#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 -0.01 -0.30 3.17 0.15 -1.26 -5.16 113.70 110.29 1sxl s SER 2 Ca 0.00 -0.00 -0.13 0.00 0.70 0.00 0.00 55.95 56.52 1sxl s SER 2 Cb 0.00 0.02 0.17 0.00 -1.71 0.00 0.00 66.02 64.50 1sxl s SER 2 CO 0.00 -0.03 0.97 -0.31 1.20 0.00 0.00 173.24 175.07 1sxl s TYR 3 N -2.05 -0.72 0.00 3.44 2.02 -1.26 -5.15 117.35 113.64 1sxl s TYR 3 Ca 0.12 1.04 0.00 0.00 -0.37 0.00 0.00 57.07 57.87 1sxl s TYR 3 Cb 0.01 0.36 0.00 0.00 -0.40 0.00 0.00 41.96 41.93 1sxl s TYR 3 CO -0.03 -0.37 0.00 0.00 -1.57 0.00 0.00 175.55 173.57 1sxl n ALA 4 N 5.16 0.00 -2.80 3.71 0.00 -1.26 -4.69 120.51 120.63 1sxl n ALA 4 Ca -0.08 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.35 1sxl n ALA 4 Cb 0.53 0.00 0.05 0.00 0.00 0.00 0.00 19.45 20.02 1sxl n ALA 4 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1sxl n ARG 5 N 0.00 1.71 -1.38 0.00 0.63 -1.26 -5.00 116.66 111.35 1sxl n ARG 5 Ca 0.00 -3.50 -0.39 0.00 -0.92 0.00 0.00 57.85 53.05 1sxl n ARG 5 Cb 0.00 -1.58 0.03 0.00 0.45 0.00 0.00 32.46 31.35 1sxl n ARG 5 CO 0.00 0.00 0.00 -0.35 -2.51 0.00 0.00 177.63 174.77 1sxl n PRO 6 N -0.54 0.32 -3.61 -0.14 -0.04 -1.26 -4.97 135.00 124.75 1sxl n PRO 6 Ca 0.08 0.12 -0.14 0.00 -0.04 0.00 0.00 63.50 63.53 1sxl n PRO 6 Cb 0.81 -1.43 -0.07 0.00 -0.04 0.00 0.00 33.50 32.77 1sxl n PRO 6 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1sxl s GLY 7 N -1.10 -0.48 0.00 0.55 0.00 -1.26 -4.83 107.32 100.20 1sxl s GLY 7 Ca 0.64 2.01 0.00 0.00 0.00 0.00 0.00 44.72 47.38 1sxl s GLY 7 CO 0.59 1.61 0.00 0.61 0.00 0.00 0.00 173.10 175.90 1sxl n GLY 8 N 2.25 4.80 3.00 0.20 0.00 -1.26 -4.45 105.19 109.74 1sxl n GLY 8 Ca -0.14 -0.89 -0.31 0.00 0.00 0.00 0.00 46.02 44.68 1sxl n GLY 8 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1sxl s GLU 9 N -4.30 1.55 0.00 1.61 1.03 -1.26 -1.45 118.70 115.88 1sxl s GLU 9 Ca 0.00 -1.98 0.00 0.00 0.03 0.00 0.00 54.97 53.02 1sxl s GLU 9 Cb 0.00 -3.21 0.00 0.00 -0.80 0.00 0.00 34.13 30.12 1sxl s GLU 9 CO 0.00 -0.97 0.00 0.43 -1.33 0.00 0.00 175.26 173.39 1sxl n SER 10 N 4.08 0.00 -3.01 0.83 7.64 -1.26 -4.98 113.62 116.92 1sxl n SER 10 Ca 0.04 0.00 -0.34 0.00 1.01 0.00 0.00 58.87 59.58 1sxl n SER 10 Cb 0.40 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.57 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 -0.93 4.34 0.00 0.44 2.08 -1.26 -2.96 119.36 121.07 1sxl n ILE 11 Ca 0.00 -3.71 0.00 0.00 0.56 0.00 0.00 62.75 59.60 1sxl n ILE 11 Cb 0.00 -1.84 0.00 0.00 -0.75 0.00 0.00 39.64 37.05 1sxl n ILE 11 CO 0.00 0.00 0.00 2.29 0.56 0.00 0.00 176.55 179.40 1sxl n LYS 12 N 1.29 0.00 -0.12 0.38 2.85 -1.26 -4.68 118.16 116.63 1sxl n LYS 12 Ca 0.56 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.82 1sxl n LYS 12 Cb 0.39 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.78 1sxl n LYS 12 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1sxl n ASP 13 N 0.00 0.27 -2.75 -5.58 8.00 -1.26 -4.70 116.55 110.53 1sxl n ASP 13 Ca 0.00 -1.39 -0.08 0.00 0.71 0.00 0.00 54.79 54.03 1sxl n ASP 13 Cb 0.00 -0.06 0.05 0.00 -0.02 0.00 0.00 41.12 41.09 1sxl n ASP 13 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 1sxl n THR 14 N -0.10 0.00 -2.39 -3.53 -1.04 -1.26 -4.06 114.28 101.90 1sxl n THR 14 Ca 0.01 -1.46 -0.33 0.00 -2.04 0.00 0.00 64.05 60.23 1sxl n THR 14 Cb 0.53 1.46 -0.03 0.00 -1.82 0.00 0.00 70.33 70.47 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 -1.53 6.35 -0.44 8.00 0.01 -1.26 -1.90 114.94 124.17 1sxl s ASN 15 Ca 0.32 1.75 -0.17 0.00 -0.71 0.00 0.00 52.86 54.05 1sxl s ASN 15 Cb 0.22 -2.53 0.03 0.00 0.41 0.00 0.00 41.25 39.38 1sxl s ASN 15 CO -0.24 -0.77 0.43 -0.22 -1.51 0.00 0.00 177.10 174.79 1sxl s LEU 16 N -3.91 5.03 -1.10 0.60 2.96 -0.55 -4.27 118.68 117.44 1sxl s LEU 16 Ca 0.63 -0.84 -0.22 0.00 -0.22 0.00 0.00 54.13 53.49 1sxl s LEU 16 Cb -0.13 -2.32 0.05 0.00 0.50 0.00 0.00 46.19 44.28 1sxl s LEU 16 CO 0.27 -0.60 1.55 -0.47 -1.32 0.00 0.00 176.35 175.78 1sxl s TYR 17 N 2.04 2.57 -0.40 5.38 5.04 -0.99 -0.73 117.35 130.26 1sxl s TYR 17 Ca 0.10 -1.00 -0.29 0.00 -2.44 0.00 0.00 57.07 53.44 1sxl s TYR 17 Cb -0.19 -4.69 0.02 0.00 0.35 0.00 0.00 41.96 37.46 1sxl s TYR 17 CO 0.12 -1.89 1.12 0.14 -1.34 0.00 0.00 175.55 173.70 1sxl s VAL 18 N 5.01 4.32 0.29 3.14 -7.23 -0.46 -4.26 120.40 121.21 1sxl s VAL 18 Ca 0.49 1.44 0.10 0.00 -1.81 0.00 0.00 61.98 62.21 1sxl s VAL 18 Cb 0.01 -4.50 -0.05 0.00 0.56 0.00 0.00 36.38 32.40 1sxl s VAL 18 CO -0.04 -0.77 -0.09 -0.89 -0.31 0.00 0.00 175.10 173.00 1sxl s THR 19 N 4.14 2.78 -0.08 5.32 2.01 -1.04 -1.74 115.64 127.04 1sxl s THR 19 Ca 0.47 -2.16 -0.00 0.00 0.31 0.00 0.00 61.69 60.32 1sxl s THR 19 Cb -0.10 -2.59 -0.00 0.00 0.01 0.00 0.00 72.50 69.82 1sxl s THR 19 CO 0.25 -0.34 0.07 -3.20 -0.69 0.00 0.00 174.62 170.70 1sxl n ASN 20 N -0.78 -2.07 -3.63 3.53 4.05 -1.25 -0.53 115.26 114.57 1sxl n ASN 20 Ca -0.05 -0.04 -0.12 0.00 0.45 0.00 0.00 54.58 54.82 1sxl n ASN 20 Cb 0.60 -0.81 -0.07 0.00 1.23 0.00 0.00 39.78 40.73 1sxl n ASN 20 CO 0.00 0.00 0.00 -1.48 -3.05 0.00 0.00 177.26 172.73 1sxl s LEU 21 N -2.48 -0.81 0.00 1.20 2.34 -1.20 -3.86 118.68 113.88 1sxl s LEU 21 Ca 0.01 1.46 -0.06 0.00 0.06 0.00 0.00 54.13 55.59 1sxl s LEU 21 Cb -0.00 2.43 0.14 0.00 -0.56 0.00 0.00 46.19 48.20 1sxl s LEU 21 CO 0.05 -0.24 0.88 -0.81 -1.06 0.00 0.00 176.35 175.17 1sxl n PRO 22 N 3.21 -0.43 -0.71 1.48 -0.04 -1.26 -3.81 135.00 133.44 1sxl n PRO 22 Ca -0.16 -1.85 -0.13 0.00 -0.04 0.00 0.00 63.50 61.31 1sxl n PRO 22 Cb 0.56 -0.76 0.06 0.00 -0.04 0.00 0.00 33.50 33.33 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 -2.76 1.67 -0.05 0.54 1.85 -1.26 -4.32 116.66 112.32 1sxl n ARG 23 Ca 0.13 -1.44 -0.07 0.00 -1.00 0.00 0.00 57.85 55.47 1sxl n ARG 23 Cb 0.45 -1.56 -0.07 0.00 -1.05 0.00 0.00 32.46 30.23 1sxl n ARG 23 CO 0.00 0.00 0.00 1.15 -0.01 0.00 0.00 177.63 178.77 1sxl h THR 24 N 0.71 0.90 -3.70 8.89 2.02 -1.98 -3.46 112.91 116.28 1sxl h THR 24 Ca 0.29 -1.65 -0.47 0.00 0.77 0.00 0.00 66.41 65.35 1sxl h THR 24 Cb 1.42 1.68 0.20 0.00 -1.74 0.00 0.00 68.15 69.71 1sxl h THR 24 CO 0.61 0.30 0.11 0.27 0.37 0.00 0.00 175.52 177.19 1sxl s ILE 25 N -1.96 2.13 -0.10 3.11 -5.25 -1.26 -5.00 121.20 112.86 1sxl s ILE 25 Ca -0.10 0.04 -0.01 0.00 -0.99 0.00 0.00 60.65 59.59 1sxl s ILE 25 Cb -0.01 -2.16 -0.03 0.00 2.95 0.00 0.00 42.46 43.21 1sxl s ILE 25 CO 0.35 -0.06 -0.05 0.42 -1.79 0.00 0.00 174.94 173.82 1sxl s THR 26 N -2.60 3.86 0.07 8.37 -4.23 -1.26 -5.02 115.64 114.84 1sxl s THR 26 Ca 0.67 -0.40 -0.34 0.00 -1.18 0.00 0.00 61.69 60.43 1sxl s THR 26 Cb -0.23 -2.62 -0.17 0.00 1.34 0.00 0.00 72.50 70.81 1sxl s THR 26 CO 0.61 0.56 1.53 -0.78 -0.54 0.00 0.00 174.62 176.01 1sxl h ASP 27 N 5.73 -1.27 -0.18 3.99 3.58 -1.97 0.49 116.42 126.79 1sxl h ASP 27 Ca -0.43 0.09 0.05 0.00 0.42 0.00 0.00 57.03 57.16 1sxl h ASP 27 Cb 1.18 0.40 -0.01 0.00 1.72 0.00 0.00 39.33 42.63 1sxl h ASP 27 CO 0.56 -0.67 0.61 -2.24 -2.88 0.00 0.00 179.24 174.62 1sxl h ASP 28 N -1.04 0.00 -0.03 2.28 2.03 -1.95 0.11 116.42 117.81 1sxl h ASP 28 Ca -0.08 0.00 -0.10 0.00 -0.73 0.00 0.00 57.03 56.12 1sxl h ASP 28 Cb 0.87 0.00 0.01 0.00 -0.83 0.00 0.00 39.33 39.38 1sxl h ASP 28 CO 0.00 0.00 -0.37 -0.61 -1.03 0.00 0.00 179.24 177.23 1sxl h GLN 29 N 0.00 0.31 -0.76 4.15 4.15 -1.31 -3.02 115.11 118.63 1sxl h GLN 29 Ca 0.08 -0.29 0.22 0.00 0.77 0.00 0.00 58.65 59.44 1sxl h GLN 29 Cb 1.30 0.07 -0.03 0.00 0.21 0.00 0.00 27.48 29.03 1sxl h GLN 29 CO -0.00 0.96 0.89 -0.07 -1.93 0.00 0.00 178.83 178.68 1sxl h LEU 30 N -0.24 0.00 0.10 -2.39 4.07 -0.44 0.62 115.31 117.04 1sxl h LEU 30 Ca -0.04 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.92 1sxl h LEU 30 Cb 1.07 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.81 1sxl h LEU 30 CO 0.08 0.00 -0.05 -0.78 -1.08 0.00 0.00 178.44 176.60 1sxl h ASP 31 N 0.00 -0.12 -0.15 -0.43 3.58 -1.59 0.16 116.42 117.88 1sxl h ASP 31 Ca 0.36 -0.25 0.05 0.00 0.42 0.00 0.00 57.03 57.61 1sxl h ASP 31 Cb 2.14 0.03 -0.05 0.00 1.72 0.00 0.00 39.33 43.16 1sxl h ASP 31 CO -0.00 0.19 -0.20 0.74 -2.88 0.00 0.00 179.24 177.09 1sxl h THR 32 N -0.44 0.50 0.00 2.25 2.02 0.14 0.31 112.91 117.69 1sxl h THR 32 Ca -0.01 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.15 1sxl h THR 32 Cb 0.36 0.50 -0.00 0.00 -1.74 0.00 0.00 68.15 67.27 1sxl h THR 32 CO 0.02 0.00 -0.09 -0.29 0.37 0.00 0.00 175.52 175.53 1sxl h ILE 33 N -0.24 0.65 0.00 3.11 -0.00 -1.43 -3.31 117.51 116.28 1sxl h ILE 33 Ca 0.10 -0.39 0.00 0.00 -0.00 0.00 0.00 64.86 64.57 1sxl h ILE 33 Cb 0.40 1.25 0.00 0.00 -0.00 0.00 0.00 36.82 38.46 1sxl h ILE 33 CO -0.29 0.09 0.00 0.49 -0.00 0.00 0.00 178.15 178.45 1sxl n PHE 34 N -3.81 0.00 -1.76 2.19 3.72 0.10 -4.67 117.46 113.23 1sxl n PHE 34 Ca -0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.38 1sxl n PHE 34 Cb 0.19 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.73 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 0.90 0.00 0.00 1.37 0.00 -0.71 -4.39 105.19 102.36 1sxl n GLY 35 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.47 0.00 0.00 1.61 4.81 -1.26 -5.08 118.16 117.77 1sxl n LYS 36 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1sxl n LYS 36 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 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 0.00 0.00 -3.42 5.64 4.02 -1.26 -5.16 117.16 116.98 1sxl n TYR 37 Ca 0.00 0.00 -0.17 0.00 -0.01 0.00 0.00 57.90 57.72 1sxl n TYR 37 Cb 0.34 0.00 0.03 0.00 -0.02 0.00 0.00 39.34 39.69 1sxl n TYR 37 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1sxl n GLY 38 N -0.06 2.40 1.39 2.72 0.00 -1.26 -4.99 105.19 105.39 1sxl n GLY 38 Ca 0.00 -2.24 0.05 0.00 0.00 0.00 0.00 46.02 43.83 1sxl n GLY 38 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1sxl n SER 39 N -2.18 4.04 -1.06 1.61 7.64 -1.26 -4.79 113.62 117.62 1sxl n SER 39 Ca 0.05 -2.58 0.10 0.00 1.01 0.00 0.00 58.87 57.45 1sxl n SER 39 Cb 0.46 -0.61 -0.05 0.00 -1.01 0.00 0.00 64.21 63.00 1sxl n SER 39 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1sxl n ILE 40 N 0.43 -0.40 -2.60 0.44 5.41 -1.26 -4.82 119.36 116.56 1sxl n ILE 40 Ca 0.18 0.48 -0.15 0.00 1.00 0.00 0.00 62.75 64.26 1sxl n ILE 40 Cb 0.85 -0.76 0.02 0.00 -0.71 0.00 0.00 39.64 39.04 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 -3.66 1.48 -1.11 1.39 0.24 -1.01 -4.93 118.33 110.73 1sxl n VAL 41 Ca -0.05 -3.67 0.00 0.00 -2.04 0.00 0.00 64.34 58.58 1sxl n VAL 41 Cb 0.46 0.04 0.00 0.00 -1.47 0.00 0.00 33.84 32.87 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 -0.23 0.00 -2.70 7.34 0.00 -1.26 -4.56 117.38 115.96 1sxl n GLN 42 Ca 0.19 0.37 -0.37 0.00 -0.00 0.00 0.00 57.00 57.19 1sxl n GLN 42 Cb 0.77 -0.74 -0.06 0.00 0.00 0.00 0.00 30.24 30.22 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 4.48 -0.28 3.69 -2.85 -1.26 -4.14 119.74 119.38 1sxl s LYS 43 Ca 0.00 1.40 -0.10 0.00 -1.00 0.00 0.00 55.97 56.27 1sxl s LYS 43 Cb 0.00 -2.75 0.12 0.00 -2.06 0.00 0.00 37.83 33.14 1sxl s LYS 43 CO 0.00 0.17 0.61 0.54 0.10 0.00 0.00 175.35 176.77 1sxl s ASN 44 N -1.57 -1.00 0.58 0.03 2.20 -0.95 -4.94 114.94 109.29 1sxl s ASN 44 Ca 0.52 1.48 -0.07 0.00 -0.94 0.00 0.00 52.86 53.85 1sxl s ASN 44 Cb -0.20 2.10 -0.01 0.00 -2.00 0.00 0.00 41.25 41.14 1sxl s ASN 44 CO 0.26 -0.22 0.92 0.27 -2.94 0.00 0.00 177.10 175.38 1sxl s ILE 45 N 2.78 4.24 -0.19 0.54 -4.36 -1.26 -1.26 121.20 121.68 1sxl s ILE 45 Ca -0.06 0.30 -0.04 0.00 -0.26 0.00 0.00 60.65 60.59 1sxl s ILE 45 Cb -0.12 -3.67 0.09 0.00 1.25 0.00 0.00 42.46 40.01 1sxl s ILE 45 CO -0.18 -0.74 0.21 -0.76 0.24 0.00 0.00 174.94 173.70 1sxl s LEU 46 N -5.00 -0.06 0.00 0.37 2.01 -0.42 -4.80 118.68 110.78 1sxl s LEU 46 Ca 0.53 -0.23 0.00 0.00 0.01 0.00 0.00 54.13 54.43 1sxl s LEU 46 Cb -0.11 0.32 0.00 0.00 0.01 0.00 0.00 46.19 46.41 1sxl s LEU 46 CO 0.48 -0.33 0.00 -1.14 1.01 0.00 0.00 176.35 176.37 1sxl n ARG 47 N 5.32 0.00 -1.75 1.70 3.00 -1.26 -2.13 116.66 121.54 1sxl n ARG 47 Ca -0.06 0.00 -0.02 0.00 -0.00 0.00 0.00 57.85 57.78 1sxl n ARG 47 Cb 0.49 0.00 -0.00 0.00 0.00 0.00 0.00 32.46 32.95 1sxl n ARG 47 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.63 177.23 1sxl n ASP 48 N 0.00 1.30 0.11 6.15 5.75 -1.26 -5.00 116.55 123.60 1sxl n ASP 48 Ca 0.00 -1.12 0.00 0.00 -0.01 0.00 0.00 54.79 53.66 1sxl n ASP 48 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 1sxl n ASP 48 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1sxl n LYS 49 N -0.48 0.00 -0.04 0.11 5.02 -1.26 -5.02 118.16 116.49 1sxl n LYS 49 Ca -0.00 0.00 -0.04 0.00 -2.02 0.00 0.00 58.31 56.24 1sxl n LYS 49 Cb 0.04 -0.16 -0.01 0.00 -0.02 0.00 0.00 35.03 34.87 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 -3.43 1.05 -4.00 -0.35 4.77 -1.26 -5.11 117.00 108.68 1sxl n LEU 50 Ca 0.00 0.17 -0.13 0.00 -0.03 0.00 0.00 56.01 56.03 1sxl n LEU 50 Cb 0.00 -0.57 -0.02 0.00 -2.33 0.00 0.00 43.42 40.50 1sxl n LEU 50 CO 0.00 -0.41 0.27 0.42 -1.33 0.00 0.00 177.39 176.34 1sxl s THR 51 N -2.03 0.00 0.00 -5.08 -4.23 -1.26 -4.95 115.64 98.09 1sxl s THR 51 Ca -0.14 -1.40 0.00 0.00 -1.18 0.00 0.00 61.69 58.97 1sxl s THR 51 Cb 0.02 -2.72 0.00 0.00 1.34 0.00 0.00 72.50 71.14 1sxl s THR 51 CO 0.21 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.90 1sxl n GLY 52 N -0.56 0.79 3.73 3.99 0.00 -1.26 -5.00 105.19 106.88 1sxl n GLY 52 Ca -0.02 -0.66 -0.42 0.00 0.00 0.00 0.00 46.02 44.92 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 -1.30 2.54 -0.10 1.61 1.85 -1.26 -4.92 116.66 115.08 1sxl n ARG 53 Ca 0.00 0.90 -0.21 0.00 -1.00 0.00 0.00 57.85 57.54 1sxl n ARG 53 Cb 0.29 -2.64 -0.07 0.00 -1.05 0.00 0.00 32.46 28.99 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 1.82 0.42 0.00 2.89 -0.04 -1.26 -5.07 135.00 133.76 1sxl n PRO 54 Ca 0.08 0.18 0.00 0.00 -0.04 0.00 0.00 63.50 63.72 1sxl n PRO 54 Cb 0.36 -1.20 0.00 0.00 -0.04 0.00 0.00 33.50 32.62 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 -3.90 0.00 0.00 0.54 1.74 -1.26 -5.16 116.66 108.62 1sxl n ARG 55 Ca -0.38 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.70 1sxl n ARG 55 Cb 0.76 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.20 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 1.74 2.86 -0.13 0.00 -1.25 -4.37 105.19 104.04 1sxl n GLY 56 Ca 0.00 0.14 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 1sxl n GLY 56 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sxl s VAL 57 N 0.00 1.15 0.54 1.61 0.11 -0.90 -3.23 120.40 119.68 1sxl s VAL 57 Ca 0.00 -1.01 0.06 0.00 -2.93 0.00 0.00 61.98 58.10 1sxl s VAL 57 Cb 0.00 -1.53 0.04 0.00 -1.53 0.00 0.00 36.38 33.36 1sxl s VAL 57 CO 0.00 -0.17 0.42 0.00 -3.33 0.00 0.00 175.10 172.01 1sxl s ALA 58 N 1.56 4.43 -0.19 1.54 0.00 -0.71 -1.30 121.76 127.09 1sxl s ALA 58 Ca -0.03 -1.32 -0.03 0.00 0.00 0.00 0.00 51.96 50.57 1sxl s ALA 58 Cb -0.18 -0.77 0.06 0.00 0.00 0.00 0.00 23.12 22.23 1sxl s ALA 58 CO -0.08 -0.46 0.04 -0.06 0.00 0.00 0.00 175.76 175.21 1sxl s PHE 59 N -2.76 0.86 0.60 0.00 0.40 -0.38 -1.36 117.98 115.34 1sxl s PHE 59 Ca 0.36 -0.73 -0.13 0.00 -0.60 0.00 0.00 56.93 55.82 1sxl s PHE 59 Cb -0.02 -0.96 -0.04 0.00 0.51 0.00 0.00 43.02 42.51 1sxl s PHE 59 CO 0.22 -0.58 1.03 0.08 0.70 0.00 0.00 175.22 176.67 1sxl s VAL 60 N 1.91 4.36 -0.44 -0.44 1.01 0.10 -2.23 120.40 124.67 1sxl s VAL 60 Ca -0.00 0.93 -0.18 0.00 0.00 0.00 0.00 61.98 62.73 1sxl s VAL 60 Cb -0.17 -3.64 0.03 0.00 0.00 0.00 0.00 36.38 32.60 1sxl s VAL 60 CO -0.08 -0.84 0.50 0.00 0.00 0.00 0.00 175.10 174.68 1sxl s ARG 61 N -4.62 3.12 -0.47 2.72 1.70 -1.26 -1.48 118.95 118.65 1sxl s ARG 61 Ca 0.58 -0.77 0.05 0.00 -0.47 0.00 0.00 55.73 55.13 1sxl s ARG 61 Cb -0.12 -4.00 0.24 0.00 -0.57 0.00 0.00 34.95 30.50 1sxl s ARG 61 CO 0.44 -0.96 0.92 0.98 -1.08 0.00 0.00 175.30 175.61 1sxl n TYR 62 N 5.78 -3.03 0.00 5.89 9.36 -1.25 -2.39 117.16 131.51 1sxl n TYR 62 Ca -0.07 -1.58 0.00 0.00 3.32 0.00 0.00 57.90 59.58 1sxl n TYR 62 Cb 0.47 1.50 0.00 0.00 -0.63 0.00 0.00 39.34 40.68 1sxl n TYR 62 CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 1sxl n ASN 63 N 1.76 0.00 -0.22 2.98 0.23 -0.80 -3.23 115.26 115.97 1sxl n ASN 63 Ca 0.09 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.14 1sxl n ASN 63 Cb 0.63 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.33 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 -0.19 -3.83 5.02 -1.16 -2.90 118.16 115.10 1sxl n LYS 64 Ca 0.00 0.00 0.17 0.00 -2.02 0.00 0.00 58.31 56.46 1sxl n LYS 64 Cb 0.00 0.00 0.30 0.00 -0.02 0.00 0.00 35.03 35.31 1sxl n LYS 64 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 1sxl n ARG 65 N 0.23 -0.02 0.35 1.97 0.00 -0.52 0.19 116.66 118.85 1sxl n ARG 65 Ca 0.00 0.62 -0.16 0.00 -0.00 0.00 0.00 57.85 58.31 1sxl n ARG 65 Cb 0.00 -1.17 -0.08 0.00 -0.00 0.00 0.00 32.46 31.21 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 -0.87 -0.48 2.89 4.81 -1.86 -2.20 114.58 116.88 1sxl h GLU 66 Ca 0.41 0.06 0.08 0.00 -0.13 0.00 0.00 59.36 59.78 1sxl h GLU 66 Cb 1.22 0.20 -0.07 0.00 0.63 0.00 0.00 28.75 30.73 1sxl h GLU 66 CO -0.28 -0.54 0.09 0.93 -0.73 0.00 0.00 179.01 178.47 1sxl h GLU 67 N -1.10 0.22 -1.01 1.92 5.08 0.19 0.10 114.58 119.97 1sxl h GLU 67 Ca -0.09 -0.01 0.24 0.00 -1.00 0.00 0.00 59.36 58.49 1sxl h GLU 67 Cb 0.73 -0.05 -0.11 0.00 0.50 0.00 0.00 28.75 29.81 1sxl h GLU 67 CO 0.15 0.14 0.61 0.00 -1.00 0.00 0.00 179.01 178.92 1sxl h ALA 68 N 1.38 1.86 -0.81 3.43 0.00 -1.12 0.73 119.26 124.74 1sxl h ALA 68 Ca 0.24 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.25 1sxl h ALA 68 Cb 0.32 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 1sxl h ALA 68 CO -0.32 -0.30 0.48 0.37 0.00 0.00 0.00 179.25 179.48 1sxl h GLN 69 N 0.58 1.10 -0.28 0.00 4.15 -0.15 -1.09 115.11 119.42 1sxl h GLN 69 Ca 0.62 -0.10 0.05 0.00 0.77 0.00 0.00 58.65 59.98 1sxl h GLN 69 Cb 1.21 -0.23 -0.04 0.00 0.21 0.00 0.00 27.48 28.62 1sxl h GLN 69 CO -0.41 0.78 0.00 0.93 -1.93 0.00 0.00 178.83 178.20 1sxl h GLU 70 N 1.11 0.08 0.00 1.69 3.07 0.83 0.11 114.58 121.46 1sxl h GLU 70 Ca 0.29 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.14 1sxl h GLU 70 Cb -0.04 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 27.86 1sxl h GLU 70 CO -0.05 0.05 0.00 0.00 -1.40 0.00 0.00 179.01 177.61 1sxl n ALA 71 N -2.42 1.74 0.05 3.43 0.00 -0.88 -0.27 120.51 122.16 1sxl n ALA 71 Ca -0.00 0.05 -0.03 0.00 0.00 0.00 0.00 53.44 53.45 1sxl n ALA 71 Cb 0.14 -1.37 -0.01 0.00 0.00 0.00 0.00 19.45 18.21 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 0.47 0.31 117.51 119.37 1sxl h ILE 72 Ca 0.00 -0.39 0.00 0.00 -0.39 0.00 0.00 64.86 64.08 1sxl h ILE 72 Cb 0.38 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.13 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 -3.58 0.00 -0.01 1.72 2.88 -0.76 -2.12 113.62 111.75 1sxl n SER 73 Ca -0.02 -0.51 -0.04 0.00 -1.33 0.00 0.00 58.87 56.97 1sxl n SER 73 Cb 0.07 -0.16 -0.01 0.00 -0.75 0.00 0.00 64.21 63.36 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 -1.16 2.76 0.13 -1.46 0.00 0.62 -4.73 120.51 116.67 1sxl n ALA 74 Ca 0.18 -0.14 0.01 0.00 0.00 0.00 0.00 53.44 53.48 1sxl n ALA 74 Cb 0.18 0.43 0.02 0.00 0.00 0.00 0.00 19.45 20.08 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 -0.13 0.00 -8.26 0.00 4.07 -0.55 -3.44 115.31 107.00 1sxl h LEU 75 Ca -0.09 0.00 -0.54 0.00 0.08 0.00 0.00 57.88 57.34 1sxl h LEU 75 Cb 1.01 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 42.70 1sxl h LEU 75 CO -0.05 0.60 1.64 -3.20 -1.08 0.00 0.00 178.44 176.35 1sxl n ASN 76 N -3.28 1.19 -1.93 -0.43 5.15 0.34 -2.73 115.26 113.57 1sxl n ASN 76 Ca 0.01 0.06 -0.00 0.00 -0.60 0.00 0.00 54.58 54.05 1sxl n ASN 76 Cb 0.76 -1.16 -0.00 0.00 -0.53 0.00 0.00 39.78 38.85 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 11.70 -3.53 -2.65 1.20 3.02 -1.06 -4.83 115.26 119.11 1sxl n ASN 77 Ca 0.53 0.51 -0.27 0.00 -0.03 0.00 0.00 54.58 55.33 1sxl n ASN 77 Cb 0.20 -2.56 -0.08 0.00 -0.61 0.00 0.00 39.78 36.73 1sxl n ASN 77 CO 0.00 0.00 0.00 0.55 -2.62 0.00 0.00 177.26 175.19 1sxl n VAL 78 N 0.34 3.73 -4.35 2.41 3.14 -1.11 -4.82 118.33 117.68 1sxl n VAL 78 Ca -0.04 -2.75 -0.18 0.00 -2.96 0.00 0.00 64.34 58.42 1sxl n VAL 78 Cb 0.06 -1.95 -0.15 0.00 -1.06 0.00 0.00 33.84 30.74 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 -0.46 0.69 0.00 1.55 -5.25 -1.26 -4.97 121.20 111.49 1sxl s ILE 79 Ca 0.62 -0.38 0.00 0.00 -0.99 0.00 0.00 60.65 59.90 1sxl s ILE 79 Cb 0.30 -0.58 0.00 0.00 2.95 0.00 0.00 42.46 45.13 1sxl s ILE 79 CO -0.11 0.19 0.70 -0.81 -1.79 0.00 0.00 174.94 173.12 1sxl n PRO 80 N 2.85 0.00 0.00 0.37 -0.04 -1.26 -4.91 135.00 132.02 1sxl n PRO 80 Ca -0.13 0.68 0.00 0.00 -0.04 0.00 0.00 63.50 64.00 1sxl n PRO 80 Cb 0.57 -1.20 0.00 0.00 -0.04 0.00 0.00 33.50 32.83 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 -1.76 0.00 0.00 0.54 4.07 -1.26 -5.02 120.64 117.21 1sxl n GLU 81 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 1sxl n GLU 81 Cb 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.38 1sxl n GLU 81 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1sxl n GLY 82 N -0.17 1.05 0.00 8.31 0.00 -1.26 -5.02 105.19 108.09 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 -0.45 0.78 3.96 -0.02 0.00 -1.26 -5.04 105.19 103.16 1sxl n GLY 83 Ca 0.00 -2.05 0.00 0.00 0.00 0.00 0.00 46.02 43.97 1sxl n GLY 83 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1sxl n SER 84 N 0.34 0.00 -1.29 1.61 7.64 -1.26 -4.89 113.62 115.77 1sxl n SER 84 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1sxl n SER 84 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1sxl n SER 84 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1sxl n GLN 85 N 0.00 -0.25 -3.21 1.43 10.64 -1.26 -4.89 117.38 119.84 1sxl n GLN 85 Ca 0.00 0.34 -0.25 0.00 -1.83 0.00 0.00 57.00 55.26 1sxl n GLN 85 Cb 0.00 -0.32 -0.06 0.00 -0.86 0.00 0.00 30.24 29.00 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 1.11 2.11 0.00 2.61 -0.04 -1.26 -4.77 135.00 134.76 1sxl n PRO 86 Ca 0.00 -4.23 0.00 0.00 -0.04 0.00 0.00 63.50 59.23 1sxl n PRO 86 Cb 0.10 -1.95 0.00 0.00 -0.04 0.00 0.00 33.50 31.61 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 0.60 0.00 -4.58 1.53 4.32 -1.25 -4.42 117.00 113.19 1sxl n LEU 87 Ca 0.28 0.00 -0.43 0.00 -0.02 0.00 0.00 56.01 55.84 1sxl n LEU 87 Cb 0.47 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 42.24 1sxl n LEU 87 CO 0.31 0.00 1.00 -0.55 -1.22 0.00 0.00 177.39 176.94 1sxl s SER 88 N 0.00 6.49 0.32 -1.43 0.15 0.31 -2.57 113.70 116.96 1sxl s SER 88 Ca 0.00 0.14 -0.19 0.00 0.70 0.00 0.00 55.95 56.61 1sxl s SER 88 Cb 0.00 -2.53 -0.09 0.00 -1.71 0.00 0.00 66.02 61.69 1sxl s SER 88 CO 0.00 -1.36 0.81 0.68 1.20 0.00 0.00 173.24 174.57 1sxl s VAL 89 N 4.62 4.53 0.00 4.45 -7.23 -1.26 -2.49 120.40 123.01 1sxl s VAL 89 Ca 0.42 1.27 0.00 0.00 -1.81 0.00 0.00 61.98 61.86 1sxl s VAL 89 Cb -0.08 -3.73 0.00 0.00 0.56 0.00 0.00 36.38 33.13 1sxl s VAL 89 CO 0.26 -0.07 0.00 -2.11 -0.31 0.00 0.00 175.10 172.88 1sxl n ARG 90 N -0.01 0.00 -1.70 4.82 1.85 -1.26 -4.87 116.66 115.49 1sxl n ARG 90 Ca 0.03 0.00 -0.37 0.00 -1.00 0.00 0.00 57.85 56.50 1sxl n ARG 90 Cb 0.52 0.00 0.06 0.00 -1.05 0.00 0.00 32.46 32.00 1sxl n ARG 90 CO 0.00 0.00 0.00 -0.11 -0.01 0.00 0.00 177.63 177.51 1sxl n LEU 91 N 0.00 5.38 0.06 2.89 0.00 -1.26 -2.34 117.00 121.72 1sxl n LEU 91 Ca 0.00 0.84 0.00 0.00 0.00 0.00 0.00 56.01 56.85 1sxl n LEU 91 Cb 0.00 -1.52 0.00 0.00 0.00 0.00 0.00 43.42 41.90 1sxl n LEU 91 CO 0.00 -1.17 -0.05 0.00 0.00 0.00 0.00 177.39 176.17 1sxl n ALA 92 N -1.76 3.00 -2.37 1.96 0.00 -1.26 -4.83 120.51 115.24 1sxl n ALA 92 Ca 0.15 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.37 1sxl n ALA 92 Cb 0.47 0.23 -0.08 0.00 0.00 0.00 0.00 19.45 20.07 1sxl n ALA 92 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1sxl s GLU 93 N -2.00 1.79 -0.74 0.00 2.56 -1.26 -5.10 118.70 113.95 1sxl s GLU 93 Ca 0.00 -2.06 0.04 0.00 0.00 0.00 0.00 54.97 52.95 1sxl s GLU 93 Cb 0.00 -0.05 0.18 0.00 2.00 0.00 0.00 34.13 36.26 1sxl s GLU 93 CO 0.00 -0.56 0.55 -2.00 -0.56 0.00 0.00 175.26 172.68 1sxl s GLU 94 N -3.60 2.62 -0.28 4.30 2.12 -1.26 -4.55 118.70 118.04 1sxl s GLU 94 Ca 0.34 -3.33 -0.18 0.00 0.36 0.00 0.00 54.97 52.15 1sxl s GLU 94 Cb 0.03 -3.53 0.10 0.00 0.26 0.00 0.00 34.13 31.00 1sxl s GLU 94 CO 0.21 -1.28 0.82 -1.58 -0.54 0.00 0.00 175.26 172.90 1sxl s HIS 95 N -1.43 -0.81 0.00 5.30 2.46 -1.26 -5.07 115.29 114.48 1sxl s HIS 95 Ca 0.25 1.68 0.00 0.00 0.47 0.00 0.00 55.06 57.46 1sxl s HIS 95 Cb -0.05 0.47 0.00 0.00 -0.13 0.00 0.00 32.58 32.87 1sxl s HIS 95 CO -0.16 -0.40 0.00 0.41 -2.47 0.00 0.00 174.74 172.12 1sxl n GLY 96 N 3.70 -2.37 0.08 1.59 0.00 -1.26 -4.99 105.19 101.94 1sxl n GLY 96 Ca -0.18 -1.60 0.01 0.00 0.00 0.00 0.00 46.02 44.26 1sxl n GLY 96 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60