN 77 Cb 0.26 -1.86 -0.00 0.00 -0.61 0.00 0.00 39.78 37.57 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 -1.99 3.75 -3.35 2.41 0.24 0.89 -4.85 118.33 115.43 1sxl n VAL 78 Ca -0.03 -3.79 0.00 0.00 -2.04 0.00 0.00 64.34 58.48 1sxl n VAL 78 Cb 0.54 -2.39 0.00 0.00 -1.47 0.00 0.00 33.84 30.52 1sxl n VAL 78 CO 0.00 0.00 0.00 2.30 -2.14 0.00 0.00 176.83 176.99 1sxl n ILE 79 N 6.22 0.00 -1.39 1.34 -5.35 -1.26 -4.90 119.36 114.01 1sxl n ILE 79 Ca 0.49 0.00 -0.31 0.00 -0.27 0.00 0.00 62.75 62.66 1sxl n ILE 79 Cb 0.45 0.00 0.09 0.00 -1.74 0.00 0.00 39.64 38.44 1sxl n ILE 79 CO 0.00 0.00 0.00 -0.81 -1.76 0.00 0.00 176.55 173.98 1sxl n PRO 80 N 0.00 2.70 -3.77 6.28 -0.04 -1.26 -4.91 135.00 134.00 1sxl n PRO 80 Ca 0.00 -3.34 -0.35 0.00 -0.04 0.00 0.00 63.50 59.77 1sxl n PRO 80 Cb 0.00 -2.26 0.04 0.00 -0.04 0.00 0.00 33.50 31.24 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 -0.94 -0.98 0.00 0.54 0.00 -1.26 -4.41 120.64 113.59 1sxl n GLU 81 Ca 0.60 0.37 0.00 0.00 0.00 0.00 0.00 57.16 58.13 1sxl n GLU 81 Cb 0.84 -3.74 0.00 0.00 0.00 0.00 0.00 31.44 28.55 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 -1.78 1.20 1.72 8.31 0.00 -1.26 -5.14 105.19 108.25 1sxl n GLY 82 Ca -0.10 -0.05 -0.12 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.62 2.52 -0.02 0.00 -1.26 -4.96 105.19 98.85 1sxl n GLY 83 Ca 0.00 -0.85 -0.27 0.00 0.00 0.00 0.00 46.02 44.90 1sxl n GLY 83 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1sxl n SER 84 N -2.58 1.81 -2.71 1.61 3.41 -1.26 -4.91 113.62 108.98 1sxl n SER 84 Ca 0.05 -2.97 -0.07 0.00 -0.26 0.00 0.00 58.87 55.63 1sxl n SER 84 Cb 0.23 -0.66 0.08 0.00 -0.26 0.00 0.00 64.21 63.60 1sxl n SER 84 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1sxl n GLN 85 N 1.79 0.65 -0.75 4.33 10.64 -1.26 -4.82 117.38 127.95 1sxl n GLN 85 Ca 0.25 -1.45 -0.02 0.00 -1.83 0.00 0.00 57.00 53.95 1sxl n GLN 85 Cb 0.43 -0.87 0.01 0.00 -0.86 0.00 0.00 30.24 28.95 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 0.93 0.57 -3.68 2.61 -0.04 -1.26 -4.59 135.00 129.54 1sxl n PRO 86 Ca 0.04 -0.18 -0.11 0.00 -0.04 0.00 0.00 63.50 63.21 1sxl n PRO 86 Cb 0.69 -0.04 -0.11 0.00 -0.04 0.00 0.00 33.50 33.99 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 -0.21 -0.71 1.53 2.34 -1.26 -3.15 118.68 117.22 1sxl s LEU 87 Ca 0.04 0.78 -0.27 0.00 0.06 0.00 0.00 54.13 54.74 1sxl s LEU 87 Cb -0.00 1.07 0.02 0.00 -0.56 0.00 0.00 46.19 46.72 1sxl s LEU 87 CO 0.03 -0.21 1.39 -0.55 -1.06 0.00 0.00 176.35 175.95 1sxl s SER 88 N 1.97 6.00 0.38 1.48 0.15 -0.96 -3.24 113.70 119.47 1sxl s SER 88 Ca -0.05 -0.29 -0.24 0.00 0.70 0.00 0.00 55.95 56.08 1sxl s SER 88 Cb -0.11 -2.55 -0.10 0.00 -1.71 0.00 0.00 66.02 61.55 1sxl s SER 88 CO -0.11 -1.94 0.98 0.68 1.20 0.00 0.00 173.24 174.05 1sxl s VAL 89 N 6.36 4.11 0.00 4.45 -7.23 -1.26 -2.58 120.40 124.25 1sxl s VAL 89 Ca 0.41 1.58 0.00 0.00 -1.81 0.00 0.00 61.98 62.17 1sxl s VAL 89 Cb -0.09 -3.80 0.00 0.00 0.56 0.00 0.00 36.38 33.05 1sxl s VAL 89 CO 0.16 -0.02 0.00 -1.14 -0.31 0.00 0.00 175.10 173.79 1sxl n ARG 90 N 0.04 0.00 -1.12 4.82 0.00 -1.26 -4.84 116.66 114.30 1sxl n ARG 90 Ca 0.04 0.00 -0.37 0.00 -0.00 0.00 0.00 57.85 57.53 1sxl n ARG 90 Cb 0.51 0.00 -0.01 0.00 0.00 0.00 0.00 32.46 32.96 1sxl n ARG 90 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 1sxl n LEU 91 N 0.00 -2.08 0.00 6.15 4.32 -1.26 -2.16 117.00 121.97 1sxl n LEU 91 Ca 0.00 0.75 0.00 0.00 -0.02 0.00 0.00 56.01 56.74 1sxl n LEU 91 Cb 0.00 -0.76 0.00 0.00 -1.62 0.00 0.00 43.42 41.04 1sxl n LEU 91 CO 0.00 -3.29 0.00 0.00 -1.22 0.00 0.00 177.39 172.88 1sxl n ALA 92 N -0.64 0.00 -3.34 -1.18 0.00 -1.24 -4.54 120.51 109.57 1sxl n ALA 92 Ca 0.11 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.29 1sxl n ALA 92 Cb 0.31 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.67 1sxl n ALA 92 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1sxl n GLU 93 N -0.68 1.32 0.00 0.00 2.13 -1.26 -4.53 120.64 117.62 1sxl n GLU 93 Ca 0.00 -3.78 0.00 0.00 0.66 0.00 0.00 57.16 54.04 1sxl n GLU 93 Cb 0.00 -1.68 0.00 0.00 0.27 0.00 0.00 31.44 30.03 1sxl n GLU 93 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1sxl n GLU 94 N 1.43 0.00 -1.42 5.31 2.13 -1.26 -5.13 120.64 121.70 1sxl n GLU 94 Ca 0.25 0.00 -0.36 0.00 0.66 0.00 0.00 57.16 57.71 1sxl n GLU 94 Cb 0.47 0.00 0.09 0.00 0.27 0.00 0.00 31.44 32.27 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 0.00 1.16 0.00 4.31 8.25 -1.26 -4.99 115.22 122.68 1sxl n HIS 95 Ca 0.00 0.41 0.00 0.00 -0.26 0.00 0.00 57.72 57.87 1sxl n HIS 95 Cb 0.00 -2.14 0.00 0.00 1.12 0.00 0.00 29.99 28.97 1sxl n HIS 95 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1sxl n GLY 96 N 0.94 2.91 0.57 -1.41 0.00 -1.26 -4.74 105.19 102.20 1sxl n GLY 96 Ca 0.14 -0.28 0.07 0.00 0.00 0.00 0.00 46.02 45.95 1sxl n GLY 96 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90