#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sds s LYS 8 N 0.00 3.78 -0.09 3.97 0.00 -1.26 -4.87 119.74 121.28 1sds s LYS 8 Ca 0.00 -0.27 -0.01 0.00 0.00 0.00 0.00 55.97 55.69 1sds s LYS 8 Cb 0.00 -3.21 -0.03 0.00 0.00 0.00 0.00 37.83 34.59 1sds s LYS 8 CO 0.00 0.46 -0.03 0.08 0.00 0.00 0.00 175.35 175.86 1sds s VAL 9 N -0.13 4.01 0.34 1.79 1.01 -1.26 -5.06 120.40 121.10 1sds s VAL 9 Ca 0.08 -0.35 -0.28 0.00 0.00 0.00 0.00 61.98 61.43 1sds s VAL 9 Cb -0.12 -2.68 -0.10 0.00 0.00 0.00 0.00 36.38 33.49 1sds s VAL 9 CO 0.01 0.59 1.24 -2.16 0.00 0.00 0.00 175.10 174.78 1sds s PRO 10 N -0.70 4.32 0.44 2.72 0.04 -1.26 -4.81 135.00 135.76 1sds s PRO 10 Ca 0.11 2.07 0.25 0.00 0.04 0.00 0.00 61.00 63.46 1sds s PRO 10 Cb -0.12 -3.00 1.26 0.00 0.04 0.00 0.00 34.50 32.69 1sds s PRO 10 CO 0.02 -0.16 1.75 0.93 0.04 0.00 0.00 177.00 179.58 1sds h GLU 11 N 3.27 0.24 -0.67 4.56 3.07 -1.98 0.34 114.58 123.40 1sds h GLU 11 Ca -0.49 -0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 58.35 1sds h GLU 11 Cb 1.23 -0.05 -0.03 0.00 -0.84 0.00 0.00 28.75 29.05 1sds h GLU 11 CO 0.65 0.16 0.40 0.93 -1.40 0.00 0.00 179.01 179.75 1sds h GLU 12 N 0.25 0.92 -0.11 2.33 3.07 -2.00 -1.22 114.58 117.83 1sds h GLU 12 Ca 0.62 -0.09 -0.22 0.00 -0.50 0.00 0.00 59.36 59.18 1sds h GLU 12 Cb 1.87 -0.19 0.01 0.00 -0.84 0.00 0.00 28.75 29.60 1sds h GLU 12 CO -0.25 0.66 -0.78 0.82 -1.40 0.00 0.00 179.01 178.07 1sds h ILE 13 N 0.92 1.30 -0.51 3.13 1.08 -0.76 -3.02 117.51 119.65 1sds h ILE 13 Ca 0.24 -2.00 0.06 0.00 -0.39 0.00 0.00 64.86 62.77 1sds h ILE 13 Cb -0.02 2.12 -0.05 0.00 -3.07 0.00 0.00 36.82 35.80 1sds h ILE 13 CO -0.04 0.63 0.20 1.56 -0.69 0.00 0.00 178.15 179.80 1sds h GLN 14 N 0.41 0.39 -0.74 2.37 4.20 -0.96 0.35 115.11 121.13 1sds h GLN 14 Ca -0.07 -0.02 0.08 0.00 0.06 0.00 0.00 58.65 58.70 1sds h GLN 14 Cb 1.42 -0.09 -0.05 0.00 0.30 0.00 0.00 27.48 29.06 1sds h GLN 14 CO 0.16 0.26 0.49 0.87 -0.67 0.00 0.00 178.83 179.93 1sds h LYS 15 N 0.40 0.70 -0.11 1.46 1.57 -1.25 0.19 116.57 119.53 1sds h LYS 15 Ca 0.24 -0.04 -0.15 0.00 -1.87 0.00 0.00 60.65 58.82 1sds h LYS 15 Cb 0.23 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 1sds h LYS 15 CO -0.22 0.46 -0.60 1.49 -0.57 0.00 0.00 179.45 180.01 1sds h GLU 16 N 0.72 0.37 -0.17 3.15 4.81 -0.67 -0.49 114.58 122.30 1sds h GLU 16 Ca 0.33 -0.25 -0.04 0.00 -0.13 0.00 0.00 59.36 59.27 1sds h GLU 16 Cb 0.35 0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.76 1sds h GLU 16 CO -0.12 0.86 -0.06 -0.07 -0.73 0.00 0.00 179.01 178.89 1sds h LEU 17 N 0.28 0.34 -0.81 1.64 3.38 0.17 0.91 115.31 121.23 1sds h LEU 17 Ca -0.00 -0.39 -0.04 0.00 0.09 0.00 0.00 57.88 57.53 1sds h LEU 17 Cb 1.12 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.74 1sds h LEU 17 CO 0.10 0.65 0.33 -0.07 0.09 0.00 0.00 178.44 179.55 1sds h LEU 18 N 0.03 1.11 -0.97 1.67 3.38 -0.67 -1.73 115.31 118.13 1sds h LEU 18 Ca 0.04 -0.17 -0.08 0.00 0.09 0.00 0.00 57.88 57.76 1sds h LEU 18 Cb 0.51 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 1sds h LEU 18 CO 0.02 0.97 -0.12 0.44 0.09 0.00 0.00 178.44 179.85 1sds h ASP 19 N 1.17 0.60 -0.67 -0.43 3.45 -0.95 -2.18 116.42 117.41 1sds h ASP 19 Ca 0.27 -0.16 -0.06 0.00 0.43 0.00 0.00 57.03 57.50 1sds h ASP 19 Cb 0.21 -0.16 -0.03 0.00 -0.56 0.00 0.00 39.33 38.79 1sds h ASP 19 CO -0.02 0.75 0.18 0.00 -1.57 0.00 0.00 179.24 178.57 1sds h ALA 20 N 1.31 1.02 -0.34 3.45 0.00 -0.07 -2.51 119.26 122.12 1sds h ALA 20 Ca 0.10 -0.24 -0.14 0.00 0.00 0.00 0.00 54.91 54.63 1sds h ALA 20 Cb 0.53 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1sds h ALA 20 CO 0.03 0.65 -0.36 0.28 0.00 0.00 0.00 179.25 179.85 1sds h VAL 21 N 1.03 1.28 -0.67 0.00 2.07 -1.06 -2.42 116.25 116.49 1sds h VAL 21 Ca 0.22 -1.52 -0.04 0.00 0.82 0.00 0.00 66.70 66.18 1sds h VAL 21 Cb 0.34 1.39 -0.03 0.00 -1.52 0.00 0.00 31.29 31.48 1sds h VAL 21 CO -0.00 0.50 0.25 0.00 0.02 0.00 0.00 177.57 178.34 1sds h ALA 22 N 0.94 1.18 0.00 1.67 0.00 -1.10 -2.99 119.26 118.96 1sds h ALA 22 Ca 0.06 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1sds h ALA 22 Cb 0.90 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1sds h ALA 22 CO 0.08 0.59 -0.58 0.36 0.00 0.00 0.00 179.25 179.70 1sds n LYS 23 N -4.29 0.02 -1.63 0.00 2.85 -0.97 -4.95 118.16 109.19 1sds n LYS 23 Ca 0.06 0.00 -0.40 0.00 -1.05 0.00 0.00 58.31 56.92 1sds n LYS 23 Cb 0.19 -1.51 0.02 0.00 -0.65 0.00 0.00 35.03 33.08 1sds n LYS 23 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1sds n ALA 24 N -1.52 0.44 0.08 0.58 0.00 -0.92 -3.86 120.51 115.31 1sds n ALA 24 Ca 0.05 0.17 -0.19 0.00 0.00 0.00 0.00 53.44 53.48 1sds n ALA 24 Cb 0.34 -2.13 -0.10 0.00 0.00 0.00 0.00 19.45 17.56 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 1.37 0.52 -3.29 0.00 4.20 0.17 -3.45 115.11 114.62 1sds h GLN 25 Ca -0.46 -0.66 -0.21 0.00 0.06 0.00 0.00 58.65 57.37 1sds h GLN 25 Cb 1.33 0.21 -0.29 0.00 0.30 0.00 0.00 27.48 29.04 1sds h GLN 25 CO 0.56 1.27 -0.56 0.21 -0.67 0.00 0.00 178.83 179.65 1sds s LYS 26 N -3.05 0.15 0.26 1.46 2.20 -1.02 -4.94 119.74 114.80 1sds s LYS 26 Ca -0.08 0.30 -0.02 0.00 -0.36 0.00 0.00 55.97 55.81 1sds s LYS 26 Cb 0.07 -0.03 -0.02 0.00 -1.51 0.00 0.00 37.83 36.34 1sds s LYS 26 CO 0.91 -0.09 0.28 0.96 -0.36 0.00 0.00 175.35 177.05 1sds s ILE 27 N 0.58 0.00 -0.05 5.43 -4.36 -1.26 -0.13 121.20 121.41 1sds s ILE 27 Ca -0.04 -1.82 0.04 0.00 -0.26 0.00 0.00 60.65 58.57 1sds s ILE 27 Cb -0.06 -2.46 -0.00 0.00 1.25 0.00 0.00 42.46 41.19 1sds s ILE 27 CO -0.03 0.00 -0.18 -0.54 0.24 0.00 0.00 174.94 174.43 1sds s LYS 28 N -3.82 1.97 -0.12 0.37 -0.14 0.00 -4.88 119.74 113.12 1sds s LYS 28 Ca 0.35 -0.63 0.03 0.00 -1.36 0.00 0.00 55.97 54.36 1sds s LYS 28 Cb 0.03 -1.66 0.00 0.00 -1.68 0.00 0.00 37.83 34.53 1sds s LYS 28 CO 0.16 0.22 -0.23 0.15 -0.76 0.00 0.00 175.35 174.88 1sds s LYS 29 N 0.15 3.01 0.00 1.68 1.02 -1.26 -1.30 119.74 123.03 1sds s LYS 29 Ca -0.07 -0.86 0.00 0.00 0.02 0.00 0.00 55.97 55.06 1sds s LYS 29 Cb -0.13 -2.34 0.00 0.00 -0.52 0.00 0.00 37.83 34.84 1sds s LYS 29 CO 0.03 0.09 0.00 0.41 -0.92 0.00 0.00 175.35 174.96 1sds n GLY 30 N 3.77 2.95 0.30 -3.33 0.00 -0.95 -4.64 105.19 103.30 1sds n GLY 30 Ca -0.19 -1.62 0.05 0.00 0.00 0.00 0.00 46.02 44.26 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 1.21 -0.26 4.61 0.00 -1.94 0.65 119.26 123.52 1sds h ALA 31 Ca 0.00 0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 1sds h ALA 31 Cb 0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1sds h ALA 31 CO 0.00 -0.05 -0.02 -0.97 0.00 0.00 0.00 179.25 178.21 1sds h ASN 32 N 0.65 0.47 0.13 0.00 -1.24 -1.96 -1.23 115.58 112.40 1sds h ASN 32 Ca 0.43 -0.33 -0.17 0.00 0.71 0.00 0.00 56.30 56.94 1sds h ASN 32 Cb 0.56 -0.13 -0.01 0.00 0.73 0.00 0.00 38.32 39.47 1sds h ASN 32 CO -0.33 0.69 -0.63 -0.33 -1.29 0.00 0.00 177.43 175.54 1sds h GLU 33 N 0.25 0.49 -0.24 6.67 5.08 -1.75 -2.44 114.58 122.64 1sds h GLU 33 Ca 0.07 -0.35 -0.02 0.00 -1.00 0.00 0.00 59.36 58.06 1sds h GLU 33 Cb 0.46 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 1sds h GLU 33 CO 0.02 0.96 0.05 0.28 -1.00 0.00 0.00 179.01 179.32 1sds h VAL 34 N 0.36 1.21 -0.94 3.13 2.07 -0.86 -0.36 116.25 120.86 1sds h VAL 34 Ca -0.01 -0.70 0.03 0.00 0.82 0.00 0.00 66.70 66.84 1sds h VAL 34 Cb 1.19 1.23 -0.06 0.00 -1.52 0.00 0.00 31.29 32.13 1sds h VAL 34 CO 0.11 0.22 0.61 0.74 0.02 0.00 0.00 177.57 179.28 1sds h THR 35 N 0.20 1.16 -0.57 2.57 2.02 -1.21 -0.97 112.91 116.12 1sds h THR 35 Ca 0.07 -0.41 -0.10 0.00 0.77 0.00 0.00 66.41 66.74 1sds h THR 35 Cb 0.29 -0.13 -0.02 0.00 -1.74 0.00 0.00 68.15 66.55 1sds h THR 35 CO 0.00 0.22 -0.04 0.11 0.37 0.00 0.00 175.52 176.18 1sds h LYS 36 N 1.19 1.01 -0.51 6.66 1.57 -1.18 -0.08 116.57 125.22 1sds h LYS 36 Ca 0.37 -0.34 -0.03 0.00 -1.87 0.00 0.00 60.65 58.78 1sds h LYS 36 Cb -0.00 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.20 1sds h LYS 36 CO -0.12 1.02 0.18 0.00 -0.57 0.00 0.00 179.45 179.96 1sds h ALA 37 N 1.02 1.35 -0.01 3.86 0.00 -0.19 -0.08 119.26 125.20 1sds h ALA 37 Ca 0.16 -0.16 -0.20 0.00 0.00 0.00 0.00 54.91 54.71 1sds h ALA 37 Cb 0.59 -0.21 0.02 0.00 0.00 0.00 0.00 17.79 18.19 1sds h ALA 37 CO 0.04 0.48 -0.79 0.28 0.00 0.00 0.00 179.25 179.26 1sds h VAL 38 N 0.74 1.36 0.00 0.00 2.07 -0.90 -0.83 116.25 118.69 1sds h VAL 38 Ca 0.17 -2.13 -0.04 0.00 0.82 0.00 0.00 66.70 65.52 1sds h VAL 38 Cb 0.19 2.46 -0.01 0.00 -1.52 0.00 0.00 31.29 32.42 1sds h VAL 38 CO -0.01 0.64 -0.19 -0.33 0.02 0.00 0.00 177.57 177.70 1sds h GLU 39 N 0.14 0.00 0.00 1.57 5.08 -0.73 -1.45 114.58 119.19 1sds h GLU 39 Ca -0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 1sds h GLU 39 Cb 1.47 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.72 1sds h GLU 39 CO 0.16 0.19 -0.56 0.54 -1.00 0.00 0.00 179.01 178.33 1sds n ARG 40 N -4.18 0.02 -1.16 2.33 1.74 -0.07 -4.96 116.66 110.37 1sds n ARG 40 Ca -0.02 0.00 -0.06 0.00 -0.77 0.00 0.00 57.85 57.00 1sds n ARG 40 Cb 0.25 -1.51 -0.02 0.00 -1.02 0.00 0.00 32.46 30.16 1sds n ARG 40 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1sds n GLY 41 N 1.49 0.78 0.39 -0.13 0.00 -0.55 -4.89 105.19 102.29 1sds n GLY 41 Ca 0.05 -0.47 0.13 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.72 0.00 -2.99 -0.61 -5.35 -0.41 -4.85 119.36 102.43 1sds n ILE 42 Ca -0.06 -0.20 -0.41 0.00 -0.27 0.00 0.00 62.75 61.82 1sds n ILE 42 Cb 0.24 0.55 -0.05 0.00 -1.74 0.00 0.00 39.64 38.65 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 -2.28 3.44 -0.13 -1.28 0.00 -1.03 -4.61 121.76 115.87 1sds s ALA 43 Ca 0.29 0.03 -0.08 0.00 0.00 0.00 0.00 51.96 52.21 1sds s ALA 43 Cb 0.20 -3.08 -0.26 0.00 0.00 0.00 0.00 23.12 19.98 1sds s ALA 43 CO 0.44 -0.41 0.34 1.63 0.00 0.00 0.00 175.76 177.77 1sds n LYS 44 N 4.59 0.75 -3.78 0.00 5.02 -0.61 -4.89 118.16 119.23 1sds n LYS 44 Ca 0.01 0.28 -0.13 0.00 -2.02 0.00 0.00 58.31 56.45 1sds n LYS 44 Cb 0.50 -1.71 -0.13 0.00 -0.02 0.00 0.00 35.03 33.67 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 -7.09 1.07 -0.17 -0.35 2.96 -1.23 -3.95 118.68 109.92 1sds s LEU 45 Ca -0.23 0.30 -0.01 0.00 -0.22 0.00 0.00 54.13 53.97 1sds s LEU 45 Cb 0.07 0.44 -0.01 0.00 0.50 0.00 0.00 46.19 47.19 1sds s LEU 45 CO 0.75 -0.10 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.88 1sds s VAL 46 N 0.64 2.94 -0.16 1.68 1.01 -0.16 -0.92 120.40 125.42 1sds s VAL 46 Ca -0.05 -0.67 -0.04 0.00 0.00 0.00 0.00 61.98 61.22 1sds s VAL 46 Cb -0.06 -2.27 -0.03 0.00 0.00 0.00 0.00 36.38 34.02 1sds s VAL 46 CO -0.03 0.50 -0.02 -0.63 0.00 0.00 0.00 175.10 174.92 1sds s ILE 47 N 0.88 4.08 -0.05 2.22 1.09 0.28 -1.27 121.20 128.43 1sds s ILE 47 Ca -0.03 -0.29 0.06 0.00 -1.10 0.00 0.00 60.65 59.29 1sds s ILE 47 Cb -0.15 -2.80 -0.01 0.00 -1.06 0.00 0.00 42.46 38.44 1sds s ILE 47 CO -0.00 0.49 -0.23 -0.63 -0.10 0.00 0.00 174.94 174.47 1sds s ILE 48 N 0.37 1.88 0.31 2.92 1.01 0.47 -1.05 121.20 127.10 1sds s ILE 48 Ca -0.03 -0.97 -0.27 0.00 0.00 0.00 0.00 60.65 59.38 1sds s ILE 48 Cb -0.14 -1.59 -0.09 0.00 0.01 0.00 0.00 42.46 40.65 1sds s ILE 48 CO 0.02 0.53 1.00 0.00 0.00 0.00 0.00 174.94 176.49 1sds s ALA 49 N -0.11 3.26 -0.37 9.38 0.00 -0.35 -0.60 121.76 132.96 1sds s ALA 49 Ca -0.03 0.67 0.23 0.00 0.00 0.00 0.00 51.96 52.83 1sds s ALA 49 Cb -0.13 -3.24 0.17 0.00 0.00 0.00 0.00 23.12 19.91 1sds s ALA 49 CO 0.03 0.02 1.25 0.93 0.00 0.00 0.00 175.76 177.99 1sds h GLU 50 N 3.43 0.00 -0.85 0.00 5.08 -0.85 -3.36 114.58 118.03 1sds h GLU 50 Ca -0.47 0.00 -0.41 0.00 -1.00 0.00 0.00 59.36 57.48 1sds h GLU 50 Cb 1.20 0.00 -0.25 0.00 0.50 0.00 0.00 28.75 30.21 1sds h GLU 50 CO 0.66 0.00 0.48 -0.40 -1.00 0.00 0.00 179.01 178.74 1sds n ASP 51 N -2.66 3.72 -4.68 1.42 5.75 -1.24 -4.96 116.55 113.90 1sds n ASP 51 Ca 0.02 -3.57 -0.42 0.00 -0.01 0.00 0.00 54.79 50.80 1sds n ASP 51 Cb 0.52 -0.79 -0.03 0.00 -1.03 0.00 0.00 41.12 39.80 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 -3.24 4.23 -0.07 2.12 1.01 -1.26 -4.91 120.40 118.28 1sds s VAL 52 Ca 0.55 1.53 -0.01 0.00 0.00 0.00 0.00 61.98 64.05 1sds s VAL 52 Cb 0.46 -3.99 0.03 0.00 0.00 0.00 0.00 36.38 32.88 1sds s VAL 52 CO 0.10 -0.05 -0.01 -0.54 0.00 0.00 0.00 175.10 174.60 1sds s LYS 53 N 2.65 0.73 0.33 2.72 3.01 -1.26 -2.06 119.74 125.87 1sds s LYS 53 Ca 0.56 0.04 -0.28 0.00 -1.01 0.00 0.00 55.97 55.28 1sds s LYS 53 Cb -0.24 -1.02 -0.10 0.00 -1.01 0.00 0.00 37.83 35.46 1sds s LYS 53 CO 0.20 -0.27 1.23 -1.25 0.51 0.00 0.00 175.35 175.77 1sds s PRO 54 N 1.80 4.36 0.63 -1.68 0.04 -1.26 -5.07 135.00 133.83 1sds s PRO 54 Ca 0.03 2.05 0.42 0.00 0.04 0.00 0.00 61.00 63.53 1sds s PRO 54 Cb -0.13 -3.02 2.15 0.00 0.04 0.00 0.00 34.50 33.54 1sds s PRO 54 CO -0.05 -0.12 2.26 1.05 0.04 0.00 0.00 177.00 180.18 1sds h GLU 55 N 3.34 0.00 -0.59 4.56 9.09 -1.82 -2.58 114.58 126.58 1sds h GLU 55 Ca -0.48 0.00 0.17 0.00 0.05 0.00 0.00 59.36 59.10 1sds h GLU 55 Cb 1.22 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 28.30 1sds h GLU 55 CO 0.65 0.00 0.46 0.93 0.05 0.00 0.00 179.01 181.10 1sds h GLU 56 N 0.00 0.00 -0.95 1.06 3.07 -1.98 -1.54 114.58 114.24 1sds h GLU 56 Ca 0.00 0.00 0.11 0.00 -0.50 0.00 0.00 59.36 58.97 1sds h GLU 56 Cb 0.13 0.00 -0.07 0.00 -0.84 0.00 0.00 28.75 27.96 1sds h GLU 56 CO 0.00 0.00 0.61 0.28 -1.40 0.00 0.00 179.01 178.50 1sds h VAL 57 N 0.00 0.94 -0.04 3.13 2.07 -1.83 -3.05 116.25 117.47 1sds h VAL 57 Ca 0.28 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.48 1sds h VAL 57 Cb 1.19 -0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.89 1sds h VAL 57 CO -0.00 0.17 0.00 1.33 0.02 0.00 0.00 177.57 179.09 1sds n VAL 58 N -4.57 0.74 0.33 2.57 0.24 -0.69 -4.72 118.33 112.23 1sds n VAL 58 Ca 0.17 -0.87 0.22 0.00 -2.04 0.00 0.00 64.34 61.82 1sds n VAL 58 Cb 0.34 0.64 1.18 0.00 -1.47 0.00 0.00 33.84 34.53 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 0.29 1.06 0.00 2.33 0.00 -1.20 -2.26 119.26 119.48 1sds h ALA 59 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1sds h ALA 59 Cb 0.41 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1sds h ALA 59 CO 0.00 0.00 -0.59 1.12 0.00 0.00 0.00 179.25 179.78 1sds h HIS 60 N 0.00 0.00 -0.06 0.00 2.07 -1.85 -3.40 115.15 111.92 1sds h HIS 60 Ca -0.00 0.00 0.01 0.00 -2.85 0.00 0.00 60.37 57.53 1sds h HIS 60 Cb 0.02 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 29.99 1sds h HIS 60 CO 0.00 0.00 0.02 -0.07 -3.07 0.00 0.00 177.93 174.81 1sds h LEU 61 N 0.00 0.01 -0.49 6.12 3.38 -1.76 -2.23 115.31 120.34 1sds h LEU 61 Ca 0.00 0.01 0.09 0.00 0.09 0.00 0.00 57.88 58.06 1sds h LEU 61 Cb 0.93 0.01 -0.07 0.00 0.09 0.00 0.00 40.66 41.62 1sds h LEU 61 CO 0.00 0.02 0.09 -0.65 0.09 0.00 0.00 178.44 177.99 1sds h PRO 62 N 0.04 0.22 -0.71 1.13 0.11 -1.77 -0.03 132.00 130.99 1sds h PRO 62 Ca 0.02 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 66.06 1sds h PRO 62 Cb 0.01 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 31.05 1sds h PRO 62 CO -0.03 0.14 0.22 1.88 -0.21 0.00 0.00 178.00 180.01 1sds h TYR 63 N 0.22 1.15 -0.41 0.65 -1.99 -1.80 -2.58 116.97 112.21 1sds h TYR 63 Ca 0.25 -0.12 -0.09 0.00 2.00 0.00 0.00 58.73 60.77 1sds h TYR 63 Cb 0.34 -0.33 -0.01 0.00 2.00 0.00 0.00 36.73 38.72 1sds h TYR 63 CO -0.23 0.91 -0.11 1.25 -0.00 0.00 0.00 178.16 179.98 1sds h LEU 64 N 1.05 0.80 0.16 3.88 5.85 -0.81 -2.40 115.31 123.84 1sds h LEU 64 Ca 0.23 -0.37 -0.01 0.00 0.84 0.00 0.00 57.88 58.58 1sds h LEU 64 Cb 0.30 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.12 1sds h LEU 64 CO -0.01 0.98 -0.08 0.00 -0.34 0.00 0.00 178.44 179.00 1sds h GLU 66 N -0.30 0.71 -0.58 0.00 4.39 -1.49 0.83 114.58 118.14 1sds h GLU 66 Ca -0.02 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.63 1sds h GLU 66 Cb 0.24 -0.16 -0.03 0.00 -0.10 0.00 0.00 28.75 28.70 1sds h GLU 66 CO 0.04 0.47 0.32 1.49 -1.16 0.00 0.00 179.01 180.16 1sds h GLU 67 N 0.73 0.79 -0.02 2.33 4.81 -1.16 -1.29 114.58 120.77 1sds h GLU 67 Ca 0.37 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.52 1sds h GLU 67 Cb 0.32 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.54 1sds h GLU 67 CO -0.24 0.58 -0.11 1.63 -0.73 0.00 0.00 179.01 180.15 1sds n LYS 68 N -4.40 1.63 -3.01 1.92 4.76 -0.29 -4.97 118.16 113.81 1sds n LYS 68 Ca 0.05 -1.14 -0.12 0.00 -2.87 0.00 0.00 58.31 54.23 1sds n LYS 68 Cb 0.09 -1.48 0.06 0.00 -1.84 0.00 0.00 35.03 31.87 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 1.28 -0.29 3.17 0.72 0.00 0.26 -5.04 105.19 105.30 1sds n GLY 69 Ca 0.15 0.06 -0.28 0.00 0.00 0.00 0.00 46.02 45.95 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 -3.28 1.65 0.48 -0.61 1.01 0.23 -4.99 121.20 115.70 1sds s ILE 70 Ca 0.09 -0.82 -0.23 0.00 0.00 0.00 0.00 60.65 59.68 1sds s ILE 70 Cb -0.01 -1.42 -0.07 0.00 0.01 0.00 0.00 42.46 40.97 1sds s ILE 70 CO 0.55 0.47 1.31 -2.84 0.00 0.00 0.00 174.94 174.43 1sds s PRO 71 N 0.13 3.52 -0.13 2.79 0.02 -1.25 -4.30 135.00 135.77 1sds s PRO 71 Ca -0.08 2.14 -0.24 0.00 0.02 0.00 0.00 61.00 62.85 1sds s PRO 71 Cb -0.14 -2.45 0.06 0.00 0.02 0.00 0.00 34.50 31.99 1sds s PRO 71 CO 0.04 -0.85 0.59 1.52 -0.33 0.00 0.00 177.00 177.96 1sds s TYR 72 N -1.33 -0.59 0.25 6.54 -0.85 -1.26 -0.99 117.35 119.12 1sds s TYR 72 Ca 0.65 1.24 -0.02 0.00 -0.52 0.00 0.00 57.07 58.42 1sds s TYR 72 Cb -0.38 0.27 -0.03 0.00 0.38 0.00 0.00 41.96 42.21 1sds s TYR 72 CO 0.46 -0.43 0.27 0.00 -1.52 0.00 0.00 175.55 174.33 1sds s ALA 73 N -0.46 0.92 0.19 9.51 0.00 -0.39 -4.96 121.76 126.56 1sds s ALA 73 Ca -0.06 -1.56 0.10 0.00 0.00 0.00 0.00 51.96 50.44 1sds s ALA 73 Cb -0.03 1.31 -0.04 0.00 0.00 0.00 0.00 23.12 24.35 1sds s ALA 73 CO 0.05 -0.68 -0.17 0.71 0.00 0.00 0.00 175.76 175.66 1sds s TYR 74 N -3.88 2.45 0.04 0.00 1.51 -1.26 -0.40 117.35 115.82 1sds s TYR 74 Ca 0.35 -0.29 0.05 0.00 -1.01 0.00 0.00 57.07 56.16 1sds s TYR 74 Cb 0.04 -1.21 -0.02 0.00 -0.11 0.00 0.00 41.96 40.66 1sds s TYR 74 CO 0.15 0.51 -0.14 0.14 -1.11 0.00 0.00 175.55 175.10 1sds s VAL 75 N -1.70 1.10 0.23 0.71 -7.23 0.23 -4.77 120.40 108.97 1sds s VAL 75 Ca 0.23 -1.03 -0.08 0.00 -1.81 0.00 0.00 61.98 59.30 1sds s VAL 75 Cb -0.08 -1.01 0.21 0.00 0.56 0.00 0.00 36.38 36.06 1sds s VAL 75 CO 0.12 -0.02 1.90 0.00 -0.31 0.00 0.00 175.10 176.80 1sds h ALA 76 N 4.87 1.14 -3.27 1.32 0.00 -1.96 0.14 119.26 121.51 1sds h ALA 76 Ca -0.38 -0.06 -0.66 0.00 0.00 0.00 0.00 54.91 53.81 1sds h ALA 76 Cb 1.18 -0.35 -0.28 0.00 0.00 0.00 0.00 17.79 18.35 1sds h ALA 76 CO 0.43 0.51 -0.77 0.45 0.00 0.00 0.00 179.25 179.87 1sds s SER 77 N -5.98 3.93 0.34 0.00 0.15 -1.26 -3.66 113.70 107.21 1sds s SER 77 Ca -0.13 -0.37 0.17 0.00 0.70 0.00 0.00 55.95 56.33 1sds s SER 77 Cb 0.17 -1.60 0.50 0.00 -1.71 0.00 0.00 66.02 63.38 1sds s SER 77 CO 0.80 0.14 1.65 0.07 1.20 0.00 0.00 173.24 177.10 1sds h LYS 78 N 6.92 0.00 -0.26 5.44 2.10 -1.84 0.42 116.57 129.34 1sds h LYS 78 Ca -0.28 0.00 -0.19 0.00 -2.00 0.00 0.00 60.65 58.18 1sds h LYS 78 Cb 1.21 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.54 1sds h LYS 78 CO 0.56 0.43 -0.60 0.37 -2.00 0.00 0.00 179.45 178.21 1sds h GLN 79 N 0.00 0.86 -0.39 0.07 5.75 -1.91 -0.59 115.11 118.90 1sds h GLN 79 Ca -0.00 -0.58 -0.15 0.00 -0.15 0.00 0.00 58.65 57.77 1sds h GLN 79 Cb 1.05 0.08 -0.01 0.00 1.07 0.00 0.00 27.48 29.67 1sds h GLN 79 CO 0.06 1.20 -0.33 0.22 -2.65 0.00 0.00 178.83 177.33 1sds h ASP 80 N 0.64 0.96 -0.67 -0.69 -0.00 -1.86 -2.41 116.42 112.39 1sds h ASP 80 Ca -0.00 -0.45 -0.06 0.00 -0.00 0.00 0.00 57.03 56.52 1sds h ASP 80 Cb 1.21 -0.27 -0.03 0.00 -0.00 0.00 0.00 39.33 40.24 1sds h ASP 80 CO 0.13 1.21 0.19 0.25 -0.00 0.00 0.00 179.24 181.03 1sds h LEU 81 N 0.72 1.00 -0.60 2.28 5.85 -0.83 -1.81 115.31 121.91 1sds h LEU 81 Ca 0.07 -0.19 -0.09 0.00 0.84 0.00 0.00 57.88 58.50 1sds h LEU 81 Cb 0.92 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.67 1sds h LEU 81 CO 0.09 0.95 0.02 1.23 -0.34 0.00 0.00 178.44 180.38 1sds h GLY 82 N 1.08 1.13 1.02 3.75 0.00 -1.06 -2.46 103.07 106.53 1sds h GLY 82 Ca 0.22 -0.82 -0.06 0.00 0.00 0.00 0.00 47.33 46.67 1sds h GLY 82 CO -0.00 0.75 0.15 0.50 0.00 0.00 0.00 176.54 177.94 1sds h LYS 83 N 0.95 0.96 0.00 4.80 6.56 -1.17 -0.86 116.57 127.81 1sds h LYS 83 Ca 0.17 -0.23 0.00 0.00 -1.06 0.00 0.00 60.65 59.53 1sds h LYS 83 Cb 0.53 -0.13 0.00 0.00 -0.57 0.00 0.00 32.23 32.07 1sds h LYS 83 CO 0.03 0.88 0.00 0.00 -2.06 0.00 0.00 179.45 178.29 1sds h ALA 84 N 1.04 1.00 -0.22 3.86 0.00 -1.19 -0.99 119.26 122.77 1sds h ALA 84 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1sds h ALA 84 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1sds h ALA 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.25 1sds n ALA 85 N -2.06 2.49 -0.73 0.00 0.00 -0.67 -3.28 120.51 116.27 1sds n ALA 85 Ca -0.01 -0.65 0.00 0.00 0.00 0.00 0.00 53.44 52.78 1sds n ALA 85 Cb 0.19 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.61 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 1.23 0.62 3.97 0.00 0.00 -0.38 -5.05 105.19 105.58 1sds n GLY 86 Ca 0.17 -0.19 -0.21 0.00 0.00 0.00 0.00 46.02 45.78 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 4.30 0.00 0.99 1.43 -0.42 -4.99 118.68 120.00 1sds s LEU 87 Ca 0.00 0.10 0.25 0.00 -1.03 0.00 0.00 54.13 53.45 1sds s LEU 87 Cb 0.00 -2.89 0.42 0.00 0.03 0.00 0.00 46.19 43.75 1sds s LEU 87 CO 0.00 -0.08 1.37 -0.62 0.23 0.00 0.00 176.35 177.25 1sds n GLU 88 N -1.40 1.55 -4.65 1.70 4.71 -1.26 -3.95 120.64 117.34 1sds n GLU 88 Ca -0.09 -1.16 -0.30 0.00 -0.01 0.00 0.00 57.16 55.61 1sds n GLU 88 Cb 0.57 -1.48 -0.08 0.00 -1.01 0.00 0.00 31.44 29.44 1sds n GLU 88 CO 0.00 0.00 0.00 0.14 0.09 0.00 0.00 177.13 177.36 1sds s VAL 89 N -2.25 0.89 0.74 2.62 -7.23 -1.26 -5.01 120.40 108.90 1sds s VAL 89 Ca 0.26 -2.00 -0.11 0.00 -1.81 0.00 0.00 61.98 58.32 1sds s VAL 89 Cb 0.19 -2.24 0.03 0.00 0.56 0.00 0.00 36.38 34.93 1sds s VAL 89 CO 0.43 0.00 1.08 0.00 -0.31 0.00 0.00 175.10 176.31 1sds s ALA 90 N -3.02 2.58 -0.06 1.32 0.00 -1.26 -4.14 121.76 117.18 1sds s ALA 90 Ca 0.14 -0.18 -0.02 0.00 0.00 0.00 0.00 51.96 51.90 1sds s ALA 90 Cb 0.02 -3.10 0.04 0.00 0.00 0.00 0.00 23.12 20.08 1sds s ALA 90 CO 0.08 -1.38 0.11 0.00 0.00 0.00 0.00 175.76 174.57 1sds s ALA 91 N -3.19 -0.10 0.20 0.00 0.00 -0.58 -4.79 121.76 113.29 1sds s ALA 91 Ca 0.59 0.51 0.18 0.00 0.00 0.00 0.00 51.96 53.24 1sds s ALA 91 Cb -0.13 -0.53 0.70 0.00 0.00 0.00 0.00 23.12 23.16 1sds s ALA 91 CO 0.54 -0.30 1.75 0.66 0.00 0.00 0.00 175.76 178.40 1sds h SER 92 N 7.71 0.00 -4.76 0.00 4.64 -1.96 -3.39 113.55 115.79 1sds h SER 92 Ca -0.32 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 61.06 1sds h SER 92 Cb 1.13 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.07 1sds h SER 92 CO 0.32 0.37 0.38 -0.94 -0.87 0.00 0.00 176.83 176.09 1sds s SER 93 N -6.47 -0.46 0.00 4.97 1.04 -1.26 -1.21 113.70 110.31 1sds s SER 93 Ca -0.00 0.06 -0.08 0.00 0.48 0.00 0.00 55.95 56.41 1sds s SER 93 Cb 0.11 0.47 0.00 0.00 0.10 0.00 0.00 66.02 66.70 1sds s SER 93 CO 0.69 -0.73 0.15 -0.69 0.98 0.00 0.00 173.24 173.63 1sds s VAL 94 N -3.15 0.08 -0.11 5.02 1.01 -0.22 -2.24 120.40 120.80 1sds s VAL 94 Ca 0.02 -0.66 0.01 0.00 0.00 0.00 0.00 61.98 61.35 1sds s VAL 94 Cb -0.01 -0.44 0.02 0.00 0.00 0.00 0.00 36.38 35.95 1sds s VAL 94 CO -0.09 -0.36 -0.11 0.00 0.00 0.00 0.00 175.10 174.54 1sds s ALA 95 N -1.35 1.45 -0.21 5.51 0.00 -0.42 -0.56 121.76 126.18 1sds s ALA 95 Ca -0.14 -0.60 -0.28 0.00 0.00 0.00 0.00 51.96 50.94 1sds s ALA 95 Cb -0.07 -0.85 0.00 0.00 0.00 0.00 0.00 23.12 22.20 1sds s ALA 95 CO 0.02 -0.24 0.98 0.42 0.00 0.00 0.00 175.76 176.93 1sds s ILE 96 N 1.33 4.74 -0.20 0.00 1.01 -0.09 -0.82 121.20 127.17 1sds s ILE 96 Ca -0.01 1.91 0.06 0.00 0.00 0.00 0.00 60.65 62.61 1sds s ILE 96 Cb -0.14 -4.26 -0.21 0.00 0.01 0.00 0.00 42.46 37.86 1sds s ILE 96 CO -0.05 -0.12 0.03 -0.38 0.00 0.00 0.00 174.94 174.42 1sds n ILE 97 N 5.16 1.52 -3.63 2.92 2.08 0.81 -1.58 119.36 126.65 1sds n ILE 97 Ca 0.10 -0.68 -0.28 0.00 0.56 0.00 0.00 62.75 62.44 1sds n ILE 97 Cb 0.47 -1.18 -0.16 0.00 -0.75 0.00 0.00 39.64 38.02 1sds n ILE 97 CO 0.00 0.00 0.00 0.20 0.56 0.00 0.00 176.55 177.31 1sds s ASN 98 N -6.29 3.27 1.12 4.38 0.01 -0.39 -4.75 114.94 112.29 1sds s ASN 98 Ca -0.24 -1.13 -0.13 0.00 -0.71 0.00 0.00 52.86 50.66 1sds s ASN 98 Cb 0.08 -0.47 0.25 0.00 0.41 0.00 0.00 41.25 41.52 1sds s ASN 98 CO 0.71 -0.39 0.96 -1.84 -1.51 0.00 0.00 177.10 175.03 1sds n GLU 99 N 5.14 -1.98 -0.03 -0.60 0.28 -1.26 0.17 120.64 122.36 1sds n GLU 99 Ca -0.06 -0.54 -0.19 0.00 -0.16 0.00 0.00 57.16 56.21 1sds n GLU 99 Cb 0.44 -2.17 -0.14 0.00 1.43 0.00 0.00 31.44 31.00 1sds n GLU 99 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1sds n GLY 100 N 0.94 -0.58 2.57 -1.84 0.00 -1.25 -3.69 105.19 101.34 1sds n GLY 100 Ca 0.05 -0.23 -0.29 0.00 0.00 0.00 0.00 46.02 45.54 1sds n GLY 100 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1sds s ASP 101 N -6.76 3.34 0.27 1.61 -0.00 -1.26 -4.98 116.67 108.89 1sds s ASP 101 Ca -0.23 -2.10 -0.00 0.00 -0.00 0.00 0.00 52.55 50.22 1sds s ASP 101 Cb 0.07 -0.60 0.61 0.00 -0.00 0.00 0.00 42.92 43.00 1sds s ASP 101 CO 0.74 -0.33 1.37 0.00 -0.00 0.00 0.00 175.17 176.95 1sds n ALA 102 N 4.19 0.39 0.22 5.23 0.00 -1.26 -1.21 120.51 128.08 1sds n ALA 102 Ca 0.07 0.94 -0.16 0.00 0.00 0.00 0.00 53.44 54.29 1sds n ALA 102 Cb 0.38 -0.66 -0.08 0.00 0.00 0.00 0.00 19.45 19.09 1sds n ALA 102 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1sds h GLU 103 N 0.00 -0.77 -0.91 0.00 4.39 -2.00 -1.94 114.58 113.35 1sds h GLU 103 Ca 0.50 0.05 0.13 0.00 0.34 0.00 0.00 59.36 60.38 1sds h GLU 103 Cb 0.99 0.17 -0.09 0.00 -0.10 0.00 0.00 28.75 29.73 1sds h GLU 103 CO -0.84 -0.51 0.53 0.93 -1.16 0.00 0.00 179.01 177.96 1sds h GLU 104 N -0.80 0.79 0.52 2.33 5.08 -1.60 -2.18 114.58 118.73 1sds h GLU 104 Ca -0.03 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.26 1sds h GLU 104 Cb 0.73 -0.18 0.01 0.00 0.50 0.00 0.00 28.75 29.80 1sds h GLU 104 CO -0.10 0.52 -0.25 1.25 -1.00 0.00 0.00 179.01 179.44 1sds h LEU 105 N 0.82 -0.59 -1.14 1.33 5.85 -1.15 0.27 115.31 120.68 1sds h LEU 105 Ca 0.47 0.02 0.21 0.00 0.84 0.00 0.00 57.88 59.41 1sds h LEU 105 Cb 0.53 0.15 -0.10 0.00 0.37 0.00 0.00 40.66 41.62 1sds h LEU 105 CO -0.30 -0.42 0.62 0.11 -0.34 0.00 0.00 178.44 178.11 1sds h LYS 106 N -0.71 0.61 0.03 1.25 6.56 -0.94 0.35 116.57 123.73 1sds h LYS 106 Ca -0.07 -0.04 -0.00 0.00 -1.06 0.00 0.00 60.65 59.48 1sds h LYS 106 Cb 0.54 -0.14 0.00 0.00 -0.57 0.00 0.00 32.23 32.06 1sds h LYS 106 CO 0.12 0.41 -0.01 0.28 -2.06 0.00 0.00 179.45 178.18 1sds h VAL 107 N 0.63 1.36 -0.96 0.50 2.07 -0.97 -2.39 116.25 116.49 1sds h VAL 107 Ca 0.57 -1.26 0.08 0.00 0.82 0.00 0.00 66.70 66.92 1sds h VAL 107 Cb 1.07 2.19 -0.07 0.00 -1.52 0.00 0.00 31.29 32.96 1sds h VAL 107 CO -0.34 0.32 0.62 0.25 0.02 0.00 0.00 177.57 178.43 1sds h LEU 108 N -0.59 0.95 -0.54 2.57 5.85 0.82 -0.88 115.31 123.48 1sds h LEU 108 Ca -0.00 0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.69 1sds h LEU 108 Cb 0.55 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.37 1sds h LEU 108 CO 0.01 0.58 0.16 0.40 -0.34 0.00 0.00 178.44 179.25 1sds h ILE 109 N 1.06 1.24 -0.28 4.05 2.04 -0.36 -2.13 117.51 123.12 1sds h ILE 109 Ca 0.43 -0.82 -0.00 0.00 1.00 0.00 0.00 64.86 65.47 1sds h ILE 109 Cb 0.27 0.74 -0.01 0.00 -0.74 0.00 0.00 36.82 37.08 1sds h ILE 109 CO -0.18 0.30 0.16 -0.33 0.00 0.00 0.00 178.15 178.10 1sds h GLU 110 N 0.76 0.39 -0.75 2.37 5.08 -0.71 0.68 114.58 122.40 1sds h GLU 110 Ca 0.17 -0.04 0.05 0.00 -1.00 0.00 0.00 59.36 58.55 1sds h GLU 110 Cb 0.30 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.43 1sds h GLU 110 CO -0.00 0.32 0.50 0.87 -1.00 0.00 0.00 179.01 179.69 1sds h LYS 111 N 0.35 0.83 -0.06 2.33 1.57 -1.05 -1.90 116.57 118.64 1sds h LYS 111 Ca 0.10 -0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.78 1sds h LYS 111 Cb 0.04 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.16 1sds h LYS 111 CO -0.02 0.55 -0.18 0.28 -0.57 0.00 0.00 179.45 179.51 1sds h VAL 112 N 0.85 1.44 -0.14 0.50 2.07 -0.92 -3.05 116.25 117.01 1sds h VAL 112 Ca 0.31 -1.58 0.04 0.00 0.82 0.00 0.00 66.70 66.29 1sds h VAL 112 Cb 0.17 2.33 -0.01 0.00 -1.52 0.00 0.00 31.29 32.26 1sds h VAL 112 CO -0.10 0.44 0.27 0.78 0.02 0.00 0.00 177.57 178.98 1sds h ASN 113 N -0.30 0.00 -0.74 0.57 2.35 -0.38 0.76 115.58 117.84 1sds h ASN 113 Ca -0.01 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.68 1sds h ASN 113 Cb 0.81 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.15 1sds h ASN 113 CO 0.04 0.00 0.23 1.62 -1.65 0.00 0.00 177.43 177.67 1sds h VAL 114 N 0.00 1.26 0.00 2.81 3.04 -1.24 -3.51 116.25 118.61 1sds h VAL 114 Ca 0.07 -0.92 0.00 0.00 -1.01 0.00 0.00 66.70 64.84 1sds h VAL 114 Cb 0.60 0.45 0.00 0.00 -2.01 0.00 0.00 31.29 30.32 1sds h VAL 114 CO -0.00 0.36 0.00 0.18 -1.01 0.00 0.00 177.57 177.10