#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2o8q s LYS 2 N 0.00 0.64 0.91 1.61 -0.14 -1.26 -5.27 119.74 116.23 2o8q s LYS 2 Ca 0.00 0.78 -0.11 0.00 -1.36 0.00 0.00 55.97 55.28 2o8q s LYS 2 Cb 0.00 0.30 0.14 0.00 -1.68 0.00 0.00 37.83 36.60 2o8q s LYS 2 CO 0.00 -0.08 1.10 -0.51 -0.76 0.00 0.00 175.35 175.10 2o8q s LEU 3 N 0.37 2.42 -0.09 3.17 1.43 -1.26 -5.03 118.68 119.69 2o8q s LEU 3 Ca 0.01 1.81 -0.00 0.00 -1.03 0.00 0.00 54.13 54.92 2o8q s LEU 3 Cb -0.05 -4.20 -0.03 0.00 0.03 0.00 0.00 46.19 41.94 2o8q s LEU 3 CO -0.04 -2.90 -0.07 -1.10 0.23 0.00 0.00 176.35 172.47 2o8q s GLN 4 N -4.76 2.96 0.18 1.70 1.11 -1.26 -4.83 119.66 114.76 2o8q s GLN 4 Ca 0.65 -0.55 -0.33 0.00 0.01 0.00 0.00 55.36 55.14 2o8q s GLN 4 Cb -0.20 -2.65 -0.13 0.00 -1.01 0.00 0.00 33.01 29.01 2o8q s GLN 4 CO 0.58 0.56 1.64 2.41 0.01 0.00 0.00 175.29 180.49 2o8q n THR 5 N 2.54 0.01 -3.88 -0.19 -1.04 -1.26 -4.72 114.28 105.73 2o8q n THR 5 Ca -0.18 -0.00 -0.28 0.00 -2.04 0.00 0.00 64.05 61.55 2o8q n THR 5 Cb 0.53 -1.72 -0.17 0.00 -1.82 0.00 0.00 70.33 67.16 2o8q n THR 5 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 2o8q s THR 6 N 1.06 1.05 -0.06 12.58 2.01 -0.83 -4.95 115.64 126.50 2o8q s THR 6 Ca 0.78 -0.53 0.03 0.00 0.31 0.00 0.00 61.69 62.27 2o8q s THR 6 Cb -0.61 -1.20 -0.03 0.00 0.01 0.00 0.00 72.50 70.67 2o8q s THR 6 CO 0.36 0.17 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.71 2o8q s ILE 7 N 1.67 3.26 0.06 1.82 -1.09 -1.26 -0.86 121.20 124.80 2o8q s ILE 7 Ca 0.02 -0.64 0.03 0.00 -2.23 0.00 0.00 60.65 57.83 2o8q s ILE 7 Cb -0.15 -2.30 -0.03 0.00 -1.58 0.00 0.00 42.46 38.41 2o8q s ILE 7 CO -0.08 0.59 -0.11 -1.10 -1.23 0.00 0.00 174.94 173.02 2o8q s GLN 8 N -0.71 0.66 0.10 2.79 -1.52 -0.70 -4.99 119.66 115.28 2o8q s GLN 8 Ca 0.11 -0.86 0.08 0.00 -1.95 0.00 0.00 55.36 52.75 2o8q s GLN 8 Cb -0.11 -0.52 -0.03 0.00 -0.22 0.00 0.00 33.01 32.13 2o8q s GLN 8 CO 0.01 0.11 -0.22 -1.01 -0.25 0.00 0.00 175.29 173.93 2o8q s HIS 9 N -1.38 1.88 -0.25 0.91 3.76 -1.26 -1.07 115.29 117.87 2o8q s HIS 9 Ca -0.06 -0.41 -0.28 0.00 -0.15 0.00 0.00 55.06 54.17 2o8q s HIS 9 Cb -0.10 -1.04 0.01 0.00 1.11 0.00 0.00 32.58 32.56 2o8q s HIS 9 CO 0.01 0.21 0.97 -2.00 -0.85 0.00 0.00 174.74 173.08 2o8q s GLU 10 N -1.81 4.21 0.65 1.40 2.12 -1.25 -4.94 118.70 119.08 2o8q s GLU 10 Ca 0.08 1.18 -0.18 0.00 0.36 0.00 0.00 54.97 56.41 2o8q s GLU 10 Cb -0.10 -3.66 -0.01 0.00 0.26 0.00 0.00 34.13 30.62 2o8q s GLU 10 CO 0.04 -0.63 1.28 -2.14 -0.54 0.00 0.00 175.26 173.27 2o8q s PRO 11 N 3.14 2.58 -0.07 4.30 0.02 -1.26 -4.96 135.00 138.74 2o8q s PRO 11 Ca 0.41 2.03 -0.11 0.00 0.02 0.00 0.00 61.00 63.35 2o8q s PRO 11 Cb -0.15 -1.85 -0.29 0.00 0.02 0.00 0.00 34.50 32.23 2o8q s PRO 11 CO 0.08 -1.57 0.58 0.87 -0.33 0.00 0.00 177.00 176.63 2o8q h LYS 12 N 0.55 0.35 0.00 5.54 1.57 -1.96 -2.33 116.57 120.28 2o8q h LYS 12 Ca -0.51 -0.59 0.00 0.00 -1.87 0.00 0.00 60.65 57.68 2o8q h LYS 12 Cb 1.33 0.22 0.00 0.00 0.08 0.00 0.00 32.23 33.86 2o8q h LYS 12 CO 0.53 1.28 0.00 -3.47 -0.57 0.00 0.00 179.45 177.23 2o8q n ASP 13 N -3.62 0.00 0.00 0.86 -0.08 -1.26 -4.98 116.55 107.47 2o8q n ASP 13 Ca -0.26 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.02 2o8q n ASP 13 Cb 1.04 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.50 2o8q n ASP 13 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2o8q n GLY 14 N 0.00 0.86 0.00 0.27 0.00 -0.88 -5.04 105.19 100.40 2o8q n GLY 14 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2o8q n GLY 14 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2o8q n SER 15 N 0.00 -0.65 0.00 1.61 3.41 -1.26 -4.63 113.62 112.10 2o8q n SER 15 Ca 0.00 -0.58 0.00 0.00 -0.26 0.00 0.00 58.87 58.03 2o8q n SER 15 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2o8q n SER 15 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2o8q n GLY 16 N 3.20 0.78 3.84 5.00 0.00 -1.26 -4.36 105.19 112.38 2o8q n GLY 16 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 2o8q n GLY 16 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2o8q s PHE 17 N -2.78 3.46 -0.13 1.61 0.40 -1.26 -5.06 117.98 114.21 2o8q s PHE 17 Ca 0.00 0.37 0.03 0.00 -0.60 0.00 0.00 56.93 56.72 2o8q s PHE 17 Cb 0.00 -1.84 0.01 0.00 0.51 0.00 0.00 43.02 41.69 2o8q s PHE 17 CO 0.00 0.64 -0.22 0.34 0.70 0.00 0.00 175.22 176.68 2o8q s ASP 18 N -1.41 3.05 -0.59 1.36 2.15 -1.26 -5.25 116.67 114.71 2o8q s ASP 18 Ca 0.20 -0.58 -0.15 0.00 0.43 0.00 0.00 52.55 52.44 2o8q s ASP 18 Cb -0.12 -1.41 -0.14 0.00 -0.30 0.00 0.00 42.92 40.95 2o8q s ASP 18 CO 0.10 0.09 1.80 -1.14 -0.17 0.00 0.00 175.17 175.85 2o8q n ARG 19 N 3.98 1.25 0.00 4.34 0.63 -1.26 -5.33 116.66 120.27 2o8q n ARG 19 Ca -0.20 -1.41 0.00 0.00 -0.92 0.00 0.00 57.85 55.32 2o8q n ARG 19 Cb 0.52 -2.58 0.00 0.00 0.45 0.00 0.00 32.46 30.84 2o8q n ARG 19 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99 2o8q n ARG 22 N 6.00 0.00 0.22 -0.14 3.00 -1.26 -5.35 116.66 119.13 2o8q n ARG 22 Ca 0.41 0.00 0.12 0.00 -0.00 0.00 0.00 57.85 58.38 2o8q n ARG 22 Cb 0.26 -0.06 0.31 0.00 0.00 0.00 0.00 32.46 32.97 2o8q n ARG 22 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 2o8q h GLU 23 N 0.00 0.00 -0.50 -0.14 3.07 -2.04 -2.80 114.58 112.18 2o8q h GLU 23 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2o8q h GLU 23 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 2o8q h GLU 23 CO 0.00 0.09 0.00 1.19 -1.40 0.00 0.00 179.01 178.89 2o8q n PHE 24 N -3.14 0.69 -4.20 4.33 3.01 -1.26 -4.93 117.46 111.96 2o8q n PHE 24 Ca 0.03 -0.30 -0.12 0.00 1.01 0.00 0.00 57.45 58.06 2o8q n PHE 24 Cb 0.49 -0.08 -0.10 0.00 -0.01 0.00 0.00 39.48 39.78 2o8q n PHE 24 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 2o8q s PHE 25 N -1.57 1.05 0.16 1.38 0.08 -1.06 -2.04 117.98 115.97 2o8q s PHE 25 Ca 0.28 -0.85 0.05 0.00 0.12 0.00 0.00 56.93 56.54 2o8q s PHE 25 Cb 0.16 -0.57 -0.04 0.00 -0.57 0.00 0.00 43.02 42.00 2o8q s PHE 25 CO 0.16 -0.05 -0.11 -1.83 -0.10 0.00 0.00 175.22 173.29 2o8q s GLU 26 N -3.78 1.11 -0.02 0.44 -1.05 -0.36 -4.89 118.70 110.14 2o8q s GLU 26 Ca 0.14 -1.45 0.02 0.00 -0.15 0.00 0.00 54.97 53.53 2o8q s GLU 26 Cb 0.04 -0.75 0.00 0.00 -0.44 0.00 0.00 34.13 32.98 2o8q s GLU 26 CO -0.03 0.11 -0.07 0.71 0.95 0.00 0.00 175.26 176.93 2o8q s TYR 27 N -3.11 0.74 -0.19 4.83 1.51 -1.26 -0.75 117.35 119.12 2o8q s TYR 27 Ca 0.17 -0.16 -0.00 0.00 -1.01 0.00 0.00 57.07 56.06 2o8q s TYR 27 Cb 0.01 -0.53 0.01 0.00 -0.11 0.00 0.00 41.96 41.34 2o8q s TYR 27 CO 0.02 -0.07 -0.16 0.50 -1.11 0.00 0.00 175.55 174.73 2o8q s ARG 28 N 0.15 3.09 0.03 -0.62 3.52 0.10 -4.96 118.95 120.25 2o8q s ARG 28 Ca -0.02 -0.78 -0.26 0.00 -0.13 0.00 0.00 55.73 54.55 2o8q s ARG 28 Cb -0.07 -2.68 -0.05 0.00 -1.56 0.00 0.00 34.95 30.59 2o8q s ARG 28 CO 0.00 -0.21 0.79 0.34 -0.81 0.00 0.00 175.30 175.41 2o8q s ASP 29 N 1.34 7.22 0.19 -2.12 -1.08 -1.26 -0.89 116.67 120.06 2o8q s ASP 29 Ca 0.05 1.46 0.25 0.00 -0.52 0.00 0.00 52.55 53.79 2o8q s ASP 29 Cb -0.13 -2.48 0.90 0.00 -1.46 0.00 0.00 42.92 39.75 2o8q s ASP 29 CO -0.11 -0.03 1.75 0.35 0.52 0.00 0.00 175.17 177.66 2o8q n THR 30 N 3.03 0.62 -0.47 1.71 -2.24 -0.82 -4.93 114.28 111.17 2o8q n THR 30 Ca -0.01 -0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 2o8q n THR 30 Cb 0.50 -0.79 0.00 0.00 -2.10 0.00 0.00 70.33 67.95 2o8q n THR 30 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2o8q n GLY 31 N 0.83 0.74 0.28 3.38 0.00 -1.26 -4.97 105.19 104.19 2o8q n GLY 31 Ca 0.05 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.03 2o8q n GLY 31 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2o8q h VAL 32 N 0.00 1.24 0.34 1.61 2.07 -1.88 -0.55 116.25 119.08 2o8q h VAL 32 Ca 0.00 -1.01 -0.00 0.00 0.82 0.00 0.00 66.70 66.51 2o8q h VAL 32 Cb 0.00 0.94 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 2o8q h VAL 32 CO 0.00 0.35 -0.29 -1.13 0.02 0.00 0.00 177.57 176.52 2o8q h ASN 33 N 0.68 -0.78 -0.33 0.57 -1.24 -1.85 -0.76 115.58 111.87 2o8q h ASN 33 Ca 0.13 0.06 0.07 0.00 0.71 0.00 0.00 56.30 57.28 2o8q h ASN 33 Cb 0.46 0.26 -0.08 0.00 0.73 0.00 0.00 38.32 39.69 2o8q h ASN 33 CO 0.02 -0.43 -0.24 -0.08 -1.29 0.00 0.00 177.43 175.41 2o8q h GLU 34 N -0.65 -0.20 -0.08 6.67 4.57 -1.82 -0.02 114.58 123.05 2o8q h GLU 34 Ca -0.02 0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.17 2o8q h GLU 34 Cb 0.57 0.04 -0.00 0.00 -0.16 0.00 0.00 28.75 29.20 2o8q h GLU 34 CO -0.03 -0.13 0.05 0.00 -1.18 0.00 0.00 179.01 177.71 2o8q h ALA 35 N 0.92 1.92 -0.29 2.92 0.00 -0.67 -2.54 119.26 121.51 2o8q h ALA 35 Ca 0.17 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2o8q h ALA 35 Cb 0.46 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2o8q h ALA 35 CO -0.45 0.07 0.00 0.25 0.00 0.00 0.00 179.25 179.12 2o8q n THR 36 N -4.52 1.18 -2.33 0.00 -2.24 -0.33 -4.97 114.28 101.07 2o8q n THR 36 Ca -0.02 -1.13 -0.19 0.00 -2.27 0.00 0.00 64.05 60.44 2o8q n THR 36 Cb 0.09 0.39 -0.01 0.00 -2.10 0.00 0.00 70.33 68.70 2o8q n THR 36 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2o8q n GLY 37 N 0.24 -0.32 0.99 3.38 0.00 -0.59 -4.60 105.19 104.29 2o8q n GLY 37 Ca 0.12 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.07 2o8q n GLY 37 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2o8q n GLY 38 N -1.00 0.11 3.06 -0.02 0.00 -0.12 -5.03 105.19 102.19 2o8q n GLY 38 Ca -0.23 -0.39 -0.36 0.00 0.00 0.00 0.00 46.02 45.05 2o8q n GLY 38 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2o8q n PHE 40 N -0.67 -4.68 -4.10 1.61 3.01 -1.26 -1.49 117.46 109.88 2o8q n PHE 40 Ca 0.00 0.02 -0.11 0.00 1.01 0.00 0.00 57.45 58.37 2o8q n PHE 40 Cb 0.33 -1.49 -0.11 0.00 -0.01 0.00 0.00 39.48 38.21 2o8q n PHE 40 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 2o8q s GLY 41 N -1.11 0.59 -0.19 1.37 0.00 -0.32 -2.91 107.32 104.76 2o8q s GLY 41 Ca 0.43 -1.05 -0.14 0.00 0.00 0.00 0.00 44.72 43.96 2o8q s GLY 41 CO 0.80 -1.13 0.48 0.00 0.00 0.00 0.00 173.10 173.25 2o8q s ALA 42 N -2.62 -1.21 0.05 3.20 0.00 -1.26 -1.10 121.76 118.82 2o8q s ALA 42 Ca 0.01 1.52 -0.21 0.00 0.00 0.00 0.00 51.96 53.27 2o8q s ALA 42 Cb -0.02 -0.90 0.05 0.00 0.00 0.00 0.00 23.12 22.26 2o8q s ALA 42 CO -0.03 -0.25 0.49 -3.38 0.00 0.00 0.00 175.76 172.58 2o8q s HIS 43 N 0.76 -0.38 -0.16 0.00 -3.43 -0.51 -1.95 115.29 109.62 2o8q s HIS 43 Ca -0.04 0.39 -0.12 0.00 -0.80 0.00 0.00 55.06 54.49 2o8q s HIS 43 Cb -0.05 0.31 -0.05 0.00 -1.43 0.00 0.00 32.58 31.36 2o8q s HIS 43 CO -0.06 -0.63 0.23 0.08 -2.00 0.00 0.00 174.74 172.36 2o8q s VAL 44 N -2.52 5.35 -0.14 -5.38 1.01 -0.07 -1.16 120.40 117.49 2o8q s VAL 44 Ca -0.05 0.41 -0.02 0.00 0.00 0.00 0.00 61.98 62.32 2o8q s VAL 44 Cb -0.01 -3.56 -0.02 0.00 0.00 0.00 0.00 36.38 32.79 2o8q s VAL 44 CO -0.02 0.44 -0.06 -0.63 0.00 0.00 0.00 175.10 174.82 2o8q s ILE 45 N 0.21 3.66 0.01 2.22 1.01 0.81 -0.73 121.20 128.39 2o8q s ILE 45 Ca 0.14 -0.45 0.06 0.00 0.00 0.00 0.00 60.65 60.40 2o8q s ILE 45 Cb -0.12 -2.58 -0.02 0.00 0.01 0.00 0.00 42.46 39.75 2o8q s ILE 45 CO 0.02 0.51 -0.17 0.00 0.00 0.00 0.00 174.94 175.30 2o8q s ARG 46 N 0.26 1.29 0.58 2.79 1.70 0.07 -0.82 118.95 124.82 2o8q s ARG 46 Ca -0.05 -0.70 -0.18 0.00 -0.47 0.00 0.00 55.73 54.33 2o8q s ARG 46 Cb -0.14 -1.29 -0.04 0.00 -0.57 0.00 0.00 34.95 32.91 2o8q s ARG 46 CO 0.04 0.34 1.14 0.00 -1.08 0.00 0.00 175.30 175.73 2o8q s ALA 47 N -0.56 2.61 -0.20 7.88 0.00 -0.72 -1.23 121.76 129.54 2o8q s ALA 47 Ca 0.06 0.78 -0.05 0.00 0.00 0.00 0.00 51.96 52.75 2o8q s ALA 47 Cb -0.07 -3.36 -0.02 0.00 0.00 0.00 0.00 23.12 19.66 2o8q s ALA 47 CO 0.00 -0.97 -0.01 0.42 0.00 0.00 0.00 175.76 175.20 2o8q s ILE 48 N -1.90 3.83 -0.80 0.00 1.01 -0.87 -4.83 121.20 117.64 2o8q s ILE 48 Ca 0.72 -0.36 -0.26 0.00 0.00 0.00 0.00 60.65 60.75 2o8q s ILE 48 Cb -0.24 -2.73 0.03 0.00 0.01 0.00 0.00 42.46 39.54 2o8q s ILE 48 CO 0.32 0.43 1.35 -2.16 0.00 0.00 0.00 174.94 174.87 2o8q s PRO 49 N 1.04 3.25 -0.18 2.79 0.05 -1.26 -4.89 135.00 135.79 2o8q s PRO 49 Ca 0.02 -0.41 -0.04 0.00 0.05 0.00 0.00 61.00 60.61 2o8q s PRO 49 Cb -0.14 -4.46 0.09 0.00 0.05 0.00 0.00 34.50 30.04 2o8q s PRO 49 CO 0.01 -2.20 0.31 -1.25 0.05 0.00 0.00 177.00 173.92 2o8q s PRO 55 N 5.63 0.23 -0.18 0.56 0.05 -1.26 -5.15 135.00 134.88 2o8q s PRO 55 Ca 0.39 0.64 -0.00 0.00 0.05 0.00 0.00 61.00 62.07 2o8q s PRO 55 Cb -0.06 -0.32 0.01 0.00 0.05 0.00 0.00 34.50 34.18 2o8q s PRO 55 CO 0.09 -0.44 -0.15 0.99 0.05 0.00 0.00 177.00 177.54 2o8q s THR 56 N 2.46 2.52 0.22 1.26 2.01 -1.26 -4.99 115.64 117.87 2o8q s THR 56 Ca 0.05 -0.79 -0.32 0.00 0.31 0.00 0.00 61.69 60.93 2o8q s THR 56 Cb -0.14 -2.08 -0.13 0.00 0.01 0.00 0.00 72.50 70.16 2o8q s THR 56 CO -0.12 0.51 1.59 0.79 -0.69 0.00 0.00 174.62 176.70 2o8q n TRP 57 N 4.50 2.53 -3.91 4.92 7.02 -1.26 -4.57 117.44 126.67 2o8q n TRP 57 Ca -0.20 0.24 -0.09 0.00 -1.02 0.00 0.00 57.50 56.43 2o8q n TRP 57 Cb 0.51 -2.58 -0.02 0.00 -2.42 0.00 0.00 31.31 26.80 2o8q n TRP 57 CO 0.00 0.00 0.00 -3.38 -2.02 0.00 0.00 177.69 172.29 2o8q s HIS 58 N 0.54 0.18 0.09 -5.99 -3.43 -0.11 -1.08 115.29 105.50 2o8q s HIS 58 Ca 0.72 -0.64 0.02 0.00 -0.80 0.00 0.00 55.06 54.35 2o8q s HIS 58 Cb -0.58 0.50 -0.04 0.00 -1.43 0.00 0.00 32.58 31.03 2o8q s HIS 58 CO 0.41 -1.24 -0.06 0.95 -2.00 0.00 0.00 174.74 172.80 2o8q s THR 59 N -3.47 0.64 0.05 -5.38 -4.23 -0.49 -1.32 115.64 101.43 2o8q s THR 59 Ca 0.18 -1.83 0.09 0.00 -1.18 0.00 0.00 61.69 58.94 2o8q s THR 59 Cb -0.04 -1.56 -0.03 0.00 1.34 0.00 0.00 72.50 72.22 2o8q s THR 59 CO 0.10 -0.83 -0.25 -1.00 -0.54 0.00 0.00 174.62 172.10 2o8q s HIS 60 N -3.41 2.21 -1.39 3.99 3.76 -1.26 -1.20 115.29 117.99 2o8q s HIS 60 Ca 0.09 -0.40 -0.10 0.00 -0.15 0.00 0.00 55.06 54.50 2o8q s HIS 60 Cb 0.04 -1.32 0.08 0.00 1.11 0.00 0.00 32.58 32.49 2o8q s HIS 60 CO -0.05 0.13 2.24 0.25 -0.85 0.00 0.00 174.74 176.46 2o8q n THR 61 N 1.76 4.24 -4.31 1.30 -2.24 -0.32 -3.02 114.28 111.69 2o8q n THR 61 Ca -0.17 -3.71 -0.28 0.00 -2.27 0.00 0.00 64.05 57.62 2o8q n THR 61 Cb 0.52 -2.42 -0.11 0.00 -2.10 0.00 0.00 70.33 66.22 2o8q n THR 61 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 2o8q s VAL 62 N 1.20 2.87 0.00 2.28 -7.23 -1.26 -4.50 120.40 113.75 2o8q s VAL 62 Ca 0.49 -1.61 0.00 0.00 -1.81 0.00 0.00 61.98 59.05 2o8q s VAL 62 Cb 0.14 -2.35 0.00 0.00 0.56 0.00 0.00 36.38 34.73 2o8q s VAL 62 CO -0.05 0.02 0.00 0.61 -0.31 0.00 0.00 175.10 175.37 2o8q n GLY 63 N 0.55 1.67 3.74 2.32 0.00 0.12 -4.00 105.19 109.59 2o8q n GLY 63 Ca -0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.48 2o8q n GLY 63 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2o8q s PHE 64 N 0.04 3.77 -0.16 1.61 5.36 -1.17 -3.91 117.98 123.53 2o8q s PHE 64 Ca 0.00 1.58 -0.06 0.00 -0.96 0.00 0.00 56.93 57.49 2o8q s PHE 64 Cb 0.00 -2.88 0.07 0.00 -0.34 0.00 0.00 43.02 39.87 2o8q s PHE 64 CO 0.00 0.28 0.35 -1.14 -1.46 0.00 0.00 175.22 173.25 2o8q s GLN 65 N -0.14 0.27 -0.01 10.12 0.74 -1.26 -0.80 119.66 128.58 2o8q s GLN 65 Ca 0.41 0.86 0.01 0.00 0.05 0.00 0.00 55.36 56.69 2o8q s GLN 65 Cb -0.22 0.12 0.00 0.00 1.10 0.00 0.00 33.01 34.02 2o8q s GLN 65 CO 0.25 -0.24 -0.05 -1.17 -0.55 0.00 0.00 175.29 173.54 2o8q s LEU 66 N 2.25 1.79 -0.05 3.68 2.96 -0.06 -1.29 118.68 127.95 2o8q s LEU 66 Ca -0.03 -0.10 0.04 0.00 -0.22 0.00 0.00 54.13 53.83 2o8q s LEU 66 Cb -0.11 -0.30 -0.02 0.00 0.50 0.00 0.00 46.19 46.25 2o8q s LEU 66 CO -0.11 0.03 -0.15 -0.36 -1.32 0.00 0.00 176.35 174.43 2o8q s PHE 67 N 0.19 2.68 -0.15 5.38 0.08 -0.28 -1.07 117.98 124.81 2o8q s PHE 67 Ca -0.02 -0.23 -0.00 0.00 0.12 0.00 0.00 56.93 56.79 2o8q s PHE 67 Cb -0.06 -1.64 0.04 0.00 -0.57 0.00 0.00 43.02 40.79 2o8q s PHE 67 CO -0.00 0.13 -0.06 -0.47 -0.10 0.00 0.00 175.22 174.72 2o8q s TYR 68 N -0.62 1.63 -0.09 0.36 6.14 0.04 -0.95 117.35 123.85 2o8q s TYR 68 Ca 0.09 -0.97 -0.30 0.00 0.64 0.00 0.00 57.07 56.53 2o8q s TYR 68 Cb -0.11 -1.29 -0.02 0.00 0.42 0.00 0.00 41.96 40.96 2o8q s TYR 68 CO 0.01 -0.58 1.08 0.08 0.64 0.00 0.00 175.55 176.78 2o8q s VAL 69 N 1.66 4.58 -0.15 3.14 1.01 0.09 -1.06 120.40 129.67 2o8q s VAL 69 Ca 0.02 1.87 0.15 0.00 0.00 0.00 0.00 61.98 64.03 2o8q s VAL 69 Cb -0.14 -4.20 -0.24 0.00 0.00 0.00 0.00 36.38 31.79 2o8q s VAL 69 CO -0.08 -0.01 0.26 0.18 0.00 0.00 0.00 175.10 175.46 2o8q n LEU 70 N 5.16 0.40 -3.57 3.92 4.77 0.55 -0.67 117.00 127.56 2o8q n LEU 70 Ca 0.10 0.14 -0.16 0.00 -0.03 0.00 0.00 56.01 56.06 2o8q n LEU 70 Cb 0.48 0.34 -0.06 0.00 -2.33 0.00 0.00 43.42 41.84 2o8q n LEU 70 CO 0.53 0.48 0.43 -0.60 -1.33 0.00 0.00 177.39 176.90 2o8q s ARG 71 N -2.53 0.95 2.47 3.23 3.52 -0.95 -4.80 118.95 120.84 2o8q s ARG 71 Ca -0.09 0.60 0.00 0.00 -0.13 0.00 0.00 55.73 56.11 2o8q s ARG 71 Cb 0.07 0.46 0.00 0.00 -1.56 0.00 0.00 34.95 33.91 2o8q s ARG 71 CO 0.82 -0.22 0.00 0.41 -0.81 0.00 0.00 175.30 175.50 2o8q n GLY 72 N 1.73 -0.98 3.23 8.12 0.00 -1.26 -1.09 105.19 114.94 2o8q n GLY 72 Ca -0.17 -1.22 -0.11 0.00 0.00 0.00 0.00 46.02 44.53 2o8q n GLY 72 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2o8q s TRP 73 N 0.00 -0.02 -0.11 1.61 1.48 -1.26 -2.71 118.94 117.94 2o8q s TRP 73 Ca 0.00 -0.22 -0.11 0.00 -1.06 0.00 0.00 56.10 54.71 2o8q s TRP 73 Cb 0.00 0.04 0.03 0.00 -1.16 0.00 0.00 33.47 32.38 2o8q s TRP 73 CO 0.00 -0.51 0.31 0.54 -4.06 0.00 0.00 176.95 173.23 2o8q s VAL 74 N -2.92 0.01 -0.18 -0.66 0.11 -0.29 -1.30 120.40 115.17 2o8q s VAL 74 Ca -0.02 -0.05 -0.02 0.00 -2.93 0.00 0.00 61.98 58.96 2o8q s VAL 74 Cb 0.00 -0.45 -0.01 0.00 -1.53 0.00 0.00 36.38 34.39 2o8q s VAL 74 CO -0.06 -0.03 -0.10 -0.70 -3.33 0.00 0.00 175.10 170.88 2o8q s GLU 75 N 0.02 3.32 0.31 1.54 2.12 -0.16 -0.58 118.70 125.27 2o8q s GLU 75 Ca -0.01 -0.68 0.08 0.00 0.36 0.00 0.00 54.97 54.72 2o8q s GLU 75 Cb -0.03 -2.78 -0.04 0.00 0.26 0.00 0.00 34.13 31.54 2o8q s GLU 75 CO 0.01 -0.03 0.15 -0.06 -0.54 0.00 0.00 175.26 174.79 2o8q s PHE 76 N 0.98 2.82 -0.02 5.30 0.08 -0.18 -0.00 117.98 126.95 2o8q s PHE 76 Ca -0.01 -0.29 0.02 0.00 0.12 0.00 0.00 56.93 56.77 2o8q s PHE 76 Cb -0.15 -1.54 0.01 0.00 -0.57 0.00 0.00 43.02 40.77 2o8q s PHE 76 CO -0.01 0.39 -0.06 -2.00 -0.10 0.00 0.00 175.22 173.44 2o8q s GLU 77 N -3.84 0.67 0.11 0.44 2.12 0.15 -0.46 118.70 117.89 2o8q s GLU 77 Ca 0.36 -0.20 0.10 0.00 0.36 0.00 0.00 54.97 55.59 2o8q s GLU 77 Cb -0.05 -0.66 -0.04 0.00 0.26 0.00 0.00 34.13 33.65 2o8q s GLU 77 CO 0.23 0.07 -0.25 0.71 -0.54 0.00 0.00 175.26 175.48 2o8q s TYR 78 N 0.24 2.15 0.40 5.30 2.02 -0.19 -1.18 117.35 126.08 2o8q s TYR 78 Ca -0.03 -0.39 0.11 0.00 -0.37 0.00 0.00 57.07 56.39 2o8q s TYR 78 Cb -0.07 -1.18 0.84 0.00 -0.40 0.00 0.00 41.96 41.15 2o8q s TYR 78 CO -0.00 0.28 1.92 1.05 -1.57 0.00 0.00 175.55 177.23 2o8q h GLU 79 N 4.05 0.13 0.07 -0.62 4.11 -1.59 -1.73 114.58 119.00 2o8q h GLU 79 Ca -0.49 -0.03 -0.31 0.00 0.07 0.00 0.00 59.36 58.59 2o8q h GLU 79 Cb 1.17 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.38 2o8q h GLU 79 CO 0.40 0.32 -1.72 -0.40 0.07 0.00 0.00 179.01 177.67 2o8q n ASP 80 N -4.26 2.02 -0.24 3.06 5.75 -1.26 -4.73 116.55 116.89 2o8q n ASP 80 Ca -0.01 0.29 0.04 0.00 -0.01 0.00 0.00 54.79 55.10 2o8q n ASP 80 Cb 0.28 -0.90 0.02 0.00 -1.03 0.00 0.00 41.12 39.49 2o8q n ASP 80 CO 0.00 0.00 0.00 2.30 -0.11 0.00 0.00 177.20 179.39 2o8q n ILE 81 N -3.88 0.00 -2.42 2.12 -5.35 -1.24 -5.09 119.36 103.51 2o8q n ILE 81 Ca -0.33 -0.46 0.00 0.00 -0.27 0.00 0.00 62.75 61.69 2o8q n ILE 81 Cb 0.90 1.12 0.00 0.00 -1.74 0.00 0.00 39.64 39.92 2o8q n ILE 81 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2o8q n GLY 82 N 0.61 -1.25 3.77 3.28 0.00 -0.65 -4.89 105.19 106.06 2o8q n GLY 82 Ca 0.04 -1.53 -0.39 0.00 0.00 0.00 0.00 46.02 44.14 2o8q n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2o8q s ALA 83 N -1.40 3.27 0.00 4.61 0.00 -1.26 -1.03 121.76 125.96 2o8q s ALA 83 Ca 0.00 0.69 0.00 0.00 0.00 0.00 0.00 51.96 52.65 2o8q s ALA 83 Cb 0.00 -3.25 0.00 0.00 0.00 0.00 0.00 23.12 19.87 2o8q s ALA 83 CO 0.00 0.01 0.00 0.28 0.00 0.00 0.00 175.76 176.05 2o8q n VAL 84 N 0.85 0.00 -3.65 0.00 0.31 0.39 -4.98 118.33 111.25 2o8q n VAL 84 Ca 0.01 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.33 2o8q n VAL 84 Cb 0.48 0.00 -0.07 0.00 -0.91 0.00 0.00 33.84 33.34 2o8q n VAL 84 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2o8q s LEU 86 N 0.00 -0.07 0.00 7.52 1.43 0.25 -1.01 118.68 126.80 2o8q s LEU 86 Ca 0.00 0.13 0.02 0.00 -1.03 0.00 0.00 54.13 53.25 2o8q s LEU 86 Cb 0.00 1.12 0.02 0.00 0.03 0.00 0.00 46.19 47.36 2o8q s LEU 86 CO 0.00 -0.02 0.16 -0.62 0.23 0.00 0.00 176.35 176.10 2o8q n GLU 87 N 2.20 1.04 -1.64 1.70 1.02 -1.26 -1.14 120.64 122.56 2o8q n GLU 87 Ca -0.13 -2.41 -0.46 0.00 -0.02 0.00 0.00 57.16 54.14 2o8q n GLU 87 Cb 0.57 0.43 -0.03 0.00 -0.02 0.00 0.00 31.44 32.39 2o8q n GLU 87 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2o8q n ALA 88 N -2.09 0.43 0.00 0.62 0.00 -1.10 -0.76 120.51 117.62 2o8q n ALA 88 Ca -0.13 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.73 2o8q n ALA 88 Cb 0.43 -2.18 0.00 0.00 0.00 0.00 0.00 19.45 17.70 2o8q n ALA 88 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2o8q n GLY 89 N 1.98 1.65 3.82 0.00 0.00 0.16 -4.65 105.19 108.14 2o8q n GLY 89 Ca 0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.81 2o8q n GLY 89 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2o8q s GLY 90 N -2.07 2.42 0.03 -0.02 0.00 0.06 -3.75 107.32 103.99 2o8q s GLY 90 Ca 0.00 0.42 0.02 0.00 0.00 0.00 0.00 44.72 45.15 2o8q s GLY 90 CO 0.00 0.71 -0.07 -1.35 0.00 0.00 0.00 173.10 172.39 2o8q s SER 91 N -2.14 0.71 -0.11 1.64 1.04 -0.23 -0.73 113.70 113.87 2o8q s SER 91 Ca 0.62 -0.49 -0.02 0.00 0.48 0.00 0.00 55.95 56.54 2o8q s SER 91 Cb -0.10 0.04 0.04 0.00 0.10 0.00 0.00 66.02 66.10 2o8q s SER 91 CO 0.14 -0.19 0.01 0.00 0.98 0.00 0.00 173.24 174.17 2o8q s ALA 92 N -1.26 0.82 -0.22 5.32 0.00 -0.13 -1.73 121.76 124.57 2o8q s ALA 92 Ca -0.10 -0.30 -0.18 0.00 0.00 0.00 0.00 51.96 51.37 2o8q s ALA 92 Cb -0.09 -0.87 -0.03 0.00 0.00 0.00 0.00 23.12 22.13 2o8q s ALA 92 CO 0.00 -0.64 0.52 0.12 0.00 0.00 0.00 175.76 175.76 2o8q s PHE 93 N 1.93 3.34 -0.32 0.00 5.36 -0.04 -1.13 117.98 127.12 2o8q s PHE 93 Ca 0.03 0.74 -0.07 0.00 -0.96 0.00 0.00 56.93 56.68 2o8q s PHE 93 Cb -0.14 -2.69 0.02 0.00 -0.34 0.00 0.00 43.02 39.88 2o8q s PHE 93 CO -0.06 -0.16 0.09 -0.65 -1.46 0.00 0.00 175.22 172.98 2o8q s GLN 94 N 1.84 2.85 0.81 10.12 -0.21 -0.41 -1.97 119.66 132.69 2o8q s GLN 94 Ca 0.23 -1.02 -0.14 0.00 0.02 0.00 0.00 55.36 54.45 2o8q s GLN 94 Cb -0.15 -3.41 0.06 0.00 1.00 0.00 0.00 33.01 30.50 2o8q s GLN 94 CO 0.09 -0.56 0.99 -2.30 -2.12 0.00 0.00 175.29 171.39 2o8q n PRO 95 N 4.84 0.14 -1.68 2.91 -0.02 -1.26 -4.03 135.00 135.89 2o8q n PRO 95 Ca -0.13 0.11 -0.56 0.00 -2.02 0.00 0.00 63.50 60.90 2o8q n PRO 95 Cb 0.46 -2.26 -0.07 0.00 -0.02 0.00 0.00 33.50 31.62 2o8q n PRO 95 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2o8q n PRO 96 N -2.65 1.29 -1.16 0.52 -0.02 -1.25 -1.46 135.00 130.28 2o8q n PRO 96 Ca 0.12 0.47 -0.06 0.00 -2.02 0.00 0.00 63.50 62.01 2o8q n PRO 96 Cb 0.51 -2.21 -0.02 0.00 -0.02 0.00 0.00 33.50 31.75 2o8q n PRO 96 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2o8q n GLY 97 N 4.51 0.73 3.75 -1.23 0.00 -1.17 -4.96 105.19 106.82 2o8q n GLY 97 Ca 0.28 -0.25 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 2o8q n GLY 97 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2o8q n VAL 98 N -2.57 1.48 -2.50 1.61 3.14 -0.53 -4.70 118.33 114.27 2o8q n VAL 98 Ca -0.06 -0.37 -0.42 0.00 -2.96 0.00 0.00 64.34 60.53 2o8q n VAL 98 Cb 0.32 -1.89 -0.03 0.00 -1.06 0.00 0.00 33.84 31.18 2o8q n VAL 98 CO 0.00 0.00 0.00 -0.13 -6.46 0.00 0.00 176.83 170.24 2o8q s ARG 99 N -1.23 4.38 0.28 1.45 0.52 -1.26 -4.46 118.95 118.63 2o8q s ARG 99 Ca 0.59 1.63 -0.17 0.00 -0.52 0.00 0.00 55.73 57.26 2o8q s ARG 99 Cb -0.51 -3.53 0.01 0.00 0.52 0.00 0.00 34.95 31.45 2o8q s ARG 99 CO 0.56 -0.39 0.63 -3.38 0.02 0.00 0.00 175.30 172.74 2o8q s HIS 100 N 2.01 0.06 0.16 -0.53 -3.43 -0.44 -1.50 115.29 111.63 2o8q s HIS 100 Ca 0.55 -0.49 -0.18 0.00 -0.80 0.00 0.00 55.06 54.14 2o8q s HIS 100 Cb -0.24 0.51 0.04 0.00 -1.43 0.00 0.00 32.58 31.46 2o8q s HIS 100 CO 0.22 -1.17 0.48 -0.98 -2.00 0.00 0.00 174.74 171.30 2o8q s ARG 101 N -3.84 1.25 -0.23 -0.38 1.70 -0.32 -0.93 118.95 116.20 2o8q s ARG 101 Ca 0.16 -0.76 -0.08 0.00 -0.47 0.00 0.00 55.73 54.58 2o8q s ARG 101 Cb -0.04 0.51 -0.04 0.00 -0.57 0.00 0.00 34.95 34.81 2o8q s ARG 101 CO 0.08 -0.52 0.09 -2.00 -1.08 0.00 0.00 175.30 171.88 2o8q s GLU 102 N -3.83 3.82 -0.04 3.89 2.12 -1.26 -0.67 118.70 122.72 2o8q s GLU 102 Ca 0.06 -0.40 -0.09 0.00 0.36 0.00 0.00 54.97 54.90 2o8q s GLU 102 Cb 0.00 -3.35 -0.30 0.00 0.26 0.00 0.00 34.13 30.75 2o8q s GLU 102 CO -0.08 -0.03 0.68 -0.07 -0.54 0.00 0.00 175.26 175.23 2o8q h LEU 103 N 7.72 0.56 -7.04 2.70 3.38 -0.74 -3.40 115.31 118.49 2o8q h LEU 103 Ca -0.37 -0.85 0.28 0.00 0.09 0.00 0.00 57.88 57.03 2o8q h LEU 103 Cb 1.18 -0.18 -0.18 0.00 0.09 0.00 0.00 40.66 41.57 2o8q h LEU 103 CO 0.61 1.72 0.83 0.00 0.09 0.00 0.00 178.44 181.69 2o8q s ARG 104 N -2.58 0.30 0.18 1.13 1.70 -1.20 -4.85 118.95 113.63 2o8q s ARG 104 Ca -0.15 -0.12 -0.16 0.00 -0.47 0.00 0.00 55.73 54.83 2o8q s ARG 104 Cb 0.06 0.13 0.02 0.00 -0.57 0.00 0.00 34.95 34.59 2o8q s ARG 104 CO 0.85 -0.13 0.46 -3.38 -1.08 0.00 0.00 175.30 172.02 2o8q s HIS 105 N -2.38 -0.03 0.61 5.89 -3.43 -1.26 -0.99 115.29 113.69 2o8q s HIS 105 Ca 0.10 -0.32 -0.14 0.00 -0.80 0.00 0.00 55.06 53.91 2o8q s HIS 105 Cb 0.00 0.28 -0.03 0.00 -1.43 0.00 0.00 32.58 31.40 2o8q s HIS 105 CO -0.04 -0.85 1.04 -1.54 -2.00 0.00 0.00 174.74 171.35 2o8q s SER 106 N -2.88 5.92 0.52 7.38 1.04 -0.42 -4.95 113.70 120.31 2o8q s SER 106 Ca 0.10 1.65 0.26 0.00 0.48 0.00 0.00 55.95 58.43 2o8q s SER 106 Cb 0.00 -2.51 1.42 0.00 0.10 0.00 0.00 66.02 65.03 2o8q s SER 106 CO -0.04 -1.07 2.08 0.44 0.98 0.00 0.00 173.24 175.63 2o8q h ASP 107 N 0.11 0.00 -0.68 7.02 3.32 -1.97 -2.41 116.42 121.81 2o8q h ASP 107 Ca -0.46 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.59 2o8q h ASP 107 Cb 1.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.75 2o8q h ASP 107 CO 0.59 0.12 0.00 -0.90 -1.72 0.00 0.00 179.24 177.33 2o8q n ASP 108 N -3.76 4.55 -4.65 6.45 5.75 -1.26 -4.57 116.55 119.06 2o8q n ASP 108 Ca -0.02 -2.31 -0.47 0.00 -0.01 0.00 0.00 54.79 51.98 2o8q n ASP 108 Cb 0.22 -0.56 -0.04 0.00 -1.03 0.00 0.00 41.12 39.72 2o8q n ASP 108 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 2o8q n LEU 109 N 1.31 2.81 -3.95 -2.12 7.94 -0.91 -4.07 117.00 118.02 2o8q n LEU 109 Ca 0.26 1.10 -0.21 0.00 -1.11 0.00 0.00 56.01 56.04 2o8q n LEU 109 Cb 0.81 -1.38 -0.16 0.00 0.53 0.00 0.00 43.42 43.22 2o8q n LEU 109 CO 0.22 -0.46 -0.43 -1.61 -1.11 0.00 0.00 177.39 174.00 2o8q s GLU 110 N 0.65 1.07 -0.04 1.96 2.02 -0.25 -1.76 118.70 122.36 2o8q s GLU 110 Ca 0.78 -0.22 -0.03 0.00 0.02 0.00 0.00 54.97 55.52 2o8q s GLU 110 Cb -0.73 -0.99 0.02 0.00 0.10 0.00 0.00 34.13 32.54 2o8q s GLU 110 CO 0.41 -0.01 0.09 0.54 0.02 0.00 0.00 175.26 176.31 2o8q s VAL 111 N 0.69 -0.02 -0.08 2.63 0.11 0.00 -0.33 120.40 123.40 2o8q s VAL 111 Ca -0.11 0.08 -0.18 0.00 -2.93 0.00 0.00 61.98 58.83 2o8q s VAL 111 Cb -0.14 -0.15 -0.05 0.00 -1.53 0.00 0.00 36.38 34.52 2o8q s VAL 111 CO 0.01 0.03 0.50 -0.22 -3.33 0.00 0.00 175.10 172.09 2o8q s LEU 112 N 0.48 4.33 -0.11 2.54 2.96 -0.23 -0.14 118.68 128.51 2o8q s LEU 112 Ca -0.04 0.91 0.02 0.00 -0.22 0.00 0.00 54.13 54.81 2o8q s LEU 112 Cb -0.05 -2.74 -0.01 0.00 0.50 0.00 0.00 46.19 43.89 2o8q s LEU 112 CO -0.02 0.05 -0.18 -0.70 -1.32 0.00 0.00 176.35 174.18 2o8q s GLU 113 N 0.29 3.11 -0.12 1.98 2.12 -0.31 -0.78 118.70 124.99 2o8q s GLU 113 Ca 0.27 -0.77 0.03 0.00 0.36 0.00 0.00 54.97 54.86 2o8q s GLU 113 Cb -0.16 -2.45 0.01 0.00 0.26 0.00 0.00 34.13 31.78 2o8q s GLU 113 CO 0.12 0.26 -0.21 0.42 -0.54 0.00 0.00 175.26 175.31 2o8q s ILE 114 N 0.19 1.92 0.10 -3.70 1.09 -0.24 -1.42 121.20 119.15 2o8q s ILE 114 Ca -0.11 -0.91 -0.00 0.00 -1.10 0.00 0.00 60.65 58.53 2o8q s ILE 114 Cb -0.16 -1.70 -0.04 0.00 -1.06 0.00 0.00 42.46 39.50 2o8q s ILE 114 CO 0.06 0.53 -0.01 0.68 -0.10 0.00 0.00 174.94 176.10 2o8q s VAL 115 N 0.71 0.32 -0.06 2.92 -7.23 -0.26 -0.88 120.40 115.93 2o8q s VAL 115 Ca -0.10 -1.88 -0.02 0.00 -1.81 0.00 0.00 61.98 58.16 2o8q s VAL 115 Cb -0.16 -1.77 0.03 0.00 0.56 0.00 0.00 36.38 35.04 2o8q s VAL 115 CO 0.01 -0.76 0.12 -0.55 -0.31 0.00 0.00 175.10 173.62 2o8q s SER 116 N -3.01 -0.08 0.91 4.85 0.15 0.02 -1.17 113.70 115.37 2o8q s SER 116 Ca 0.15 0.25 -0.14 0.00 0.70 0.00 0.00 55.95 56.91 2o8q s SER 116 Cb 0.07 0.15 0.15 0.00 -1.71 0.00 0.00 66.02 64.68 2o8q s SER 116 CO -0.04 -0.14 1.24 -2.16 1.20 0.00 0.00 173.24 173.34 2o8q s PRO 117 N 1.06 1.12 0.19 5.44 0.04 -1.26 0.14 135.00 141.72 2o8q s PRO 117 Ca -0.08 -0.11 -0.10 0.00 0.04 0.00 0.00 61.00 60.75 2o8q s PRO 117 Cb -0.11 -1.87 0.11 0.00 0.04 0.00 0.00 34.50 32.67 2o8q s PRO 117 CO -0.05 -2.14 1.75 0.00 0.04 0.00 0.00 177.00 176.61 2o8q h ALA 118 N -1.45 0.88 -1.03 8.56 0.00 -1.44 -3.28 119.26 121.51 2o8q h ALA 118 Ca -0.46 -0.17 -0.77 0.00 0.00 0.00 0.00 54.91 53.51 2o8q h ALA 118 Cb 1.29 -0.27 -0.24 0.00 0.00 0.00 0.00 17.79 18.57 2o8q h ALA 118 CO 0.52 0.50 1.26 0.41 0.00 0.00 0.00 179.25 181.93 2o8q n GLY 119 N -0.86 5.72 3.80 0.00 0.00 -1.26 -4.88 105.19 107.70 2o8q n GLY 119 Ca 0.05 -2.41 -0.33 0.00 0.00 0.00 0.00 46.02 43.33 2o8q n GLY 119 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2o8q s PHE 120 N -3.50 2.94 0.39 1.61 -0.71 -1.24 -5.07 117.98 112.40 2o8q s PHE 120 Ca 0.46 1.54 -0.01 0.00 -1.04 0.00 0.00 56.93 57.88 2o8q s PHE 120 Cb 0.25 -3.06 -0.03 0.00 -1.21 0.00 0.00 43.02 38.97 2o8q s PHE 120 CO -0.19 -1.08 0.62 0.00 -1.34 0.00 0.00 175.22 173.23 2o8q s ALA 121 N -2.21 3.61 -0.06 1.99 0.00 -1.26 -4.88 121.76 118.94 2o8q s ALA 121 Ca 0.66 -0.79 0.03 0.00 0.00 0.00 0.00 51.96 51.86 2o8q s ALA 121 Cb -0.17 -2.25 0.01 0.00 0.00 0.00 0.00 23.12 20.70 2o8q s ALA 121 CO 0.30 -0.12 -0.14 0.99 0.00 0.00 0.00 175.76 176.78 2o8q s THR 122 N -2.45 1.27 -0.04 0.00 2.01 -1.26 -1.17 115.64 114.01 2o8q s THR 122 Ca 0.42 -0.58 0.06 0.00 0.31 0.00 0.00 61.69 61.91 2o8q s THR 122 Cb -0.10 -1.13 -0.01 0.00 0.01 0.00 0.00 72.50 71.27 2o8q s THR 122 CO 0.39 0.38 -0.22 -0.44 -0.69 0.00 0.00 174.62 174.04 2o8q s SER 123 N 0.48 2.69 0.24 3.53 0.01 -0.34 -4.98 113.70 115.33 2o8q s SER 123 Ca -0.12 -0.43 -0.30 0.00 1.31 0.00 0.00 55.95 56.41 2o8q s SER 123 Cb -0.15 -0.54 -0.09 0.00 0.21 0.00 0.00 66.02 65.46 2o8q s SER 123 CO 0.04 0.24 1.03 -0.69 0.41 0.00 0.00 173.24 174.27 2o8q s VAL 124 N -0.29 3.82 0.04 3.43 1.01 -1.26 -1.39 120.40 125.75 2o8q s VAL 124 Ca 0.02 1.77 -0.30 0.00 0.00 0.00 0.00 61.98 63.47 2o8q s VAL 124 Cb -0.11 -4.13 -0.05 0.00 0.00 0.00 0.00 36.38 32.09 2o8q s VAL 124 CO 0.01 0.40 1.15 -0.69 0.00 0.00 0.00 175.10 175.97 2o8q s VAL 125 N -0.97 4.24 -0.65 2.92 1.01 -0.24 -4.92 120.40 121.79 2o8q s VAL 125 Ca 0.44 1.61 -0.27 0.00 0.00 0.00 0.00 61.98 63.76 2o8q s VAL 125 Cb -0.29 -4.03 -0.01 0.00 0.00 0.00 0.00 36.38 32.06 2o8q s VAL 125 CO 0.36 0.12 1.70 1.51 0.00 0.00 0.00 175.10 178.79 2o8q s ASP 126 N 1.06 5.52 0.14 3.32 -4.77 -1.26 -4.88 116.67 115.80 2o8q s ASP 126 Ca 0.57 0.10 -0.06 0.00 -3.30 0.00 0.00 52.55 49.86 2o8q s ASP 126 Cb -0.27 -2.54 -0.06 0.00 -1.09 0.00 0.00 42.92 38.95 2o8q s ASP 126 CO 0.29 -2.23 1.34 -0.07 0.70 0.00 0.00 175.17 175.20 2o8q h LEU 127 N 15.48 0.63 0.00 2.11 4.07 -1.98 -3.55 115.31 132.07 2o8q h LEU 127 Ca -0.26 -0.45 0.00 0.00 0.08 0.00 0.00 57.88 57.25 2o8q h LEU 127 Cb 1.13 -0.19 0.00 0.00 1.08 0.00 0.00 40.66 42.68 2o8q h LEU 127 CO 1.24 1.23 0.00 -0.62 -1.08 0.00 0.00 178.44 179.21