#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sds h VAL 3 N 0.00 0.98 0.00 0.00 2.07 -2.00 -2.25 116.25 115.05 1sds h VAL 3 Ca 0.00 -0.61 0.00 0.00 0.82 0.00 0.00 66.70 66.91 1sds h VAL 3 Cb 0.00 1.34 0.00 0.00 -1.52 0.00 0.00 31.29 31.11 1sds h VAL 3 CO 0.00 0.17 0.00 0.00 0.02 0.00 0.00 177.57 177.76 1sds n TYR 4 N -4.12 0.00 -2.90 1.57 0.18 -1.26 -4.40 117.16 106.22 1sds n TYR 4 Ca -0.02 0.00 -0.43 0.00 1.88 0.00 0.00 57.90 59.32 1sds n TYR 4 Cb 0.24 -0.46 -0.04 0.00 -0.38 0.00 0.00 39.34 38.71 1sds n TYR 4 CO 0.00 0.00 0.00 0.08 -2.08 0.00 0.00 176.86 174.86 1sds s VAL 5 N -2.93 4.46 -0.03 -3.48 1.01 -0.85 -4.81 120.40 113.78 1sds s VAL 5 Ca 0.11 -0.70 0.31 0.00 0.00 0.00 0.00 61.98 61.70 1sds s VAL 5 Cb 0.13 -4.69 0.37 0.00 0.00 0.00 0.00 36.38 32.20 1sds s VAL 5 CO 0.35 -1.44 1.89 0.11 0.00 0.00 0.00 175.10 176.01 1sds h LYS 6 N 9.37 0.00 -3.11 2.72 1.79 -1.86 -3.47 116.57 122.01 1sds h LYS 6 Ca -0.19 0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.25 1sds h LYS 6 Cb 1.06 0.00 -0.13 0.00 -1.58 0.00 0.00 32.23 31.58 1sds h LYS 6 CO 1.16 0.01 0.09 -0.59 -1.08 0.00 0.00 179.45 179.05 1sds s PHE 7 N -3.55 -0.41 -0.04 -1.35 -0.12 -1.26 -5.09 117.98 106.15 1sds s PHE 7 Ca 0.03 0.19 -0.24 0.00 -0.05 0.00 0.00 56.93 56.86 1sds s PHE 7 Cb 0.08 0.43 -0.04 0.00 -0.63 0.00 0.00 43.02 42.86 1sds s PHE 7 CO 0.58 -0.78 0.74 0.21 -0.05 0.00 0.00 175.22 175.92 1sds s LYS 8 N -3.63 4.46 -0.24 1.99 2.47 -1.26 -4.93 119.74 118.60 1sds s LYS 8 Ca 0.01 0.96 -0.04 0.00 -1.56 0.00 0.00 55.97 55.34 1sds s LYS 8 Cb 0.00 -3.44 0.00 0.00 -1.46 0.00 0.00 37.83 32.94 1sds s LYS 8 CO -0.11 0.09 -0.02 0.08 0.16 0.00 0.00 175.35 175.54 1sds s VAL 9 N 0.69 3.42 0.51 4.02 1.01 -1.26 -4.97 120.40 123.83 1sds s VAL 9 Ca 0.39 -0.61 -0.22 0.00 0.00 0.00 0.00 61.98 61.54 1sds s VAL 9 Cb -0.18 -2.63 -0.07 0.00 0.00 0.00 0.00 36.38 33.50 1sds s VAL 9 CO 0.20 0.32 1.13 -2.65 0.00 0.00 0.00 175.10 174.10 1sds n PRO 10 N 4.79 1.39 -0.29 2.72 -0.02 -1.26 -4.71 135.00 137.63 1sds n PRO 10 Ca -0.17 0.51 0.13 0.00 -2.02 0.00 0.00 63.50 61.95 1sds n PRO 10 Cb 0.50 -2.28 0.38 0.00 -0.02 0.00 0.00 33.50 32.08 1sds n PRO 10 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1sds h GLU 11 N 1.26 0.65 -0.56 -0.52 4.81 -1.99 -0.28 114.58 117.96 1sds h GLU 11 Ca -0.48 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 58.67 1sds h GLU 11 Cb 1.33 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 30.54 1sds h GLU 11 CO 0.55 0.43 0.19 0.93 -0.73 0.00 0.00 179.01 180.39 1sds h GLU 12 N 0.67 0.84 0.05 1.92 5.08 -2.00 -1.36 114.58 119.78 1sds h GLU 12 Ca 0.48 -0.14 -0.23 0.00 -1.00 0.00 0.00 59.36 58.46 1sds h GLU 12 Cb 0.82 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 1sds h GLU 12 CO -0.23 0.71 -1.04 0.82 -1.00 0.00 0.00 179.01 178.26 1sds h ILE 13 N 0.82 1.54 -1.01 3.13 2.04 -1.47 -2.94 117.51 119.63 1sds h ILE 13 Ca 0.19 -2.94 0.03 0.00 1.00 0.00 0.00 64.86 63.13 1sds h ILE 13 Cb 0.21 2.72 -0.06 0.00 -0.74 0.00 0.00 36.82 38.96 1sds h ILE 13 CO -0.01 0.86 0.66 1.56 0.00 0.00 0.00 178.15 181.22 1sds h GLN 14 N 0.08 1.27 -0.91 2.37 4.20 -0.64 0.71 115.11 122.18 1sds h GLN 14 Ca -0.07 -0.08 0.00 0.00 0.06 0.00 0.00 58.65 58.56 1sds h GLN 14 Cb 1.74 -0.29 -0.04 0.00 0.30 0.00 0.00 27.48 29.19 1sds h GLN 14 CO 0.16 0.84 0.58 -0.22 -0.67 0.00 0.00 178.83 179.52 1sds h LYS 15 N 1.31 1.22 -0.32 1.46 1.63 -1.19 -0.74 116.57 119.93 1sds h LYS 15 Ca 0.39 -0.09 -0.08 0.00 -0.85 0.00 0.00 60.65 60.01 1sds h LYS 15 Cb -0.06 -0.27 -0.02 0.00 -0.60 0.00 0.00 32.23 31.29 1sds h LYS 15 CO -0.11 0.83 -0.16 0.93 -3.45 0.00 0.00 179.45 177.49 1sds h GLU 16 N 1.24 0.57 -0.33 1.90 5.08 -0.88 -0.93 114.58 121.24 1sds h GLU 16 Ca 0.33 -0.18 -0.07 0.00 -1.00 0.00 0.00 59.36 58.44 1sds h GLU 16 Cb -0.10 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.09 1sds h GLU 16 CO -0.07 0.71 -0.07 -0.07 -1.00 0.00 0.00 179.01 178.51 1sds h LEU 17 N 0.52 0.63 -0.99 1.33 3.38 -0.10 -0.57 115.31 119.51 1sds h LEU 17 Ca 0.09 -0.36 -0.07 0.00 0.09 0.00 0.00 57.88 57.63 1sds h LEU 17 Cb 0.57 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 1sds h LEU 17 CO 0.04 0.84 0.02 -0.07 0.09 0.00 0.00 178.44 179.36 1sds h LEU 18 N 0.40 0.71 -0.56 1.67 3.38 -0.98 -1.73 115.31 118.22 1sds h LEU 18 Ca 0.08 -0.16 -0.07 0.00 0.09 0.00 0.00 57.88 57.83 1sds h LEU 18 Cb 0.56 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 1sds h LEU 18 CO 0.03 0.77 0.09 -0.78 0.09 0.00 0.00 178.44 178.64 1sds h ASP 19 N 0.71 0.89 -0.92 -0.43 -0.00 -0.97 -1.71 116.42 113.99 1sds h ASP 19 Ca 0.14 -0.26 -0.01 0.00 -0.00 0.00 0.00 57.03 56.91 1sds h ASP 19 Cb 0.41 -0.24 -0.04 0.00 -0.00 0.00 0.00 39.33 39.46 1sds h ASP 19 CO 0.01 0.92 0.54 0.00 -0.00 0.00 0.00 179.24 180.72 1sds h ALA 20 N 1.00 1.17 -0.29 -0.78 0.00 -0.59 -1.10 119.26 118.67 1sds h ALA 20 Ca 0.17 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1sds h ALA 20 Cb 0.41 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1sds h ALA 20 CO 0.01 0.64 0.12 0.28 0.00 0.00 0.00 179.25 180.29 1sds h VAL 21 N 1.27 1.18 -0.10 0.00 2.07 -1.01 -1.11 116.25 118.54 1sds h VAL 21 Ca 0.33 -0.55 -0.03 0.00 0.82 0.00 0.00 66.70 67.26 1sds h VAL 21 Cb -0.04 1.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.72 1sds h VAL 21 CO -0.06 0.19 -0.10 0.00 0.02 0.00 0.00 177.57 177.62 1sds h ALA 22 N 0.96 1.66 0.00 1.67 0.00 -0.81 -2.75 119.26 119.99 1sds h ALA 22 Ca 0.10 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1sds h ALA 22 Cb 0.19 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1sds h ALA 22 CO -0.01 0.25 -0.68 1.63 0.00 0.00 0.00 179.25 180.45 1sds n LYS 23 N -4.34 0.02 -1.72 0.00 5.02 -0.46 -4.96 118.16 111.72 1sds n LYS 23 Ca -0.01 0.00 -0.39 0.00 -2.02 0.00 0.00 58.31 55.89 1sds n LYS 23 Cb 0.22 -1.51 0.04 0.00 -0.02 0.00 0.00 35.03 33.76 1sds n LYS 23 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1sds n ALA 24 N -1.53 1.38 0.06 7.82 0.00 -0.44 -3.58 120.51 124.23 1sds n ALA 24 Ca 0.05 0.14 -0.13 0.00 0.00 0.00 0.00 53.44 53.50 1sds n ALA 24 Cb 0.34 -2.31 -0.14 0.00 0.00 0.00 0.00 19.45 17.34 1sds n ALA 24 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1sds h GLN 25 N 1.44 0.16 -2.97 0.00 1.08 -0.68 -3.45 115.11 110.69 1sds h GLN 25 Ca -0.50 -0.28 -0.20 0.00 -1.45 0.00 0.00 58.65 56.23 1sds h GLN 25 Cb 1.31 0.10 -0.30 0.00 -0.05 0.00 0.00 27.48 28.54 1sds h GLN 25 CO 0.57 1.04 -0.48 0.21 -0.95 0.00 0.00 178.83 179.21 1sds s LYS 26 N -2.65 0.20 0.22 1.46 2.20 -0.93 -4.96 119.74 115.29 1sds s LYS 26 Ca -0.05 0.58 0.00 0.00 -0.36 0.00 0.00 55.97 56.15 1sds s LYS 26 Cb 0.08 -0.10 -0.05 0.00 -1.51 0.00 0.00 37.83 36.25 1sds s LYS 26 CO 0.85 -0.19 0.10 0.96 -0.36 0.00 0.00 175.35 176.71 1sds s ILE 27 N 1.48 0.32 -0.06 5.43 -4.36 -1.26 -0.80 121.20 121.96 1sds s ILE 27 Ca -0.07 -1.99 0.04 0.00 -0.26 0.00 0.00 60.65 58.36 1sds s ILE 27 Cb -0.11 -2.53 -0.00 0.00 1.25 0.00 0.00 42.46 41.08 1sds s ILE 27 CO -0.09 -0.05 -0.19 -0.54 0.24 0.00 0.00 174.94 174.32 1sds s LYS 28 N -4.08 2.11 -0.08 0.37 -0.14 -0.06 -4.90 119.74 112.97 1sds s LYS 28 Ca 0.37 -0.67 0.04 0.00 -1.36 0.00 0.00 55.97 54.35 1sds s LYS 28 Cb 0.07 -1.75 0.00 0.00 -1.68 0.00 0.00 37.83 34.48 1sds s LYS 28 CO 0.12 0.21 -0.20 -1.59 -0.76 0.00 0.00 175.35 173.13 1sds s LYS 29 N 0.18 2.48 0.00 1.68 -2.85 -1.26 -0.74 119.74 119.23 1sds s LYS 29 Ca -0.09 -0.71 0.00 0.00 -1.00 0.00 0.00 55.97 54.17 1sds s LYS 29 Cb -0.14 -1.95 0.00 0.00 -2.06 0.00 0.00 37.83 33.69 1sds s LYS 29 CO 0.04 0.15 0.00 0.41 0.10 0.00 0.00 175.35 176.05 1sds n GLY 30 N 3.54 2.83 0.37 0.59 0.00 -0.56 -4.62 105.19 107.34 1sds n GLY 30 Ca -0.20 -1.65 0.11 0.00 0.00 0.00 0.00 46.02 44.28 1sds n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sds h ALA 31 N 0.00 1.76 -0.02 4.61 0.00 -1.94 -0.10 119.26 123.56 1sds h ALA 31 Ca 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1sds h ALA 31 Cb 0.00 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 1sds h ALA 31 CO 0.00 -0.01 -0.03 -0.97 0.00 0.00 0.00 179.25 178.25 1sds h ASN 32 N 0.76 0.06 -0.08 0.00 -1.24 -1.96 -1.50 115.58 111.63 1sds h ASN 32 Ca 0.47 -0.51 -0.10 0.00 0.71 0.00 0.00 56.30 56.87 1sds h ASN 32 Cb 0.68 -0.02 -0.01 0.00 0.73 0.00 0.00 38.32 39.70 1sds h ASN 32 CO -0.23 0.56 -0.24 -0.33 -1.29 0.00 0.00 177.43 175.90 1sds h GLU 33 N -0.43 0.51 -0.29 6.67 5.08 -1.76 -0.85 114.58 123.50 1sds h GLU 33 Ca 0.00 -0.19 -0.06 0.00 -1.00 0.00 0.00 59.36 58.12 1sds h GLU 33 Cb 0.54 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 1sds h GLU 33 CO 0.01 0.71 -0.04 0.28 -1.00 0.00 0.00 179.01 178.97 1sds h VAL 34 N 0.45 1.27 -0.56 3.13 2.07 -1.04 -0.73 116.25 120.83 1sds h VAL 34 Ca 0.07 -1.03 -0.04 0.00 0.82 0.00 0.00 66.70 66.51 1sds h VAL 34 Cb 0.66 1.35 -0.02 0.00 -1.52 0.00 0.00 31.29 31.76 1sds h VAL 34 CO 0.05 0.33 0.18 0.74 0.02 0.00 0.00 177.57 178.89 1sds h THR 35 N 0.32 1.24 -0.80 2.57 2.02 -1.10 -1.31 112.91 115.85 1sds h THR 35 Ca 0.08 -0.79 -0.02 0.00 0.77 0.00 0.00 66.41 66.44 1sds h THR 35 Cb 0.50 0.69 -0.04 0.00 -1.74 0.00 0.00 68.15 67.56 1sds h THR 35 CO 0.02 0.30 0.41 0.11 0.37 0.00 0.00 175.52 176.73 1sds h LYS 36 N 0.79 1.13 -0.48 6.66 1.57 -1.04 -0.95 116.57 124.25 1sds h LYS 36 Ca 0.18 -0.15 -0.03 0.00 -1.87 0.00 0.00 60.65 58.78 1sds h LYS 36 Cb 0.27 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.35 1sds h LYS 36 CO -0.01 0.86 0.18 0.00 -0.57 0.00 0.00 179.45 179.91 1sds h ALA 37 N 1.21 0.62 -0.67 3.86 0.00 -0.75 -0.21 119.26 123.33 1sds h ALA 37 Ca 0.28 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 1sds h ALA 37 Cb 0.08 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1sds h ALA 37 CO -0.04 0.25 0.09 0.28 0.00 0.00 0.00 179.25 179.83 1sds h VAL 38 N 0.63 1.27 -0.05 0.00 2.07 -0.99 -0.96 116.25 118.22 1sds h VAL 38 Ca 0.16 -1.07 -0.10 0.00 0.82 0.00 0.00 66.70 66.51 1sds h VAL 38 Cb 0.22 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 1sds h VAL 38 CO -0.01 0.40 -0.44 -0.33 0.02 0.00 0.00 177.57 177.21 1sds h GLU 39 N 1.04 0.12 0.00 1.57 5.08 -0.96 -2.21 114.58 119.22 1sds h GLU 39 Ca 0.20 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 1sds h GLU 39 Cb 0.47 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.72 1sds h GLU 39 CO 0.02 0.54 -0.08 0.54 -1.00 0.00 0.00 179.01 179.02 1sds n ARG 40 N -4.01 0.00 -1.31 2.33 3.00 -0.11 -4.93 116.66 111.64 1sds n ARG 40 Ca -0.02 0.00 -0.05 0.00 -0.01 0.00 0.00 57.85 57.78 1sds n ARG 40 Cb 0.48 -1.50 -0.02 0.00 0.00 0.00 0.00 32.46 31.42 1sds n ARG 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1sds n GLY 41 N 1.50 0.65 0.63 -0.13 0.00 -0.46 -4.94 105.19 102.44 1sds n GLY 41 Ca 0.07 -0.82 0.10 0.00 0.00 0.00 0.00 46.02 45.37 1sds n GLY 41 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1sds n ILE 42 N -3.06 0.00 -2.87 -0.61 -5.35 -0.65 -4.95 119.36 101.87 1sds n ILE 42 Ca -0.05 -0.38 -0.40 0.00 -0.27 0.00 0.00 62.75 61.65 1sds n ILE 42 Cb 0.22 1.33 -0.05 0.00 -1.74 0.00 0.00 39.64 39.40 1sds n ILE 42 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1sds s ALA 43 N -2.07 3.33 -0.18 -1.28 0.00 -1.23 -4.57 121.76 115.76 1sds s ALA 43 Ca 0.20 0.43 0.18 0.00 0.00 0.00 0.00 51.96 52.78 1sds s ALA 43 Cb 0.17 -3.12 -0.26 0.00 0.00 0.00 0.00 23.12 19.92 1sds s ALA 43 CO 0.41 0.07 0.12 1.63 0.00 0.00 0.00 175.76 177.99 1sds n LYS 44 N 2.54 0.71 -3.66 0.00 5.02 0.05 -4.91 118.16 117.90 1sds n LYS 44 Ca -0.01 -0.03 -0.09 0.00 -2.02 0.00 0.00 58.31 56.15 1sds n LYS 44 Cb 0.49 -1.52 -0.08 0.00 -0.02 0.00 0.00 35.03 33.90 1sds n LYS 44 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1sds s LEU 45 N -5.35 -0.56 -0.16 -0.35 2.96 -1.21 -4.15 118.68 109.85 1sds s LEU 45 Ca -0.10 1.26 -0.02 0.00 -0.22 0.00 0.00 54.13 55.06 1sds s LEU 45 Cb 0.07 2.00 -0.01 0.00 0.50 0.00 0.00 46.19 48.74 1sds s LEU 45 CO 0.83 -0.22 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.86 1sds s VAL 46 N 1.33 3.20 -0.18 1.68 1.01 -0.43 -0.62 120.40 126.38 1sds s VAL 46 Ca -0.08 -0.59 -0.03 0.00 0.00 0.00 0.00 61.98 61.27 1sds s VAL 46 Cb -0.06 -2.38 -0.02 0.00 0.00 0.00 0.00 36.38 33.92 1sds s VAL 46 CO -0.14 0.49 -0.04 -0.63 0.00 0.00 0.00 175.10 174.78 1sds s ILE 47 N 0.69 3.63 -0.11 2.22 1.01 0.40 -1.18 121.20 127.86 1sds s ILE 47 Ca -0.05 -0.43 0.02 0.00 0.00 0.00 0.00 60.65 60.19 1sds s ILE 47 Cb -0.15 -2.61 -0.01 0.00 0.01 0.00 0.00 42.46 39.70 1sds s ILE 47 CO 0.02 0.46 -0.17 -0.63 0.00 0.00 0.00 174.94 174.63 1sds s ILE 48 N 0.83 2.76 0.38 2.92 1.01 -0.28 -0.96 121.20 127.86 1sds s ILE 48 Ca -0.01 -0.78 -0.25 0.00 0.00 0.00 0.00 60.65 59.60 1sds s ILE 48 Cb -0.15 -2.12 -0.09 0.00 0.01 0.00 0.00 42.46 40.12 1sds s ILE 48 CO 0.02 0.54 1.13 0.00 0.00 0.00 0.00 174.94 176.63 1sds s ALA 49 N 0.15 3.17 -0.69 9.38 0.00 -0.25 -2.12 121.76 131.41 1sds s ALA 49 Ca -0.09 0.89 0.25 0.00 0.00 0.00 0.00 51.96 53.01 1sds s ALA 49 Cb -0.15 -3.34 0.57 0.00 0.00 0.00 0.00 23.12 20.19 1sds s ALA 49 CO 0.05 -0.39 1.54 0.39 0.00 0.00 0.00 175.76 177.35 1sds n GLU 50 N 0.20 0.27 -1.26 0.00 1.02 0.31 -4.18 120.64 117.00 1sds n GLU 50 Ca 0.04 0.15 -0.22 0.00 -0.02 0.00 0.00 57.16 57.10 1sds n GLU 50 Cb 0.47 -1.74 0.13 0.00 -0.02 0.00 0.00 31.44 30.28 1sds n GLU 50 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1sds n ASP 51 N -2.18 4.79 -4.70 1.62 5.75 -1.21 -4.66 116.55 115.96 1sds n ASP 51 Ca 0.04 -3.74 -0.41 0.00 -0.01 0.00 0.00 54.79 50.68 1sds n ASP 51 Cb 0.43 -0.76 -0.04 0.00 -1.03 0.00 0.00 41.12 39.72 1sds n ASP 51 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1sds s VAL 52 N -3.94 4.93 -0.07 2.12 1.01 -1.26 -4.90 120.40 118.29 1sds s VAL 52 Ca 0.55 1.74 -0.03 0.00 0.00 0.00 0.00 61.98 64.24 1sds s VAL 52 Cb 0.46 -4.18 0.04 0.00 0.00 0.00 0.00 36.38 32.70 1sds s VAL 52 CO 0.03 0.15 0.16 -0.54 0.00 0.00 0.00 175.10 174.90 1sds s LYS 53 N 1.27 0.08 0.37 2.72 1.02 -1.26 -3.34 119.74 120.61 1sds s LYS 53 Ca 0.43 0.43 -0.28 0.00 0.02 0.00 0.00 55.97 56.57 1sds s LYS 53 Cb -0.19 -0.20 -0.11 0.00 -0.52 0.00 0.00 37.83 36.82 1sds s LYS 53 CO 0.20 -0.20 1.51 -2.14 -0.92 0.00 0.00 175.35 173.80 1sds s PRO 54 N 1.45 4.09 0.58 -1.68 0.02 -1.26 -5.06 135.00 133.14 1sds s PRO 54 Ca -0.06 2.60 0.28 0.00 0.02 0.00 0.00 61.00 63.84 1sds s PRO 54 Cb -0.12 -2.96 1.74 0.00 0.02 0.00 0.00 34.50 33.18 1sds s PRO 54 CO -0.06 -0.57 2.23 0.93 -0.33 0.00 0.00 177.00 179.20 1sds h GLU 55 N 3.10 0.00 -0.12 5.54 3.07 -1.98 -2.63 114.58 121.56 1sds h GLU 55 Ca -0.51 0.00 0.03 0.00 -0.50 0.00 0.00 59.36 58.39 1sds h GLU 55 Cb 1.24 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.14 1sds h GLU 55 CO 0.65 0.01 0.19 0.93 -1.40 0.00 0.00 179.01 179.39 1sds h GLU 56 N 0.00 0.00 -0.97 2.33 5.08 -1.97 -1.12 114.58 117.92 1sds h GLU 56 Ca -0.00 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.37 1sds h GLU 56 Cb 0.04 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.24 1sds h GLU 56 CO 0.00 0.00 0.64 0.28 -1.00 0.00 0.00 179.01 178.93 1sds h VAL 57 N 0.00 1.25 -0.00 3.13 2.07 -1.85 -3.29 116.25 117.57 1sds h VAL 57 Ca 0.06 -0.47 0.00 0.00 0.82 0.00 0.00 66.70 67.10 1sds h VAL 57 Cb 0.43 -0.17 0.00 0.00 -1.52 0.00 0.00 31.29 30.03 1sds h VAL 57 CO -0.00 0.25 -0.01 1.33 0.02 0.00 0.00 177.57 179.15 1sds n VAL 58 N -4.38 0.00 0.20 2.57 0.24 -0.96 -4.76 118.33 111.23 1sds n VAL 58 Ca 0.11 -0.49 0.18 0.00 -2.04 0.00 0.00 64.34 62.10 1sds n VAL 58 Cb 0.02 1.04 0.82 0.00 -1.47 0.00 0.00 33.84 34.25 1sds n VAL 58 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1sds h ALA 59 N 0.39 1.82 0.00 2.33 0.00 -1.28 -1.09 119.26 121.44 1sds h ALA 59 Ca 0.00 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 1sds h ALA 59 Cb 0.08 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1sds h ALA 59 CO 0.00 -0.34 -0.20 1.12 0.00 0.00 0.00 179.25 179.83 1sds h HIS 60 N 0.00 0.00 -0.19 0.00 2.07 -1.86 -3.37 115.15 111.80 1sds h HIS 60 Ca 0.10 0.00 0.02 0.00 -2.85 0.00 0.00 60.37 57.64 1sds h HIS 60 Cb 0.57 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.52 1sds h HIS 60 CO 0.00 0.20 0.05 -0.07 -3.07 0.00 0.00 177.93 175.03 1sds h LEU 61 N 0.00 0.03 -0.59 6.12 3.38 -1.55 -0.55 115.31 122.15 1sds h LEU 61 Ca -0.00 0.03 0.05 0.00 0.09 0.00 0.00 57.88 58.05 1sds h LEU 61 Cb 0.96 0.03 -0.05 0.00 0.09 0.00 0.00 40.66 41.69 1sds h LEU 61 CO 0.03 0.05 0.31 -0.65 0.09 0.00 0.00 178.44 178.26 1sds h PRO 62 N 0.13 0.57 -0.21 1.13 0.11 -1.76 0.61 132.00 132.58 1sds h PRO 62 Ca 0.09 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 66.14 1sds h PRO 62 Cb 0.07 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.04 1sds h PRO 62 CO -0.10 0.38 0.05 1.88 -0.21 0.00 0.00 178.00 179.99 1sds h TYR 63 N 0.59 0.36 -0.37 0.65 -1.99 -1.74 -1.31 116.97 113.16 1sds h TYR 63 Ca 0.26 -0.04 0.01 0.00 2.00 0.00 0.00 58.73 60.96 1sds h TYR 63 Cb 0.17 -0.10 -0.02 0.00 2.00 0.00 0.00 36.73 38.77 1sds h TYR 63 CO -0.09 0.45 0.22 1.25 -0.00 0.00 0.00 178.16 179.99 1sds h LEU 64 N 0.16 0.37 -0.38 3.88 5.85 -0.72 -1.35 115.31 123.12 1sds h LEU 64 Ca 0.07 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 1sds h LEU 64 Cb 0.28 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.21 1sds h LEU 64 CO 0.00 0.27 0.22 0.00 -0.34 0.00 0.00 178.44 178.58 1sds h GLU 66 N 0.49 0.81 -0.45 0.00 4.39 -0.92 0.35 114.58 119.24 1sds h GLU 66 Ca 0.13 -0.05 -0.12 0.00 0.34 0.00 0.00 59.36 59.66 1sds h GLU 66 Cb 0.03 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 28.49 1sds h GLU 66 CO -0.02 0.53 -0.21 0.93 -1.16 0.00 0.00 179.01 179.08 1sds h GLU 67 N 0.83 0.90 -0.00 2.33 4.39 -0.73 -2.94 114.58 119.36 1sds h GLU 67 Ca 0.44 -0.37 0.00 0.00 0.34 0.00 0.00 59.36 59.76 1sds h GLU 67 Cb 0.44 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.05 1sds h GLU 67 CO -0.27 1.02 -0.14 1.63 -1.16 0.00 0.00 179.01 180.09 1sds n LYS 68 N -4.11 0.36 -1.39 2.33 4.76 -0.39 -4.91 118.16 114.81 1sds n LYS 68 Ca 0.00 -0.11 -0.08 0.00 -2.87 0.00 0.00 58.31 55.25 1sds n LYS 68 Cb 0.44 -1.50 -0.03 0.00 -1.84 0.00 0.00 35.03 32.11 1sds n LYS 68 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1sds n GLY 69 N 1.38 0.83 3.74 0.72 0.00 0.11 -5.00 105.19 106.96 1sds n GLY 69 Ca 0.11 -0.66 -0.37 0.00 0.00 0.00 0.00 46.02 45.10 1sds n GLY 69 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1sds s ILE 70 N -2.31 5.21 0.40 -0.61 1.09 -0.35 -5.01 121.20 119.61 1sds s ILE 70 Ca 0.00 0.81 -0.26 0.00 -1.10 0.00 0.00 60.65 60.10 1sds s ILE 70 Cb 0.00 -3.74 -0.09 0.00 -1.06 0.00 0.00 42.46 37.57 1sds s ILE 70 CO 0.00 0.38 1.28 -2.84 -0.10 0.00 0.00 174.94 173.66 1sds s PRO 71 N 0.36 4.00 0.02 2.79 0.02 -1.26 -4.38 135.00 136.55 1sds s PRO 71 Ca 0.23 2.11 -0.09 0.00 0.02 0.00 0.00 61.00 63.27 1sds s PRO 71 Cb -0.15 -2.76 0.00 0.00 0.02 0.00 0.00 34.50 31.62 1sds s PRO 71 CO 0.09 -0.45 0.17 1.52 -0.33 0.00 0.00 177.00 177.99 1sds s TYR 72 N -1.27 0.04 0.26 6.54 -0.85 -1.26 -1.32 117.35 119.49 1sds s TYR 72 Ca 0.56 -0.18 -0.03 0.00 -0.52 0.00 0.00 57.07 56.91 1sds s TYR 72 Cb -0.37 -0.04 0.01 0.00 0.38 0.00 0.00 41.96 41.94 1sds s TYR 72 CO 0.48 -0.36 0.39 0.00 -1.52 0.00 0.00 175.55 174.54 1sds n ALA 73 N 1.09 -0.40 -2.31 9.51 0.00 -0.32 -4.95 120.51 123.13 1sds n ALA 73 Ca -0.21 -1.15 -0.14 0.00 0.00 0.00 0.00 53.44 51.95 1sds n ALA 73 Cb 0.57 0.92 -0.10 0.00 0.00 0.00 0.00 19.45 20.84 1sds n ALA 73 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1sds s TYR 74 N -3.58 1.14 0.03 0.00 1.51 -1.26 -1.13 117.35 114.06 1sds s TYR 74 Ca 0.20 -0.75 0.03 0.00 -1.01 0.00 0.00 57.07 55.53 1sds s TYR 74 Cb -0.01 -0.60 -0.02 0.00 -0.11 0.00 0.00 41.96 41.22 1sds s TYR 74 CO 0.14 0.02 -0.08 0.14 -1.11 0.00 0.00 175.55 174.66 1sds s VAL 75 N -3.08 0.63 0.23 0.71 -7.23 -0.90 -4.75 120.40 106.01 1sds s VAL 75 Ca 0.12 -0.77 -0.07 0.00 -1.81 0.00 0.00 61.98 59.45 1sds s VAL 75 Cb 0.01 -0.62 0.20 0.00 0.56 0.00 0.00 36.38 36.53 1sds s VAL 75 CO -0.01 -0.12 1.84 0.00 -0.31 0.00 0.00 175.10 176.50 1sds h ALA 76 N 5.11 1.13 -3.21 1.32 0.00 -1.95 0.90 119.26 122.56 1sds h ALA 76 Ca -0.34 -0.15 -0.66 0.00 0.00 0.00 0.00 54.91 53.76 1sds h ALA 76 Cb 1.19 -0.35 -0.29 0.00 0.00 0.00 0.00 17.79 18.34 1sds h ALA 76 CO 0.45 0.67 -0.79 0.45 0.00 0.00 0.00 179.25 180.03 1sds s SER 77 N -6.26 3.82 0.41 0.00 0.15 -1.26 -3.32 113.70 107.24 1sds s SER 77 Ca -0.13 -0.42 0.15 0.00 0.70 0.00 0.00 55.95 56.25 1sds s SER 77 Cb 0.17 -1.59 0.88 0.00 -1.71 0.00 0.00 66.02 63.76 1sds s SER 77 CO 0.83 0.10 1.90 0.07 1.20 0.00 0.00 173.24 177.34 1sds h LYS 78 N 7.22 0.00 -0.23 5.44 2.10 -1.85 -0.92 116.57 128.33 1sds h LYS 78 Ca -0.32 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.30 1sds h LYS 78 Cb 1.19 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.51 1sds h LYS 78 CO 0.57 0.29 0.01 0.37 -2.00 0.00 0.00 179.45 178.68 1sds h GLN 79 N 0.00 0.39 -0.73 0.07 5.75 -1.90 -0.20 115.11 118.49 1sds h GLN 79 Ca -0.00 -0.12 -0.02 0.00 -0.15 0.00 0.00 58.65 58.35 1sds h GLN 79 Cb 0.53 -0.04 -0.03 0.00 1.07 0.00 0.00 27.48 29.00 1sds h GLN 79 CO 0.04 0.57 0.36 -0.44 -2.65 0.00 0.00 178.83 176.71 1sds h ASP 80 N 0.17 0.95 -0.68 -0.69 3.32 -1.80 -1.67 116.42 116.01 1sds h ASP 80 Ca 0.06 -0.13 -0.07 0.00 0.02 0.00 0.00 57.03 56.92 1sds h ASP 80 Cb 0.39 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.67 1sds h ASP 80 CO 0.01 0.81 0.14 0.25 -1.72 0.00 0.00 179.24 178.73 1sds h LEU 81 N 1.02 1.06 -0.57 1.55 5.85 -1.03 -0.99 115.31 122.20 1sds h LEU 81 Ca 0.25 -0.25 -0.04 0.00 0.84 0.00 0.00 57.88 58.69 1sds h LEU 81 Cb 0.10 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.83 1sds h LEU 81 CO -0.03 1.03 0.21 1.23 -0.34 0.00 0.00 178.44 180.54 1sds h GLY 82 N 1.04 0.92 1.00 3.75 0.00 -0.77 -1.62 103.07 107.39 1sds h GLY 82 Ca 0.21 -0.51 -0.02 0.00 0.00 0.00 0.00 47.33 47.01 1sds h GLY 82 CO 0.01 0.48 0.33 1.70 0.00 0.00 0.00 176.54 179.06 1sds h LYS 83 N 0.78 0.90 -0.39 4.80 3.64 -1.01 -0.07 116.57 125.22 1sds h LYS 83 Ca 0.19 -0.12 -0.03 0.00 -1.27 0.00 0.00 60.65 59.43 1sds h LYS 83 Cb 0.22 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 31.85 1sds h LYS 83 CO -0.01 0.70 0.14 0.00 -2.27 0.00 0.00 179.45 178.00 1sds h ALA 84 N 1.16 1.51 0.00 5.00 0.00 -0.95 -0.95 119.26 125.02 1sds h ALA 84 Ca 0.22 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1sds h ALA 84 Cb 0.07 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1sds h ALA 84 CO -0.03 0.38 0.00 0.00 0.00 0.00 0.00 179.25 179.59 1sds n ALA 85 N -2.47 2.59 -0.75 0.00 0.00 -0.63 -3.45 120.51 115.80 1sds n ALA 85 Ca 0.03 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1sds n ALA 85 Cb 0.16 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 18.34 1sds n ALA 85 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sds n GLY 86 N 0.75 0.58 3.99 0.00 0.00 -0.36 -5.06 105.19 105.09 1sds n GLY 86 Ca 0.12 -0.39 -0.19 0.00 0.00 0.00 0.00 46.02 45.56 1sds n GLY 86 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sds s LEU 87 N 0.00 3.97 0.00 0.99 1.43 -0.11 -5.00 118.68 119.96 1sds s LEU 87 Ca 0.00 -0.17 0.24 0.00 -1.03 0.00 0.00 54.13 53.16 1sds s LEU 87 Cb 0.00 -2.77 0.20 0.00 0.03 0.00 0.00 46.19 43.66 1sds s LEU 87 CO 0.00 -0.44 1.22 -1.84 0.23 0.00 0.00 176.35 175.52 1sds n GLU 88 N -1.65 1.10 -4.58 1.70 -0.00 -1.26 -3.97 120.64 111.98 1sds n GLU 88 Ca -0.00 -0.85 -0.29 0.00 -0.00 0.00 0.00 57.16 56.01 1sds n GLU 88 Cb 0.58 -1.48 -0.07 0.00 -0.00 0.00 0.00 31.44 30.47 1sds n GLU 88 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.13 178.46 1sds n VAL 89 N -0.20 0.00 -1.61 3.84 0.24 -1.26 -4.99 118.33 114.34 1sds n VAL 89 Ca 0.10 -2.42 -0.30 0.00 -2.04 0.00 0.00 64.34 59.68 1sds n VAL 89 Cb 0.43 0.67 0.09 0.00 -1.47 0.00 0.00 33.84 33.56 1sds n VAL 89 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1sds s ALA 90 N -3.00 2.31 -0.08 2.33 0.00 -1.26 -4.02 121.76 118.05 1sds s ALA 90 Ca 0.10 -0.26 -0.03 0.00 0.00 0.00 0.00 51.96 51.77 1sds s ALA 90 Cb 0.00 -3.09 0.04 0.00 0.00 0.00 0.00 23.12 20.08 1sds s ALA 90 CO 0.07 -1.69 0.15 0.00 0.00 0.00 0.00 175.76 174.30 1sds s ALA 91 N -3.21 -0.20 0.33 0.00 0.00 -0.68 -4.76 121.76 113.24 1sds s ALA 91 Ca 0.61 0.61 0.18 0.00 0.00 0.00 0.00 51.96 53.36 1sds s ALA 91 Cb -0.14 -0.67 0.92 0.00 0.00 0.00 0.00 23.12 23.23 1sds s ALA 91 CO 0.54 -0.39 1.87 0.66 0.00 0.00 0.00 175.76 178.44 1sds h SER 92 N 7.89 0.00 -4.87 0.00 4.64 -1.95 -3.40 113.55 115.86 1sds h SER 92 Ca -0.26 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 61.08 1sds h SER 92 Cb 1.13 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.08 1sds h SER 92 CO 0.26 0.30 0.30 -0.94 -0.87 0.00 0.00 176.83 175.88 1sds s SER 93 N -6.59 -0.51 -0.01 4.97 1.04 -1.26 -1.09 113.70 110.25 1sds s SER 93 Ca -0.02 0.06 -0.05 0.00 0.48 0.00 0.00 55.95 56.42 1sds s SER 93 Cb 0.13 0.52 0.00 0.00 0.10 0.00 0.00 66.02 66.78 1sds s SER 93 CO 0.68 -0.83 0.10 -0.69 0.98 0.00 0.00 173.24 173.48 1sds s VAL 94 N -3.32 0.06 -0.11 5.02 1.01 -0.14 -1.49 120.40 121.43 1sds s VAL 94 Ca 0.01 -0.47 0.03 0.00 0.00 0.00 0.00 61.98 61.55 1sds s VAL 94 Cb -0.01 -0.30 0.01 0.00 0.00 0.00 0.00 36.38 36.08 1sds s VAL 94 CO -0.10 -0.26 -0.20 0.00 0.00 0.00 0.00 175.10 174.55 1sds s ALA 95 N -0.85 1.97 -0.24 5.51 0.00 0.08 -0.45 121.76 127.78 1sds s ALA 95 Ca -0.09 -0.89 -0.21 0.00 0.00 0.00 0.00 51.96 50.77 1sds s ALA 95 Cb -0.05 -0.85 -0.02 0.00 0.00 0.00 0.00 23.12 22.20 1sds s ALA 95 CO 0.01 0.08 0.65 0.42 0.00 0.00 0.00 175.76 176.92 1sds s ILE 96 N 0.69 4.97 -0.22 0.00 1.01 0.20 -0.88 121.20 126.97 1sds s ILE 96 Ca -0.12 1.20 -0.08 0.00 0.00 0.00 0.00 60.65 61.66 1sds s ILE 96 Cb -0.16 -3.96 -0.19 0.00 0.01 0.00 0.00 42.46 38.16 1sds s ILE 96 CO 0.02 0.03 -0.04 -0.38 0.00 0.00 0.00 174.94 174.58 1sds n ILE 97 N 5.11 1.58 -3.77 2.92 2.08 0.02 -0.77 119.36 126.53 1sds n ILE 97 Ca 0.00 -0.47 -0.28 0.00 0.56 0.00 0.00 62.75 62.57 1sds n ILE 97 Cb 0.49 -1.71 -0.16 0.00 -0.75 0.00 0.00 39.64 37.51 1sds n ILE 97 CO 0.00 0.00 0.00 0.21 0.56 0.00 0.00 176.55 177.32 1sds s ASN 98 N -6.94 2.96 0.84 4.38 3.84 -0.64 -4.64 114.94 114.74 1sds s ASN 98 Ca -0.32 -0.82 -0.12 0.00 0.21 0.00 0.00 52.86 51.82 1sds s ASN 98 Cb 0.09 -0.68 0.10 0.00 -0.55 0.00 0.00 41.25 40.21 1sds s ASN 98 CO 0.62 -0.29 1.10 -1.83 -2.79 0.00 0.00 177.10 173.91 1sds s GLU 99 N 1.79 1.70 0.09 0.43 1.03 -1.26 -0.12 118.70 122.36 1sds s GLU 99 Ca -0.01 0.68 -0.04 0.00 0.03 0.00 0.00 54.97 55.63 1sds s GLU 99 Cb -0.17 -1.87 -0.22 0.00 -0.80 0.00 0.00 34.13 31.07 1sds s GLU 99 CO -0.08 -1.90 1.19 0.78 -1.33 0.00 0.00 175.26 173.93 1sds h GLY 100 N -1.30 0.33 -7.06 -3.83 0.00 -1.85 -3.36 103.07 86.00 1sds h GLY 100 Ca -0.48 -0.77 -0.34 0.00 0.00 0.00 0.00 47.33 45.74 1sds h GLY 100 CO 0.58 0.67 -0.68 -0.35 0.00 0.00 0.00 176.54 176.76 1sds s ASP 101 N -7.12 1.05 0.16 0.19 -1.08 -1.26 -4.97 116.67 103.64 1sds s ASP 101 Ca -0.04 0.14 -0.17 0.00 -0.52 0.00 0.00 52.55 51.95 1sds s ASP 101 Cb 0.08 0.09 0.07 0.00 -1.46 0.00 0.00 42.92 41.70 1sds s ASP 101 CO 0.88 -0.26 1.68 0.00 0.52 0.00 0.00 175.17 177.99 1sds h ALA 102 N 8.39 0.26 -0.56 3.66 0.00 -2.00 -2.07 119.26 126.95 1sds h ALA 102 Ca -0.13 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1sds h ALA 102 Cb 1.12 0.24 -0.03 0.00 0.00 0.00 0.00 17.79 19.13 1sds h ALA 102 CO 0.16 -0.44 0.31 0.93 0.00 0.00 0.00 179.25 180.22 1sds h GLU 103 N 0.03 0.77 -0.81 0.00 3.07 -1.99 -1.25 114.58 114.40 1sds h GLU 103 Ca 0.17 -0.08 -0.00 0.00 -0.50 0.00 0.00 59.36 58.95 1sds h GLU 103 Cb 0.26 -0.15 -0.04 0.00 -0.84 0.00 0.00 28.75 27.97 1sds h GLU 103 CO -0.34 0.59 0.50 0.93 -1.40 0.00 0.00 179.01 179.28 1sds h GLU 104 N 0.75 1.10 -0.32 2.33 5.08 -1.93 -1.56 114.58 120.03 1sds h GLU 104 Ca 0.20 -0.09 -0.03 0.00 -1.00 0.00 0.00 59.36 58.44 1sds h GLU 104 Cb 0.03 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.03 1sds h GLU 104 CO -0.03 0.76 0.09 1.25 -1.00 0.00 0.00 179.01 180.08 1sds h LEU 105 N 1.11 0.47 -0.81 1.33 5.85 -1.01 -1.48 115.31 120.77 1sds h LEU 105 Ca 0.29 -0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.80 1sds h LEU 105 Cb -0.06 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 40.80 1sds h LEU 105 CO -0.06 0.56 0.52 0.50 -0.34 0.00 0.00 178.44 179.63 1sds h LYS 106 N 0.36 1.08 -0.52 1.25 3.64 -0.93 0.75 116.57 122.20 1sds h LYS 106 Ca 0.10 -0.08 -0.10 0.00 -1.27 0.00 0.00 60.65 59.31 1sds h LYS 106 Cb 0.26 -0.24 -0.02 0.00 -0.41 0.00 0.00 32.23 31.83 1sds h LYS 106 CO -0.00 0.73 -0.06 0.28 -2.27 0.00 0.00 179.45 178.13 1sds h VAL 107 N 1.11 1.27 -0.50 2.00 2.07 -1.16 -1.99 116.25 119.04 1sds h VAL 107 Ca 0.30 -1.19 -0.07 0.00 0.82 0.00 0.00 66.70 66.55 1sds h VAL 107 Cb -0.10 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 30.64 1sds h VAL 107 CO -0.06 0.42 0.03 0.25 0.02 0.00 0.00 177.57 178.23 1sds h LEU 108 N 0.82 0.84 -1.14 2.57 5.85 -0.82 -1.74 115.31 121.69 1sds h LEU 108 Ca 0.14 -0.29 -0.04 0.00 0.84 0.00 0.00 57.88 58.53 1sds h LEU 108 Cb 0.61 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.39 1sds h LEU 108 CO 0.04 0.92 0.18 0.40 -0.34 0.00 0.00 178.44 179.65 1sds h ILE 109 N 0.74 1.21 -0.45 4.05 2.04 -0.75 -1.47 117.51 122.87 1sds h ILE 109 Ca 0.15 -0.69 -0.14 0.00 1.00 0.00 0.00 64.86 65.18 1sds h ILE 109 Cb 0.47 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 37.14 1sds h ILE 109 CO 0.02 0.26 -0.27 -0.08 0.00 0.00 0.00 178.15 178.08 1sds h GLU 110 N 0.78 0.98 -0.67 2.37 4.22 -1.10 -0.50 114.58 120.66 1sds h GLU 110 Ca 0.18 -0.45 -0.02 0.00 0.08 0.00 0.00 59.36 59.16 1sds h GLU 110 Cb 0.20 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.41 1sds h GLU 110 CO -0.01 1.12 0.35 0.87 -2.18 0.00 0.00 179.01 179.16 1sds h LYS 111 N 0.82 0.92 -0.27 1.92 1.57 -0.84 -2.15 116.57 118.54 1sds h LYS 111 Ca 0.09 -0.10 -0.13 0.00 -1.87 0.00 0.00 60.65 58.64 1sds h LYS 111 Cb 0.86 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 32.98 1sds h LYS 111 CO 0.08 0.69 -0.34 0.28 -0.57 0.00 0.00 179.45 179.58 1sds h VAL 112 N 0.93 1.30 0.00 0.50 2.07 -0.98 -2.81 116.25 117.26 1sds h VAL 112 Ca 0.24 -1.53 -0.00 0.00 0.82 0.00 0.00 66.70 66.23 1sds h VAL 112 Cb 0.04 1.64 -0.00 0.00 -1.52 0.00 0.00 31.29 31.45 1sds h VAL 112 CO -0.04 0.49 -0.02 0.78 0.02 0.00 0.00 177.57 178.80 1sds h ASN 113 N 0.46 0.00 0.07 0.57 2.35 -0.58 -0.83 115.58 117.62 1sds h ASN 113 Ca 0.04 0.00 -0.17 0.00 -0.55 0.00 0.00 56.30 55.62 1sds h ASN 113 Cb 0.93 0.00 0.02 0.00 0.05 0.00 0.00 38.32 39.31 1sds h ASN 113 CO 0.08 0.02 -0.71 0.58 -1.65 0.00 0.00 177.43 175.75 1sds h VAL 114 N 0.00 1.48 0.00 2.81 2.07 -1.25 -3.10 116.25 118.26 1sds h VAL 114 Ca -0.00 -2.32 -0.01 0.00 0.82 0.00 0.00 66.70 65.20 1sds h VAL 114 Cb 0.06 2.92 -0.00 0.00 -1.52 0.00 0.00 31.29 32.75 1sds h VAL 114 CO 0.00 0.66 -0.03 -0.07 0.02 0.00 0.00 177.57 178.16 1sds h LEU 115 N -0.25 0.00 0.00 2.57 3.38 -1.09 -3.52 115.31 116.40 1sds h LEU 115 Ca -0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1sds h LEU 115 Cb 1.48 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.23 1sds h LEU 115 CO 0.14 0.03 0.00 1.17 0.09 0.00 0.00 178.44 179.86