#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 -6.55 -3.50 6.12 2.88 -1.26 -5.01 113.62 106.29 1sxl n SER 2 Ca 0.00 -0.70 -0.11 0.00 -1.33 0.00 0.00 58.87 56.74 1sxl n SER 2 Cb 0.00 -4.90 -0.03 0.00 -0.75 0.00 0.00 64.21 58.53 1sxl n SER 2 CO 0.00 0.00 0.00 -0.72 -1.23 0.00 0.00 175.04 173.09 1sxl s TYR 3 N -3.36 -0.43 0.00 0.66 -0.85 -1.26 -5.13 117.35 106.98 1sxl s TYR 3 Ca 0.41 0.42 0.00 0.00 -0.52 0.00 0.00 57.07 57.38 1sxl s TYR 3 Cb -0.07 0.51 0.00 0.00 0.38 0.00 0.00 41.96 42.78 1sxl s TYR 3 CO 0.76 -0.58 0.00 0.00 -1.52 0.00 0.00 175.55 174.21 1sxl n ALA 4 N 0.04 1.15 -3.23 9.51 0.00 -1.26 -5.11 120.51 121.61 1sxl n ALA 4 Ca -0.12 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.30 1sxl n ALA 4 Cb 0.61 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.03 1sxl n ALA 4 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 1sxl s ARG 5 N 0.00 0.49 0.00 0.00 1.70 -1.26 -4.89 118.95 114.98 1sxl s ARG 5 Ca 0.00 0.40 0.00 0.00 -0.47 0.00 0.00 55.73 55.66 1sxl s ARG 5 Cb 0.00 -0.00 0.00 0.00 -0.57 0.00 0.00 34.95 34.38 1sxl s ARG 5 CO 0.00 -1.00 0.00 -0.35 -1.08 0.00 0.00 175.30 172.87 1sxl n PRO 6 N 5.39 1.42 0.00 3.89 -0.04 -1.26 -4.95 135.00 139.44 1sxl n PRO 6 Ca 0.02 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.48 1sxl n PRO 6 Cb 0.52 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.98 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 5.00 1.94 0.00 0.55 0.00 -1.26 -4.34 105.19 107.08 1sxl n GLY 7 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.99 3.64 -0.02 0.00 -1.26 -4.40 105.19 102.16 1sxl n GLY 8 Ca 0.00 0.70 -0.08 0.00 0.00 0.00 0.00 46.02 46.65 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 0.00 0.53 0.12 1.61 8.01 -1.26 -4.98 118.70 122.72 1sxl s GLU 9 Ca 0.00 0.72 0.00 0.00 0.01 0.00 0.00 54.97 55.70 1sxl s GLU 9 Cb 0.00 0.21 0.00 0.00 -4.31 0.00 0.00 34.13 30.03 1sxl s GLU 9 CO 0.00 -0.08 0.00 0.43 0.01 0.00 0.00 175.26 175.62 1sxl n SER 10 N 2.85 -2.28 -4.56 -0.19 7.64 -1.26 -4.49 113.62 111.32 1sxl n SER 10 Ca -0.15 0.25 -0.15 0.00 1.01 0.00 0.00 58.87 59.83 1sxl n SER 10 Cb 0.56 -1.21 -0.08 0.00 -1.01 0.00 0.00 64.21 62.47 1sxl n SER 10 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1sxl s ILE 11 N -2.11 3.06 0.00 0.44 -1.09 -1.26 -3.15 121.20 117.09 1sxl s ILE 11 Ca 0.00 -0.06 0.00 0.00 -2.23 0.00 0.00 60.65 58.36 1sxl s ILE 11 Cb 0.00 -3.33 0.00 0.00 -1.58 0.00 0.00 42.46 37.55 1sxl s ILE 11 CO 0.00 -0.12 0.00 2.29 -1.23 0.00 0.00 174.94 175.88 1sxl n LYS 12 N 8.68 0.00 0.00 2.79 2.85 -1.26 -4.58 118.16 126.64 1sxl n LYS 12 Ca 0.45 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.71 1sxl n LYS 12 Cb 0.44 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.82 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 0.00 -3.53 -5.58 8.00 -0.33 -3.81 116.55 111.31 1sxl n ASP 13 Ca 0.00 0.00 -0.40 0.00 0.71 0.00 0.00 54.79 55.10 1sxl n ASP 13 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.09 1sxl n ASP 13 CO 0.00 0.00 0.00 1.07 -0.39 0.00 0.00 177.20 177.88 1sxl n THR 14 N 0.00 4.13 -1.67 -3.53 5.66 -0.97 -4.41 114.28 113.49 1sxl n THR 14 Ca 0.00 -3.10 -0.31 0.00 -3.05 0.00 0.00 64.05 57.59 1sxl n THR 14 Cb 0.00 -2.53 0.04 0.00 -1.55 0.00 0.00 70.33 66.29 1sxl n THR 14 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 1sxl s ASN 15 N 2.20 5.57 -0.04 1.09 4.22 -0.15 -4.10 114.94 123.73 1sxl s ASN 15 Ca 0.57 1.51 -0.00 0.00 -2.14 0.00 0.00 52.86 52.80 1sxl s ASN 15 Cb 0.16 -2.42 0.03 0.00 1.28 0.00 0.00 41.25 40.30 1sxl s ASN 15 CO -0.07 -1.31 0.01 -1.48 -2.04 0.00 0.00 177.10 172.21 1sxl s LEU 16 N -5.45 0.85 -0.36 3.54 2.34 -1.10 -4.15 118.68 114.36 1sxl s LEU 16 Ca 0.57 -0.02 -0.25 0.00 0.06 0.00 0.00 54.13 54.49 1sxl s LEU 16 Cb -0.13 -0.26 0.01 0.00 -0.56 0.00 0.00 46.19 45.25 1sxl s LEU 16 CO 0.54 -0.15 0.88 -0.47 -1.06 0.00 0.00 176.35 176.09 1sxl s TYR 17 N 1.44 3.11 0.07 3.48 6.14 -0.94 -1.10 117.35 129.55 1sxl s TYR 17 Ca -0.04 0.74 -0.20 0.00 0.64 0.00 0.00 57.07 58.21 1sxl s TYR 17 Cb -0.13 -3.52 -0.07 0.00 0.42 0.00 0.00 41.96 38.66 1sxl s TYR 17 CO -0.03 -0.76 0.59 0.14 0.64 0.00 0.00 175.55 176.13 1sxl s VAL 18 N 3.31 4.74 0.51 3.14 -7.23 -0.77 -4.26 120.40 119.84 1sxl s VAL 18 Ca 0.36 1.25 0.01 0.00 -1.81 0.00 0.00 61.98 61.79 1sxl s VAL 18 Cb -0.13 -3.92 0.01 0.00 0.56 0.00 0.00 36.38 32.91 1sxl s VAL 18 CO 0.17 0.54 0.12 0.41 -0.31 0.00 0.00 175.10 176.03 1sxl n THR 19 N 1.85 0.00 -2.83 5.32 -1.04 -1.06 -1.43 114.28 115.09 1sxl n THR 19 Ca -0.10 -2.30 -0.04 0.00 -2.04 0.00 0.00 64.05 59.57 1sxl n THR 19 Cb 0.51 0.32 0.00 0.00 -1.82 0.00 0.00 70.33 69.34 1sxl n THR 19 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 1sxl n ASN 20 N -1.46 -7.81 -3.64 8.00 2.85 -1.25 -1.62 115.26 110.33 1sxl n ASN 20 Ca -0.15 1.02 -0.07 0.00 -0.11 0.00 0.00 54.58 55.26 1sxl n ASN 20 Cb 0.63 -4.92 -0.07 0.00 1.24 0.00 0.00 39.78 36.66 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 -1.92 -0.75 -0.72 1.20 1.43 -0.49 -3.93 118.68 113.49 1sxl s LEU 21 Ca 0.09 1.26 0.01 0.00 -1.03 0.00 0.00 54.13 54.47 1sxl s LEU 21 Cb -0.02 2.19 0.37 0.00 0.03 0.00 0.00 46.19 48.75 1sxl s LEU 21 CO 0.73 -0.20 1.58 -0.81 0.23 0.00 0.00 176.35 177.87 1sxl n PRO 22 N 3.67 3.46 -4.18 1.29 -0.04 -1.26 -3.37 135.00 134.57 1sxl n PRO 22 Ca -0.18 -4.18 -0.35 0.00 -0.04 0.00 0.00 63.50 58.76 1sxl n PRO 22 Cb 0.58 -2.29 -0.05 0.00 -0.04 0.00 0.00 33.50 31.69 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 -0.41 -1.09 0.02 0.54 1.74 -1.26 -4.82 116.66 111.37 1sxl n ARG 23 Ca 0.45 0.14 0.08 0.00 -0.77 0.00 0.00 57.85 57.76 1sxl n ARG 23 Cb 0.39 -3.45 -0.11 0.00 -1.02 0.00 0.00 32.46 28.27 1sxl n ARG 23 CO 0.00 0.00 0.00 -2.37 -1.52 0.00 0.00 177.63 173.74 1sxl n THR 24 N -4.68 0.43 -4.45 0.55 5.66 -1.26 -4.95 114.28 105.59 1sxl n THR 24 Ca -0.26 -0.57 -0.23 0.00 -3.05 0.00 0.00 64.05 59.95 1sxl n THR 24 Cb 0.66 -0.22 -0.10 0.00 -1.55 0.00 0.00 70.33 69.12 1sxl n THR 24 CO 0.00 0.00 0.00 0.27 -3.05 0.00 0.00 175.07 172.29 1sxl s ILE 25 N -3.32 2.23 0.25 1.09 -5.25 -1.26 -5.14 121.20 109.80 1sxl s ILE 25 Ca -0.05 -2.32 0.01 0.00 -0.99 0.00 0.00 60.65 57.29 1sxl s ILE 25 Cb 0.11 -2.30 -0.04 0.00 2.95 0.00 0.00 42.46 43.19 1sxl s ILE 25 CO 0.86 -0.41 0.43 0.42 -1.79 0.00 0.00 174.94 174.45 1sxl s THR 26 N -2.66 5.18 0.08 8.37 -4.23 -1.26 -4.98 115.64 116.14 1sxl s THR 26 Ca 0.29 -0.50 -0.28 0.00 -1.18 0.00 0.00 61.69 60.01 1sxl s THR 26 Cb -0.03 -3.79 -0.17 0.00 1.34 0.00 0.00 72.50 69.85 1sxl s THR 26 CO 0.13 -0.31 1.68 -0.78 -0.54 0.00 0.00 174.62 174.79 1sxl h ASP 27 N 1.49 -0.43 0.14 3.99 1.82 -1.93 -0.40 116.42 121.10 1sxl h ASP 27 Ca -0.49 0.02 0.00 0.00 -0.39 0.00 0.00 57.03 56.16 1sxl h ASP 27 Cb 1.21 0.11 0.00 0.00 0.68 0.00 0.00 39.33 41.33 1sxl h ASP 27 CO 0.65 -0.30 0.00 0.47 -1.61 0.00 0.00 179.24 178.44 1sxl n ASP 28 N -5.31 0.00 -0.03 2.28 9.92 -1.26 -3.54 116.55 118.61 1sxl n ASP 28 Ca -0.11 -0.18 -0.01 0.00 -0.53 0.00 0.00 54.79 53.97 1sxl n ASP 28 Cb 0.22 -0.15 -0.00 0.00 -0.64 0.00 0.00 41.12 40.55 1sxl n ASP 28 CO 0.00 0.00 0.00 1.56 0.13 0.00 0.00 177.20 178.89 1sxl h GLN 29 N 0.00 0.00 -1.16 -1.24 4.20 -1.46 -3.31 115.11 112.15 1sxl h GLN 29 Ca 0.00 0.00 0.37 0.00 0.06 0.00 0.00 58.65 59.08 1sxl h GLN 29 Cb 0.07 0.00 -0.13 0.00 0.30 0.00 0.00 27.48 27.72 1sxl h GLN 29 CO 0.00 0.00 0.72 -0.07 -0.67 0.00 0.00 178.83 178.81 1sxl h LEU 30 N -0.61 0.36 -0.23 1.46 4.07 -1.55 0.40 115.31 119.22 1sxl h LEU 30 Ca 0.00 0.14 0.06 0.00 0.08 0.00 0.00 57.88 58.16 1sxl h LEU 30 Cb 0.09 0.11 -0.07 0.00 1.08 0.00 0.00 40.66 41.87 1sxl h LEU 30 CO 0.00 -0.12 -0.37 -0.78 -1.08 0.00 0.00 178.44 176.09 1sxl h ASP 31 N 0.21 -1.18 0.48 -0.43 1.82 -1.68 0.49 116.42 116.14 1sxl h ASP 31 Ca 0.75 0.17 -0.01 0.00 -0.39 0.00 0.00 57.03 57.55 1sxl h ASP 31 Cb 2.08 0.51 -0.00 0.00 0.68 0.00 0.00 39.33 42.60 1sxl h ASP 31 CO -0.45 -0.37 -0.04 0.74 -1.61 0.00 0.00 179.24 177.51 1sxl h THR 32 N -0.39 0.17 0.00 2.25 2.02 -0.32 0.39 112.91 117.03 1sxl h THR 32 Ca 0.11 -0.35 0.00 0.00 0.77 0.00 0.00 66.41 66.94 1sxl h THR 32 Cb 0.58 1.29 0.00 0.00 -1.74 0.00 0.00 68.15 68.28 1sxl h THR 32 CO -0.44 0.04 -0.23 -0.29 0.37 0.00 0.00 175.52 174.97 1sxl h ILE 33 N 0.00 0.00 -0.05 3.11 2.10 0.68 -3.38 117.51 119.96 1sxl h ILE 33 Ca -0.00 -0.51 -0.16 0.00 1.08 0.00 0.00 64.86 65.26 1sxl h ILE 33 Cb 0.29 1.36 -0.22 0.00 -1.09 0.00 0.00 36.82 37.16 1sxl h ILE 33 CO 0.00 0.00 -0.54 2.22 -1.08 0.00 0.00 178.15 178.75 1sxl n PHE 34 N -2.25 -0.38 -2.54 2.19 -1.74 0.13 -4.98 117.46 107.89 1sxl n PHE 34 Ca 0.05 -1.02 -0.41 0.00 -0.56 0.00 0.00 57.45 55.50 1sxl n PHE 34 Cb 0.44 0.55 0.01 0.00 1.52 0.00 0.00 39.48 42.00 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 -0.38 5.79 0.00 4.97 0.00 0.13 -4.34 105.19 111.36 1sxl n GLY 35 Ca -0.14 -2.46 0.00 0.00 0.00 0.00 0.00 46.02 43.42 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 0.62 0.79 -0.09 1.61 3.00 -1.26 -4.89 118.16 117.93 1sxl n LYS 36 Ca 0.48 0.00 -0.18 0.00 -0.00 0.00 0.00 58.31 58.60 1sxl n LYS 36 Cb 0.27 -0.06 -0.12 0.00 0.00 0.00 0.00 35.03 35.12 1sxl n LYS 36 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.40 179.28 1sxl h TYR 37 N 0.00 0.00 -1.02 5.64 0.05 -2.00 -3.50 116.97 116.15 1sxl h TYR 37 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1sxl h TYR 37 Cb 0.00 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.74 1sxl h TYR 37 CO 0.00 1.27 0.00 0.41 -1.05 0.00 0.00 178.16 178.79 1sxl n GLY 38 N 1.51 4.46 3.06 3.88 0.00 -1.26 -5.05 105.19 111.79 1sxl n GLY 38 Ca -0.23 -1.21 -0.43 0.00 0.00 0.00 0.00 46.02 44.15 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 -0.05 5.72 -1.27 1.61 7.64 -1.26 -4.96 113.62 121.06 1sxl n SER 39 Ca 0.00 -3.21 -0.16 0.00 1.01 0.00 0.00 58.87 56.51 1sxl n SER 39 Cb 0.00 -1.39 -0.02 0.00 -1.01 0.00 0.00 64.21 61.79 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 2.56 0.06 -2.28 0.44 2.08 -1.26 -4.80 119.36 116.15 1sxl n ILE 40 Ca 0.31 -0.02 -0.40 0.00 0.56 0.00 0.00 62.75 63.21 1sxl n ILE 40 Cb 0.36 0.00 0.02 0.00 -0.75 0.00 0.00 39.64 39.27 1sxl n ILE 40 CO 0.00 0.00 0.00 1.33 0.56 0.00 0.00 176.55 178.44 1sxl n VAL 41 N 0.38 5.05 -0.42 1.39 0.24 -1.23 -4.91 118.33 118.82 1sxl n VAL 41 Ca 0.06 -5.12 0.00 0.00 -2.04 0.00 0.00 64.34 57.23 1sxl n VAL 41 Cb 0.03 -1.49 0.00 0.00 -1.47 0.00 0.00 33.84 30.91 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 -0.04 0.00 -2.12 7.34 7.27 -1.26 -4.60 117.38 123.97 1sxl n GLN 42 Ca 0.51 0.14 -0.28 0.00 0.07 0.00 0.00 57.00 57.44 1sxl n GLN 42 Cb 0.26 -0.27 0.05 0.00 2.41 0.00 0.00 30.24 32.69 1sxl n GLN 42 CO 0.00 0.00 0.00 0.15 0.07 0.00 0.00 177.06 177.28 1sxl s LYS 43 N -0.38 2.72 0.12 3.69 1.02 -1.26 -3.48 119.74 122.17 1sxl s LYS 43 Ca 0.00 0.16 -0.23 0.00 0.02 0.00 0.00 55.97 55.92 1sxl s LYS 43 Cb 0.00 -2.13 0.06 0.00 -0.52 0.00 0.00 37.83 35.25 1sxl s LYS 43 CO 0.00 -0.99 0.58 1.21 -0.92 0.00 0.00 175.35 175.24 1sxl s ASN 44 N -4.38 -0.53 -0.28 2.83 3.84 0.00 -4.94 114.94 111.48 1sxl s ASN 44 Ca 0.57 0.08 -0.07 0.00 0.21 0.00 0.00 52.86 53.65 1sxl s ASN 44 Cb -0.11 0.57 0.14 0.00 -0.55 0.00 0.00 41.25 41.30 1sxl s ASN 44 CO 0.48 -0.88 0.59 -0.51 -2.79 0.00 0.00 177.10 173.99 1sxl s ILE 45 N -3.27 -0.93 0.08 -5.21 1.10 -1.26 -1.54 121.20 110.16 1sxl s ILE 45 Ca -0.01 0.02 -0.08 0.00 -0.51 0.00 0.00 60.65 60.07 1sxl s ILE 45 Cb -0.01 -0.94 -0.00 0.00 0.15 0.00 0.00 42.46 41.66 1sxl s ILE 45 CO -0.09 0.00 0.17 -1.48 -2.11 0.00 0.00 174.94 171.44 1sxl s LEU 46 N 2.83 1.52 0.00 8.50 0.05 -0.89 -4.97 118.68 125.71 1sxl s LEU 46 Ca 0.01 -0.63 0.00 0.00 0.05 0.00 0.00 54.13 53.56 1sxl s LEU 46 Cb -0.13 0.94 0.00 0.00 -2.05 0.00 0.00 46.19 44.95 1sxl s LEU 46 CO -0.18 -0.68 0.00 -1.14 -0.55 0.00 0.00 176.35 173.79 1sxl n ARG 47 N 0.10 0.00 -1.32 1.48 0.63 -1.26 -2.11 116.66 114.18 1sxl n ARG 47 Ca -0.16 0.00 -0.04 0.00 -0.92 0.00 0.00 57.85 56.74 1sxl n ARG 47 Cb 0.62 0.00 0.01 0.00 0.45 0.00 0.00 32.46 33.54 1sxl n ARG 47 CO 0.00 0.00 0.00 -0.40 -2.51 0.00 0.00 177.63 174.72 1sxl n ASP 48 N -0.82 0.36 0.00 6.15 5.68 -1.26 -4.16 116.55 122.50 1sxl n ASP 48 Ca 0.00 -1.27 0.00 0.00 -0.50 0.00 0.00 54.79 53.02 1sxl n ASP 48 Cb 0.00 -0.08 0.00 0.00 -1.14 0.00 0.00 41.12 39.90 1sxl n ASP 48 CO 0.00 0.00 0.00 1.17 -1.33 0.00 0.00 177.20 177.04 1sxl n LYS 49 N -1.23 0.00 0.00 0.11 3.00 -1.26 -4.96 118.16 113.81 1sxl n LYS 49 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.34 1sxl n LYS 49 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.14 1sxl n LYS 49 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1sxl n LEU 50 N -1.49 0.00 -0.46 3.14 4.32 -1.26 -5.01 117.00 116.24 1sxl n LEU 50 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 1sxl n LEU 50 Cb 0.00 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 1sxl n LEU 50 CO 0.00 -0.23 0.24 0.35 -1.22 0.00 0.00 177.39 176.54 1sxl n THR 51 N -1.68 0.00 0.02 -5.08 -2.24 -1.26 -4.89 114.28 99.15 1sxl n THR 51 Ca 0.00 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.62 1sxl n THR 51 Cb 0.00 0.28 -0.14 0.00 -2.10 0.00 0.00 70.33 68.37 1sxl n THR 51 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1sxl h GLY 52 N 0.00 0.21 -6.96 3.38 0.00 -1.96 -3.48 103.07 94.27 1sxl h GLY 52 Ca 0.00 -0.53 -0.55 0.00 0.00 0.00 0.00 47.33 46.25 1sxl h GLY 52 CO 0.00 0.46 -0.89 -0.96 0.00 0.00 0.00 176.54 175.15 1sxl n ARG 53 N -3.34 -0.58 0.00 4.80 1.85 -1.26 -4.88 116.66 113.25 1sxl n ARG 53 Ca -0.21 0.03 0.00 0.00 -1.00 0.00 0.00 57.85 56.67 1sxl n ARG 53 Cb 1.05 -2.59 0.00 0.00 -1.05 0.00 0.00 32.46 29.87 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 -4.46 -1.80 0.00 2.89 -0.04 -1.26 -4.85 135.00 125.48 1sxl n PRO 54 Ca -0.19 0.00 0.14 0.00 -0.04 0.00 0.00 63.50 63.42 1sxl n PRO 54 Cb 0.56 0.00 0.67 0.00 -0.04 0.00 0.00 33.50 34.69 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 -1.89 0.50 0.00 0.54 1.74 -1.26 -4.86 116.66 111.42 1sxl n ARG 55 Ca 0.00 -0.10 0.00 0.00 -0.77 0.00 0.00 57.85 56.98 1sxl n ARG 55 Cb 0.00 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 29.94 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 1.30 1.54 3.41 -0.13 0.00 -1.22 -4.20 105.19 105.90 1sxl n GLY 56 Ca 0.14 -1.01 -0.21 0.00 0.00 0.00 0.00 46.02 44.94 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 0.00 1.69 0.16 1.61 -7.23 -0.90 -1.39 120.40 114.34 1sxl s VAL 57 Ca 0.00 -2.15 0.02 0.00 -1.81 0.00 0.00 61.98 58.04 1sxl s VAL 57 Cb 0.00 -2.36 -0.01 0.00 0.56 0.00 0.00 36.38 34.57 1sxl s VAL 57 CO 0.00 -0.37 0.08 0.00 -0.31 0.00 0.00 175.10 174.51 1sxl n ALA 58 N -0.54 0.27 -3.38 1.32 0.00 -0.51 -2.10 120.51 115.56 1sxl n ALA 58 Ca -0.06 -0.87 -0.13 0.00 0.00 0.00 0.00 53.44 52.38 1sxl n ALA 58 Cb 0.63 0.63 -0.09 0.00 0.00 0.00 0.00 19.45 20.61 1sxl n ALA 58 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1sxl s PHE 59 N -2.34 -0.66 0.49 0.00 2.19 -0.59 -1.85 117.98 115.21 1sxl s PHE 59 Ca 0.12 0.29 -0.18 0.00 0.33 0.00 0.00 56.93 57.49 1sxl s PHE 59 Cb 0.01 -0.24 -0.09 0.00 -1.31 0.00 0.00 43.02 41.39 1sxl s PHE 59 CO 0.08 -0.83 0.98 0.08 1.83 0.00 0.00 175.22 177.37 1sxl s VAL 60 N 2.45 4.43 -0.21 3.12 1.01 -0.25 -0.82 120.40 130.12 1sxl s VAL 60 Ca 0.10 1.29 -0.10 0.00 0.00 0.00 0.00 61.98 63.27 1sxl s VAL 60 Cb -0.14 -3.66 -0.05 0.00 0.00 0.00 0.00 36.38 32.53 1sxl s VAL 60 CO -0.24 -0.55 0.13 0.00 0.00 0.00 0.00 175.10 174.45 1sxl s ARG 61 N -3.75 4.14 -0.17 2.72 1.70 -1.23 -2.70 118.95 119.66 1sxl s ARG 61 Ca 0.60 -0.24 -0.28 0.00 -0.47 0.00 0.00 55.73 55.34 1sxl s ARG 61 Cb -0.10 -3.44 0.10 0.00 -0.57 0.00 0.00 34.95 30.93 1sxl s ARG 61 CO 0.25 0.22 0.86 0.71 -1.08 0.00 0.00 175.30 176.26 1sxl s TYR 62 N 0.58 -0.55 0.00 5.89 1.51 -1.26 -3.52 117.35 120.00 1sxl s TYR 62 Ca 0.08 1.13 0.00 0.00 -1.01 0.00 0.00 57.07 57.26 1sxl s TYR 62 Cb -0.12 0.39 0.00 0.00 -0.11 0.00 0.00 41.96 42.12 1sxl s TYR 62 CO 0.00 -0.40 0.00 0.27 -1.11 0.00 0.00 175.55 174.31 1sxl n ASN 63 N 1.46 0.19 -4.57 2.29 0.23 -1.26 -0.97 115.26 112.63 1sxl n ASN 63 Ca -0.14 0.00 -0.41 0.00 -0.53 0.00 0.00 54.58 53.50 1sxl n ASN 63 Cb 0.57 0.00 -0.04 0.00 -2.08 0.00 0.00 39.78 38.23 1sxl n ASN 63 CO 0.00 0.00 0.00 1.17 -0.93 0.00 0.00 177.26 177.50 1sxl n LYS 64 N -2.55 1.50 -0.29 -3.83 4.81 -1.26 -2.29 118.16 114.25 1sxl n LYS 64 Ca 0.00 0.30 -0.03 0.00 -0.87 0.00 0.00 58.31 57.71 1sxl n LYS 64 Cb 0.17 -3.21 0.00 0.00 0.02 0.00 0.00 35.03 32.01 1sxl n LYS 64 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1sxl n ARG 65 N 8.81 -0.21 -0.09 1.64 3.00 -1.26 0.18 116.66 128.73 1sxl n ARG 65 Ca 0.34 1.14 -0.07 0.00 -0.01 0.00 0.00 57.85 59.25 1sxl n ARG 65 Cb 0.46 -1.68 0.00 0.00 0.00 0.00 0.00 32.46 31.24 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 0.23 -0.73 5.56 4.57 -1.90 0.78 114.58 123.10 1sxl h GLU 66 Ca 0.22 -0.01 0.21 0.00 -1.18 0.00 0.00 59.36 58.60 1sxl h GLU 66 Cb 0.41 -0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 28.92 1sxl h GLU 66 CO -0.73 0.15 0.55 1.49 -1.18 0.00 0.00 179.01 179.30 1sxl h GLU 67 N 0.24 0.00 -0.07 1.92 4.81 0.16 0.10 114.58 121.75 1sxl h GLU 67 Ca 0.14 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.35 1sxl h GLU 67 Cb 0.12 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.50 1sxl h GLU 67 CO -0.15 0.00 -0.04 0.00 -0.73 0.00 0.00 179.01 178.09 1sxl h ALA 68 N 1.59 0.09 -1.20 2.92 0.00 0.89 -2.12 119.26 121.44 1sxl h ALA 68 Ca 0.35 -0.25 0.34 0.00 0.00 0.00 0.00 54.91 55.35 1sxl h ALA 68 Cb 1.44 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 19.14 1sxl h ALA 68 CO -0.00 -0.14 0.83 0.37 0.00 0.00 0.00 179.25 180.31 1sxl h GLN 69 N -0.25 0.11 -0.04 0.00 4.15 -0.47 0.52 115.11 119.13 1sxl h GLN 69 Ca 0.01 -0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.42 1sxl h GLN 69 Cb 0.50 -0.03 -0.00 0.00 0.21 0.00 0.00 27.48 28.16 1sxl h GLN 69 CO 0.01 0.08 -0.01 0.93 -1.93 0.00 0.00 178.83 177.91 1sxl h GLU 70 N 0.12 0.07 0.00 1.69 4.39 -1.05 -2.24 114.58 117.56 1sxl h GLU 70 Ca 0.62 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 60.29 1sxl h GLU 70 Cb 2.16 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.81 1sxl h GLU 70 CO -0.12 0.42 0.00 0.00 -1.16 0.00 0.00 179.01 178.14 1sxl n ALA 71 N -2.30 1.39 -0.00 3.43 0.00 0.16 0.04 120.51 123.24 1sxl n ALA 71 Ca -0.07 0.09 -0.00 0.00 0.00 0.00 0.00 53.44 53.46 1sxl n ALA 71 Cb 0.21 -1.30 -0.00 0.00 0.00 0.00 0.00 19.45 18.36 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 -0.59 0.39 117.51 118.38 1sxl h ILE 72 Ca 0.00 -0.09 0.00 0.00 -0.39 0.00 0.00 64.86 64.38 1sxl h ILE 72 Cb 0.19 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 33.94 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 -2.29 0.00 0.01 1.72 7.64 -0.89 -2.07 113.62 117.75 1sxl n SER 73 Ca -0.00 -1.63 0.00 0.00 1.01 0.00 0.00 58.87 58.25 1sxl n SER 73 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 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 -0.57 3.00 0.08 -0.43 0.00 0.11 -4.82 120.51 117.88 1sxl n ALA 74 Ca 0.03 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.37 1sxl n ALA 74 Cb 0.01 0.24 -0.09 0.00 0.00 0.00 0.00 19.45 19.61 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 0.20 -9.39 0.00 4.07 -1.03 -3.44 115.31 105.73 1sxl h LEU 75 Ca 0.00 -0.20 -0.60 0.00 0.08 0.00 0.00 57.88 57.16 1sxl h LEU 75 Cb 0.47 -0.06 0.04 0.00 1.08 0.00 0.00 40.66 42.19 1sxl h LEU 75 CO 0.00 1.11 0.95 -3.20 -1.08 0.00 0.00 178.44 176.22 1sxl n ASN 76 N -3.49 3.26 -2.56 -0.43 2.85 -0.03 -2.98 115.26 111.88 1sxl n ASN 76 Ca -0.04 1.03 -0.01 0.00 -0.11 0.00 0.00 54.58 55.45 1sxl n ASN 76 Cb 0.93 -1.40 0.00 0.00 1.24 0.00 0.00 39.78 40.55 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 5.03 -6.10 -2.22 1.20 4.13 -1.25 -4.86 115.26 111.18 1sxl n ASN 77 Ca 0.20 0.05 -0.20 0.00 1.68 0.00 0.00 54.58 56.31 1sxl n ASN 77 Cb 0.29 -4.05 -0.08 0.00 -1.54 0.00 0.00 39.78 34.41 1sxl n ASN 77 CO 0.00 0.00 0.00 0.55 0.28 0.00 0.00 177.26 178.09 1sxl n VAL 78 N -1.26 3.09 -3.68 2.41 3.14 -1.16 -4.78 118.33 116.09 1sxl n VAL 78 Ca 0.02 -2.26 -0.11 0.00 -2.96 0.00 0.00 64.34 59.03 1sxl n VAL 78 Cb 0.46 -1.68 -0.09 0.00 -1.06 0.00 0.00 33.84 31.47 1sxl n VAL 78 CO 0.00 0.00 0.00 -0.63 -6.46 0.00 0.00 176.83 169.74 1sxl s ILE 79 N -1.17 -0.01 0.22 1.55 1.09 -1.26 -5.07 121.20 116.56 1sxl s ILE 79 Ca 0.55 0.03 -0.30 0.00 -1.10 0.00 0.00 60.65 59.84 1sxl s ILE 79 Cb 0.33 -0.76 -0.15 0.00 -1.06 0.00 0.00 42.46 40.81 1sxl s ILE 79 CO -0.12 0.01 0.92 -0.81 -0.10 0.00 0.00 174.94 174.84 1sxl n PRO 80 N 3.66 0.89 -1.36 2.79 -0.04 -1.26 -4.76 135.00 134.92 1sxl n PRO 80 Ca -0.18 0.31 -0.42 0.00 -0.04 0.00 0.00 63.50 63.17 1sxl n PRO 80 Cb 0.57 -1.62 -0.00 0.00 -0.04 0.00 0.00 33.50 32.40 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 1.09 0.20 0.00 0.54 -0.58 -1.26 -4.20 120.64 116.43 1sxl n GLU 81 Ca 0.14 0.07 0.00 0.00 -0.42 0.00 0.00 57.16 56.95 1sxl n GLU 81 Cb 0.27 -1.18 0.00 0.00 -0.57 0.00 0.00 31.44 29.96 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 2.12 1.42 0.00 0.62 0.00 -1.26 -5.06 105.19 103.03 1sxl n GLY 82 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 0.60 3.12 -0.02 0.00 -1.26 -4.99 105.19 102.64 1sxl n GLY 83 Ca 0.00 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 45.13 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 0.00 -1.52 -1.66 1.61 7.64 -1.26 -4.52 113.62 113.91 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 -1.42 0.00 0.00 -1.01 0.00 0.00 64.21 61.78 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 -1.70 -4.34 -4.13 1.43 6.02 -1.26 -4.81 117.38 108.59 1sxl n GLN 85 Ca 0.00 3.17 -0.28 0.00 -0.01 0.00 0.00 57.00 59.88 1sxl n GLN 85 Cb 0.08 -3.34 -0.07 0.00 1.02 0.00 0.00 30.24 27.93 1sxl n GLN 85 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1sxl s PRO 86 N -1.53 2.64 -0.11 -1.09 0.04 -1.25 -4.83 135.00 128.87 1sxl s PRO 86 Ca 0.00 -0.91 -0.29 0.00 0.04 0.00 0.00 61.00 59.84 1sxl s PRO 86 Cb 0.00 -2.54 -0.04 0.00 0.04 0.00 0.00 34.50 31.96 1sxl s PRO 86 CO 0.00 0.50 1.51 -0.48 0.04 0.00 0.00 177.00 178.57 1sxl s LEU 87 N -2.74 4.24 -0.77 -3.56 2.34 -1.26 -4.53 118.68 112.41 1sxl s LEU 87 Ca 0.28 1.99 -0.26 0.00 0.06 0.00 0.00 54.13 56.20 1sxl s LEU 87 Cb -0.11 -3.53 0.03 0.00 -0.56 0.00 0.00 46.19 42.01 1sxl s LEU 87 CO 0.20 -0.89 1.38 -0.44 -1.06 0.00 0.00 176.35 175.55 1sxl s SER 88 N 2.91 6.08 0.51 1.48 0.01 -0.64 -3.74 113.70 120.31 1sxl s SER 88 Ca 0.66 -0.50 -0.17 0.00 1.31 0.00 0.00 55.95 57.25 1sxl s SER 88 Cb -0.28 -2.56 -0.08 0.00 0.21 0.00 0.00 66.02 63.31 1sxl s SER 88 CO 0.24 -1.88 0.99 0.68 0.41 0.00 0.00 173.24 173.69 1sxl s VAL 89 N 6.12 4.35 0.00 3.43 -7.23 -1.26 -2.55 120.40 123.26 1sxl s VAL 89 Ca 0.41 1.20 0.00 0.00 -1.81 0.00 0.00 61.98 61.78 1sxl s VAL 89 Cb -0.07 -3.63 0.00 0.00 0.56 0.00 0.00 36.38 33.23 1sxl s VAL 89 CO 0.12 -0.57 0.00 -2.11 -0.31 0.00 0.00 175.10 172.23 1sxl n ARG 90 N -1.45 0.00 -1.74 4.82 1.85 -1.26 -4.99 116.66 113.88 1sxl n ARG 90 Ca 0.07 0.00 -0.42 0.00 -1.00 0.00 0.00 57.85 56.50 1sxl n ARG 90 Cb 0.54 0.00 -0.02 0.00 -1.05 0.00 0.00 32.46 31.93 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 4.36 -0.05 2.89 -0.00 -1.26 -2.22 117.00 120.73 1sxl n LEU 91 Ca 0.00 1.14 -0.11 0.00 -0.00 0.00 0.00 56.01 57.04 1sxl n LEU 91 Cb 0.00 -1.60 -0.15 0.00 -0.00 0.00 0.00 43.42 41.68 1sxl n LEU 91 CO 0.00 0.17 -0.81 0.00 -0.00 0.00 0.00 177.39 176.75 1sxl n ALA 92 N 2.31 1.44 -1.82 1.96 0.00 -1.26 -4.83 120.51 118.31 1sxl n ALA 92 Ca 0.09 -0.96 -0.02 0.00 0.00 0.00 0.00 53.44 52.55 1sxl n ALA 92 Cb 0.37 -0.57 0.01 0.00 0.00 0.00 0.00 19.45 19.26 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 -3.00 -0.36 0.00 0.00 0.00 -1.26 -5.00 120.64 111.02 1sxl n GLU 93 Ca -0.25 0.35 0.00 0.00 0.00 0.00 0.00 57.16 57.26 1sxl n GLU 93 Cb 1.08 -2.31 0.00 0.00 0.00 0.00 0.00 31.44 30.21 1sxl n GLU 93 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1sxl n GLU 94 N -1.59 0.94 0.00 5.31 1.02 -1.26 -5.09 120.64 119.98 1sxl n GLU 94 Ca -0.01 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.13 1sxl n GLU 94 Cb 0.51 -0.73 0.00 0.00 -0.02 0.00 0.00 31.44 31.21 1sxl n GLU 94 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 1sxl n HIS 95 N -1.55 0.00 0.00 -0.32 8.25 -1.26 -5.10 115.22 115.24 1sxl n HIS 95 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1sxl n HIS 95 Cb 0.23 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.34 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 0.00 -0.03 0.36 -1.41 0.00 -1.26 -4.98 105.19 97.87 1sxl n GLY 96 Ca 0.00 -0.01 0.05 0.00 0.00 0.00 0.00 46.02 46.06 1sxl n GLY 96 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90