#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xmo s PHE 6 N 0.00 2.39 -0.08 2.11 0.40 -1.26 -4.82 117.98 116.72 1xmo s PHE 6 Ca 0.00 0.25 0.04 0.00 -0.60 0.00 0.00 56.93 56.63 1xmo s PHE 6 Cb 0.00 -3.31 -0.01 0.00 0.51 0.00 0.00 43.02 40.21 1xmo s PHE 6 CO 0.00 -1.69 -0.22 -2.00 0.70 0.00 0.00 175.22 172.01 1xmo s GLU 7 N -5.33 2.84 -0.34 0.44 2.12 0.23 -4.90 118.70 113.77 1xmo s GLU 7 Ca 0.64 -0.85 -0.15 0.00 0.36 0.00 0.00 54.97 54.97 1xmo s GLU 7 Cb -0.08 -2.30 -0.01 0.00 0.26 0.00 0.00 34.13 32.00 1xmo s GLU 7 CO 0.46 0.31 0.37 -2.00 -0.54 0.00 0.00 175.26 173.85 1xmo s GLU 8 N 0.04 3.60 -0.12 4.30 2.12 -1.26 -0.73 118.70 126.66 1xmo s GLU 8 Ca -0.09 -0.37 0.01 0.00 0.36 0.00 0.00 54.97 54.89 1xmo s GLU 8 Cb -0.15 -3.79 0.02 0.00 0.26 0.00 0.00 34.13 30.46 1xmo s GLU 8 CO 0.06 -0.51 -0.16 0.21 -0.54 0.00 0.00 175.26 174.32 1xmo s LYS 9 N 2.04 2.34 -0.32 4.30 2.20 0.28 -4.99 119.74 125.60 1xmo s LYS 9 Ca 0.12 -0.60 -0.18 0.00 -0.36 0.00 0.00 55.97 54.96 1xmo s LYS 9 Cb -0.16 -2.02 -0.01 0.00 -1.51 0.00 0.00 37.83 34.13 1xmo s LYS 9 CO 0.12 -0.11 0.51 1.41 -0.36 0.00 0.00 175.35 176.92 1xmo s MET 10 N 1.11 3.78 -0.02 4.03 -2.45 -1.26 0.77 119.30 125.26 1xmo s MET 10 Ca -0.03 0.01 -0.26 0.00 -1.25 0.00 0.00 55.69 54.16 1xmo s MET 10 Cb -0.14 -3.75 -0.20 0.00 1.25 0.00 0.00 34.83 31.98 1xmo s MET 10 CO -0.04 -0.54 1.25 0.82 1.05 0.00 0.00 175.02 177.56 1xmo h ILE 11 N 5.54 1.35 -1.65 10.11 1.08 -1.41 -3.49 117.51 129.05 1xmo h ILE 11 Ca -0.28 -1.13 0.23 0.00 -0.39 0.00 0.00 64.86 63.28 1xmo h ILE 11 Cb 1.13 2.12 -0.18 0.00 -3.07 0.00 0.00 36.82 36.82 1xmo h ILE 11 CO 0.75 0.29 0.74 -1.48 -0.69 0.00 0.00 178.15 177.77 1xmo s LEU 12 N -9.22 -0.18 -0.09 1.44 -0.00 -1.24 -5.01 118.68 104.38 1xmo s LEU 12 Ca -0.16 -0.01 -0.01 0.00 -0.00 0.00 0.00 54.13 53.96 1xmo s LEU 12 Cb 0.02 1.52 0.03 0.00 -0.00 0.00 0.00 46.19 47.75 1xmo s LEU 12 CO 0.66 -0.32 -0.02 0.27 -0.00 0.00 0.00 176.35 176.94 1xmo s ILE 13 N -2.57 0.60 0.27 1.48 -4.36 -1.25 -2.07 121.20 113.29 1xmo s ILE 13 Ca 0.09 -0.03 0.08 0.00 -0.26 0.00 0.00 60.65 60.52 1xmo s ILE 13 Cb -0.01 -0.72 -0.04 0.00 1.25 0.00 0.00 42.46 42.94 1xmo s ILE 13 CO -0.05 0.28 0.11 0.00 0.24 0.00 0.00 174.94 175.52 1xmo s ARG 14 N 1.88 2.60 0.00 0.37 1.70 -0.88 -4.94 118.95 119.69 1xmo s ARG 14 Ca 0.05 -1.26 0.00 0.00 -0.47 0.00 0.00 55.73 54.05 1xmo s ARG 14 Cb -0.12 -2.36 0.00 0.00 -0.57 0.00 0.00 34.95 31.90 1xmo s ARG 14 CO -0.06 0.35 0.01 -2.13 -1.08 0.00 0.00 175.30 172.39 1xmo n ARG 15 N -1.06 0.00 0.00 3.89 0.63 -1.26 -1.87 116.66 116.99 1xmo n ARG 15 Ca -0.07 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.86 1xmo n ARG 15 Cb 0.59 -0.18 0.00 0.00 0.45 0.00 0.00 32.46 33.31 1xmo n ARG 15 CO 0.00 0.00 0.00 -2.37 -2.51 0.00 0.00 177.63 172.75 1xmo n THR 16 N -0.14 0.00 -3.64 5.15 5.66 -1.26 -3.63 114.28 116.43 1xmo n THR 16 Ca 0.00 0.00 -0.11 0.00 -3.05 0.00 0.00 64.05 60.89 1xmo n THR 16 Cb 0.00 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 68.71 1xmo n THR 16 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1xmo s ALA 17 N -2.40 -1.80 0.26 1.79 0.00 -1.26 -3.48 121.76 114.87 1xmo s ALA 17 Ca 0.00 2.17 0.08 0.00 0.00 0.00 0.00 51.96 54.21 1xmo s ALA 17 Cb 0.00 -1.27 -0.04 0.00 0.00 0.00 0.00 23.12 21.81 1xmo s ALA 17 CO 0.00 -0.35 0.15 -0.98 0.00 0.00 0.00 175.76 174.58 1xmo s ARG 18 N 0.91 2.78 -0.07 0.00 1.70 0.09 -4.95 118.95 119.42 1xmo s ARG 18 Ca -0.04 -1.14 0.02 0.00 -0.47 0.00 0.00 55.73 54.09 1xmo s ARG 18 Cb -0.05 -2.47 -0.03 0.00 -0.57 0.00 0.00 34.95 31.83 1xmo s ARG 18 CO -0.08 0.39 -0.09 -1.64 -1.08 0.00 0.00 175.30 172.79 1xmo s MET 19 N -3.81 2.70 0.08 3.89 -1.94 -1.26 -0.99 119.30 117.98 1xmo s MET 19 Ca 0.33 -0.60 0.04 0.00 -1.71 0.00 0.00 55.69 53.75 1xmo s MET 19 Cb -0.07 -2.53 -0.03 0.00 2.01 0.00 0.00 34.83 34.20 1xmo s MET 19 CO 0.24 0.63 -0.11 -0.65 -0.01 0.00 0.00 175.02 175.12 1xmo s GLN 20 N -0.73 0.80 0.79 2.03 -1.52 0.37 -4.92 119.66 116.48 1xmo s GLN 20 Ca 0.11 -1.05 -0.16 0.00 -1.95 0.00 0.00 55.36 52.30 1xmo s GLN 20 Cb -0.11 -0.57 -0.09 0.00 -0.22 0.00 0.00 33.01 32.01 1xmo s GLN 20 CO 0.01 0.10 -0.07 0.00 -0.25 0.00 0.00 175.29 175.08 1xmo n ALA 21 N 0.86 -3.31 -1.97 6.09 0.00 -1.26 0.73 120.51 121.64 1xmo n ALA 21 Ca -0.18 -0.38 0.00 0.00 0.00 0.00 0.00 53.44 52.87 1xmo n ALA 21 Cb 0.56 -1.51 0.00 0.00 0.00 0.00 0.00 19.45 18.50 1xmo n ALA 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xmo n GLY 22 N 2.43 -0.36 0.00 0.00 0.00 -1.26 -4.79 105.19 101.21 1xmo n GLY 22 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1xmo n GLY 22 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xmo n GLY 23 N -0.36 1.15 3.23 -0.02 0.00 0.22 -5.11 105.19 104.30 1xmo n GLY 23 Ca 0.00 -0.51 -0.34 0.00 0.00 0.00 0.00 46.02 45.17 1xmo n GLY 23 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1xmo s ARG 24 N -2.00 3.21 -0.04 1.61 1.70 -1.26 0.14 118.95 122.31 1xmo s ARG 24 Ca 0.00 -0.72 -0.02 0.00 -0.47 0.00 0.00 55.73 54.52 1xmo s ARG 24 Cb 0.00 -2.79 -0.04 0.00 -0.57 0.00 0.00 34.95 31.55 1xmo s ARG 24 CO 0.00 -0.17 0.07 1.03 -1.08 0.00 0.00 175.30 175.15 1xmo s ARG 25 N 1.31 3.10 0.31 3.89 1.81 -0.16 -4.94 118.95 124.27 1xmo s ARG 25 Ca 0.04 -0.42 0.08 0.00 -1.72 0.00 0.00 55.73 53.71 1xmo s ARG 25 Cb -0.14 -2.89 -0.03 0.00 -0.45 0.00 0.00 34.95 31.44 1xmo s ARG 25 CO -0.07 0.68 0.19 -0.06 -0.68 0.00 0.00 175.30 175.36 1xmo s PHE 26 N -1.10 2.87 0.32 -0.53 2.99 -1.26 -0.73 117.98 120.54 1xmo s PHE 26 Ca 0.20 -0.27 0.02 0.00 0.00 0.00 0.00 56.93 56.87 1xmo s PHE 26 Cb -0.12 -1.59 -0.02 0.00 0.00 0.00 0.00 43.02 41.30 1xmo s PHE 26 CO 0.10 0.36 0.36 1.03 -0.00 0.00 0.00 175.22 177.07 1xmo s ARG 27 N -3.88 1.77 0.01 0.44 0.52 -1.23 -4.86 118.95 111.72 1xmo s ARG 27 Ca 0.37 -1.84 -0.00 0.00 -0.52 0.00 0.00 55.73 53.74 1xmo s ARG 27 Cb -0.05 0.38 -0.01 0.00 0.52 0.00 0.00 34.95 35.79 1xmo s ARG 27 CO 0.24 -0.69 -0.01 -0.06 0.02 0.00 0.00 175.30 174.80 1xmo s PHE 28 N -3.34 0.10 -0.13 -0.53 0.40 -0.29 -4.10 117.98 110.08 1xmo s PHE 28 Ca 0.35 -0.20 0.01 0.00 -0.60 0.00 0.00 56.93 56.49 1xmo s PHE 28 Cb 0.01 -0.07 -0.00 0.00 0.51 0.00 0.00 43.02 43.47 1xmo s PHE 28 CO 0.22 -0.07 -0.18 0.20 0.70 0.00 0.00 175.22 176.09 1xmo s GLY 29 N -0.57 1.44 -0.15 4.36 0.00 -0.78 -0.51 107.32 111.11 1xmo s GLY 29 Ca -0.06 -0.98 0.02 0.00 0.00 0.00 0.00 44.72 43.69 1xmo s GLY 29 CO -0.00 -0.14 -0.20 0.00 0.00 0.00 0.00 173.10 172.75 1xmo s ALA 30 N 0.55 2.22 -0.22 3.20 0.00 0.06 -2.07 121.76 125.49 1xmo s ALA 30 Ca -0.11 -1.10 -0.09 0.00 0.00 0.00 0.00 51.96 50.66 1xmo s ALA 30 Cb -0.16 -1.06 -0.04 0.00 0.00 0.00 0.00 23.12 21.86 1xmo s ALA 30 CO 0.04 -0.17 0.11 -1.17 0.00 0.00 0.00 175.76 174.57 1xmo s LEU 31 N 1.04 3.87 0.02 0.00 0.20 -0.88 -0.09 118.68 122.84 1xmo s LEU 31 Ca -0.02 0.03 0.03 0.00 0.69 0.00 0.00 54.13 54.86 1xmo s LEU 31 Cb -0.14 -2.02 -0.02 0.00 -0.43 0.00 0.00 46.19 43.58 1xmo s LEU 31 CO -0.07 0.08 -0.08 -0.69 -0.29 0.00 0.00 176.35 175.30 1xmo s VAL 32 N 0.96 0.62 -0.15 1.68 1.01 0.64 -0.94 120.40 124.23 1xmo s VAL 32 Ca 0.06 -0.70 0.02 0.00 0.00 0.00 0.00 61.98 61.35 1xmo s VAL 32 Cb -0.14 -0.59 0.01 0.00 0.00 0.00 0.00 36.38 35.66 1xmo s VAL 32 CO 0.03 -0.08 -0.20 -0.69 0.00 0.00 0.00 175.10 174.16 1xmo s VAL 33 N -0.74 2.20 -0.09 2.92 1.01 0.23 0.23 120.40 126.17 1xmo s VAL 33 Ca -0.02 -0.93 0.04 0.00 0.00 0.00 0.00 61.98 61.07 1xmo s VAL 33 Cb -0.06 -1.89 0.00 0.00 0.00 0.00 0.00 36.38 34.42 1xmo s VAL 33 CO 0.00 0.54 -0.22 0.54 0.00 0.00 0.00 175.10 175.96 1xmo s VAL 34 N 0.85 1.88 0.20 2.92 0.11 -0.07 0.10 120.40 126.39 1xmo s VAL 34 Ca -0.06 -0.93 -0.15 0.00 -2.93 0.00 0.00 61.98 57.91 1xmo s VAL 34 Cb -0.15 -1.63 0.01 0.00 -1.53 0.00 0.00 36.38 33.08 1xmo s VAL 34 CO -0.02 0.52 0.48 -0.83 -3.33 0.00 0.00 175.10 171.92 1xmo s GLY 35 N 0.30 0.12 -0.00 6.54 0.00 0.09 -0.39 107.32 113.99 1xmo s GLY 35 Ca -0.15 -0.47 0.12 0.00 0.00 0.00 0.00 44.72 44.22 1xmo s GLY 35 CO 0.07 -0.42 0.52 2.09 0.00 0.00 0.00 173.10 175.36 1xmo n ASP 36 N -0.33 0.61 0.00 1.64 5.68 -0.83 0.74 116.55 124.06 1xmo n ASP 36 Ca -0.08 -0.78 0.00 0.00 -0.50 0.00 0.00 54.79 53.44 1xmo n ASP 36 Cb 0.62 1.01 0.00 0.00 -1.14 0.00 0.00 41.12 41.61 1xmo n ASP 36 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1xmo n ARG 37 N -1.30 0.00 -1.25 0.11 1.74 -1.05 -4.78 116.66 110.12 1xmo n ARG 37 Ca 0.02 0.00 -0.27 0.00 -0.77 0.00 0.00 57.85 56.84 1xmo n ARG 37 Cb 0.20 -3.32 0.15 0.00 -1.02 0.00 0.00 32.46 28.46 1xmo n ARG 37 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1xmo n GLN 38 N -2.00 2.39 -0.45 5.56 3.00 -1.26 -3.84 117.38 120.78 1xmo n GLN 38 Ca 0.00 -3.13 0.00 0.00 -0.01 0.00 0.00 57.00 53.86 1xmo n GLN 38 Cb 0.00 -2.20 0.00 0.00 0.00 0.00 0.00 30.24 28.04 1xmo n GLN 38 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1xmo n GLY 39 N -1.07 0.77 2.99 1.08 0.00 -0.94 -5.02 105.19 103.00 1xmo n GLY 39 Ca 0.59 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.32 1xmo n GLY 39 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xmo s ARG 40 N -0.55 2.07 0.09 1.61 0.52 -1.26 -0.77 118.95 120.67 1xmo s ARG 40 Ca 0.00 -0.47 0.06 0.00 -0.52 0.00 0.00 55.73 54.80 1xmo s ARG 40 Cb 0.00 -1.94 -0.03 0.00 0.52 0.00 0.00 34.95 33.50 1xmo s ARG 40 CO 0.00 -0.23 -0.15 0.14 0.02 0.00 0.00 175.30 175.08 1xmo s VAL 41 N 1.50 1.26 -0.04 3.52 -7.23 -0.86 -1.97 120.40 116.59 1xmo s VAL 41 Ca 0.04 -1.48 -0.04 0.00 -1.81 0.00 0.00 61.98 58.69 1xmo s VAL 41 Cb -0.13 -1.30 0.01 0.00 0.56 0.00 0.00 36.38 35.53 1xmo s VAL 41 CO -0.09 -0.27 0.11 -0.83 -0.31 0.00 0.00 175.10 173.70 1xmo s GLY 42 N -2.01 -0.08 -0.12 2.32 0.00 0.48 -0.31 107.32 107.60 1xmo s GLY 42 Ca 0.03 0.30 -0.02 0.00 0.00 0.00 0.00 44.72 45.03 1xmo s GLY 42 CO 0.03 0.26 -0.04 -2.27 0.00 0.00 0.00 173.10 171.08 1xmo s LEU 43 N 0.05 3.30 -0.07 0.66 0.20 -1.20 -0.89 118.68 120.73 1xmo s LEU 43 Ca -0.00 -0.05 0.00 0.00 0.69 0.00 0.00 54.13 54.77 1xmo s LEU 43 Cb -0.01 -1.77 0.02 0.00 -0.43 0.00 0.00 46.19 44.00 1xmo s LEU 43 CO 0.00 0.25 -0.04 -0.83 -0.29 0.00 0.00 176.35 175.44 1xmo s GLY 44 N -0.13 0.56 -0.37 7.98 0.00 0.63 -4.10 107.32 111.89 1xmo s GLY 44 Ca 0.03 -0.20 0.01 0.00 0.00 0.00 0.00 44.72 44.55 1xmo s GLY 44 CO 0.02 0.71 0.12 -0.12 0.00 0.00 0.00 173.10 173.83 1xmo s PHE 45 N 1.39 3.68 -0.11 1.90 5.36 -1.26 0.23 117.98 129.17 1xmo s PHE 45 Ca -0.03 -2.72 0.02 0.00 -0.96 0.00 0.00 56.93 53.23 1xmo s PHE 45 Cb -0.13 -3.04 -0.01 0.00 -0.34 0.00 0.00 43.02 39.49 1xmo s PHE 45 CO -0.03 -0.96 -0.17 0.20 -1.46 0.00 0.00 175.22 172.80 1xmo s GLY 46 N 1.32 1.46 0.04 13.12 0.00 0.88 -4.90 107.32 119.24 1xmo s GLY 46 Ca 0.09 -0.93 0.06 0.00 0.00 0.00 0.00 44.72 43.94 1xmo s GLY 46 CO -0.06 -0.32 -0.13 -1.59 0.00 0.00 0.00 173.10 171.01 1xmo s LYS 47 N 0.22 2.25 -0.05 2.90 -2.85 -1.26 -0.76 119.74 120.18 1xmo s LYS 47 Ca -0.11 -0.90 -0.30 0.00 -1.00 0.00 0.00 55.97 53.66 1xmo s LYS 47 Cb -0.16 -2.32 0.11 0.00 -2.06 0.00 0.00 37.83 33.41 1xmo s LYS 47 CO 0.06 0.56 0.95 0.00 0.10 0.00 0.00 175.35 177.02 1xmo s ALA 48 N -1.00 -1.88 0.55 0.59 0.00 0.34 -4.87 121.76 115.49 1xmo s ALA 48 Ca 0.17 1.17 0.24 0.00 0.00 0.00 0.00 51.96 53.54 1xmo s ALA 48 Cb -0.11 0.21 1.45 0.00 0.00 0.00 0.00 23.12 24.67 1xmo s ALA 48 CO 0.07 -0.63 2.07 -1.00 0.00 0.00 0.00 175.76 176.27 1xmo h PRO 49 N 2.06 0.00 -4.97 0.00 0.13 -1.89 -0.77 132.00 126.56 1xmo h PRO 49 Ca -0.19 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.27 1xmo h PRO 49 Cb 1.22 0.00 -0.34 0.00 0.13 0.00 0.00 31.00 32.01 1xmo h PRO 49 CO 0.29 0.00 -0.81 -1.21 -0.23 0.00 0.00 178.00 176.05 1xmo s GLU 50 N -4.90 2.77 0.03 0.86 2.02 -1.26 -4.69 118.70 113.53 1xmo s GLU 50 Ca -0.05 -0.99 -0.06 0.00 0.02 0.00 0.00 54.97 53.89 1xmo s GLU 50 Cb 0.18 -2.78 -0.01 0.00 0.10 0.00 0.00 34.13 31.61 1xmo s GLU 50 CO 0.65 -0.35 0.64 0.28 0.02 0.00 0.00 175.26 176.50 1xmo n VAL 51 N 4.59 -0.13 -0.07 2.63 0.31 -1.26 -0.09 118.33 124.31 1xmo n VAL 51 Ca -0.18 0.99 -0.10 0.00 -0.01 0.00 0.00 64.34 65.03 1xmo n VAL 51 Cb 0.47 -1.27 -0.04 0.00 -0.91 0.00 0.00 33.84 32.09 1xmo n VAL 51 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 1xmo h PRO 52 N 0.00 -0.36 -0.26 5.55 0.11 -1.96 1.03 132.00 136.11 1xmo h PRO 52 Ca 0.03 0.02 0.07 0.00 0.11 0.00 0.00 66.00 66.24 1xmo h PRO 52 Cb 0.08 0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.26 1xmo h PRO 52 CO -0.18 -0.24 0.54 1.25 -0.21 0.00 0.00 178.00 179.15 1xmo h LEU 53 N -0.38 0.00 0.00 2.35 6.46 -0.89 0.49 115.31 123.34 1xmo h LEU 53 Ca 0.12 0.00 -0.03 0.00 -0.12 0.00 0.00 57.88 57.85 1xmo h LEU 53 Cb 0.58 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 40.51 1xmo h LEU 53 CO -0.48 0.00 -0.20 0.00 -0.62 0.00 0.00 178.44 177.14 1xmo h ALA 54 N 1.16 0.03 -0.16 1.25 0.00 0.30 -1.18 119.26 120.67 1xmo h ALA 54 Ca 0.12 -0.38 0.04 0.00 0.00 0.00 0.00 54.91 54.69 1xmo h ALA 54 Cb 1.20 0.14 -0.07 0.00 0.00 0.00 0.00 17.79 19.06 1xmo h ALA 54 CO -0.00 0.13 -0.42 0.28 0.00 0.00 0.00 179.25 179.24 1xmo h VAL 55 N -1.00 0.14 -0.29 0.00 2.07 0.21 2.04 116.25 119.42 1xmo h VAL 55 Ca -0.04 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.53 1xmo h VAL 55 Cb 0.59 0.14 -0.04 0.00 -1.52 0.00 0.00 31.29 30.45 1xmo h VAL 55 CO -0.02 0.00 0.02 1.56 0.02 0.00 0.00 177.57 179.14 1xmo h GLN 56 N -0.48 0.11 -0.88 1.57 1.08 -0.31 0.29 115.11 116.48 1xmo h GLN 56 Ca 0.08 -0.01 0.06 0.00 -1.45 0.00 0.00 58.65 57.33 1xmo h GLN 56 Cb 0.62 -0.02 -0.06 0.00 -0.05 0.00 0.00 27.48 27.97 1xmo h GLN 56 CO -0.42 0.07 0.57 -0.22 -0.95 0.00 0.00 178.83 177.89 1xmo h LYS 57 N 0.11 0.99 0.78 1.46 3.64 0.14 -1.88 116.57 121.81 1xmo h LYS 57 Ca 0.14 -0.06 -0.04 0.00 -1.27 0.00 0.00 60.65 59.42 1xmo h LYS 57 Cb 0.17 -0.22 0.01 0.00 -0.41 0.00 0.00 32.23 31.77 1xmo h LYS 57 CO -0.21 0.66 -0.38 0.00 -2.27 0.00 0.00 179.45 177.25 1xmo h ALA 58 N 1.51 -1.23 -0.90 5.00 0.00 0.54 -2.88 119.26 121.31 1xmo h ALA 58 Ca 0.37 -0.23 0.15 0.00 0.00 0.00 0.00 54.91 55.20 1xmo h ALA 58 Cb 0.16 0.41 -0.15 0.00 0.00 0.00 0.00 17.79 18.20 1xmo h ALA 58 CO -0.13 -1.15 -0.35 0.78 0.00 0.00 0.00 179.25 178.40 1xmo h GLY 59 N -1.10 0.13 -0.29 0.00 0.00 -0.19 0.53 103.07 102.15 1xmo h GLY 59 Ca -0.11 0.47 0.16 0.00 0.00 0.00 0.00 47.33 47.85 1xmo h GLY 59 CO 0.18 -0.23 0.00 -1.82 0.00 0.00 0.00 176.54 174.67 1xmo h TYR 60 N -0.03 -0.05 -0.48 5.60 3.20 -1.26 0.67 116.97 124.61 1xmo h TYR 60 Ca 0.34 0.05 -0.04 0.00 3.14 0.00 0.00 58.73 62.22 1xmo h TYR 60 Cb 0.60 0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.98 1xmo h TYR 60 CO -0.80 -0.22 0.12 1.88 -1.64 0.00 0.00 178.16 177.49 1xmo h TYR 61 N 0.11 0.74 0.29 -3.82 0.05 0.18 -2.29 116.97 112.22 1xmo h TYR 61 Ca 0.39 -0.06 -0.00 0.00 0.05 0.00 0.00 58.73 59.11 1xmo h TYR 61 Cb 0.68 -0.22 -0.03 0.00 1.01 0.00 0.00 36.73 38.17 1xmo h TYR 61 CO -0.41 0.63 -0.47 0.00 -1.05 0.00 0.00 178.16 176.86 1xmo h ALA 62 N 1.43 -1.04 -0.64 3.88 0.00 0.22 -1.08 119.26 122.03 1xmo h ALA 62 Ca 0.16 -0.14 0.13 0.00 0.00 0.00 0.00 54.91 55.06 1xmo h ALA 62 Cb 0.26 0.77 -0.12 0.00 0.00 0.00 0.00 17.79 18.70 1xmo h ALA 62 CO -0.00 -1.11 -0.10 0.00 0.00 0.00 0.00 179.25 178.04 1xmo h ARG 63 N -0.80 0.04 0.00 0.00 -0.00 -0.95 0.41 114.38 113.07 1xmo h ARG 63 Ca -0.03 -0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.44 1xmo h ARG 63 Cb 0.74 -0.01 0.00 0.00 0.00 0.00 0.00 29.97 30.70 1xmo h ARG 63 CO -0.15 0.02 0.11 0.00 0.00 0.00 0.00 179.97 179.95 1xmo h ARG 64 N 0.04 0.00 -4.35 0.04 2.47 -0.79 -3.34 114.38 108.44 1xmo h ARG 64 Ca 0.32 0.00 -0.66 0.00 -1.26 0.00 0.00 59.98 58.38 1xmo h ARG 64 Cb 0.51 0.00 -0.40 0.00 -1.65 0.00 0.00 29.97 28.43 1xmo h ARG 64 CO -0.62 0.00 -0.69 1.21 0.56 0.00 0.00 179.97 180.43 1xmo s ASN 65 N -4.72 4.68 -0.03 7.04 2.47 0.14 -5.09 114.94 119.44 1xmo s ASN 65 Ca -0.04 -2.37 0.07 0.00 0.42 0.00 0.00 52.86 50.93 1xmo s ASN 65 Cb 0.10 -1.64 -0.02 0.00 -1.45 0.00 0.00 41.25 38.24 1xmo s ASN 65 CO 0.33 -0.35 -0.22 -0.04 -3.72 0.00 0.00 177.10 173.10 1xmo s MET 66 N 0.61 2.26 0.00 0.43 -1.94 -1.26 -3.26 119.30 116.14 1xmo s MET 66 Ca 0.12 -0.86 0.07 0.00 -1.71 0.00 0.00 55.69 53.32 1xmo s MET 66 Cb -0.21 -2.15 -0.02 0.00 2.01 0.00 0.00 34.83 34.46 1xmo s MET 66 CO -0.06 0.57 -0.22 0.08 -0.01 0.00 0.00 175.02 175.38 1xmo s VAL 67 N -0.62 1.76 -0.40 -6.03 1.01 0.58 -5.00 120.40 111.69 1xmo s VAL 67 Ca 0.10 -1.05 -0.12 0.00 0.00 0.00 0.00 61.98 60.91 1xmo s VAL 67 Cb -0.10 -1.48 0.04 0.00 0.00 0.00 0.00 36.38 34.83 1xmo s VAL 67 CO -0.00 0.41 0.26 -0.70 0.00 0.00 0.00 175.10 175.07 1xmo s GLU 68 N -0.74 2.84 -0.48 2.72 2.56 -1.26 -2.02 118.70 122.32 1xmo s GLU 68 Ca 0.09 -1.16 -0.24 0.00 0.00 0.00 0.00 54.97 53.65 1xmo s GLU 68 Cb -0.09 -3.85 0.03 0.00 2.00 0.00 0.00 34.13 32.22 1xmo s GLU 68 CO 0.00 -0.79 0.89 0.08 -0.56 0.00 0.00 175.26 174.87 1xmo s VAL 69 N 1.58 4.50 -0.09 3.70 1.01 0.05 -4.91 120.40 126.24 1xmo s VAL 69 Ca 0.03 0.54 -0.29 0.00 0.00 0.00 0.00 61.98 62.26 1xmo s VAL 69 Cb -0.20 -4.43 -0.34 0.00 0.00 0.00 0.00 36.38 31.41 1xmo s VAL 69 CO 0.07 -0.87 1.61 -2.65 0.00 0.00 0.00 175.10 173.26 1xmo n PRO 70 N 7.10 0.17 -0.71 2.72 -0.02 -1.26 -4.72 135.00 138.28 1xmo n PRO 70 Ca 0.04 -1.08 -0.31 0.00 -2.02 0.00 0.00 63.50 60.13 1xmo n PRO 70 Cb 0.48 -2.53 0.17 0.00 -0.02 0.00 0.00 33.50 31.60 1xmo n PRO 70 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1xmo s LEU 71 N 0.12 2.74 -0.44 2.45 1.43 -1.26 -4.06 118.68 119.66 1xmo s LEU 71 Ca 0.66 2.14 0.08 0.00 -1.03 0.00 0.00 54.13 55.97 1xmo s LEU 71 Cb 0.15 -4.50 0.18 0.00 0.03 0.00 0.00 46.19 42.05 1xmo s LEU 71 CO 0.31 -3.13 0.66 -1.10 0.23 0.00 0.00 176.35 173.32 1xmo s GLN 72 N -4.65 0.89 -0.45 1.70 -0.21 0.26 -4.88 119.66 112.33 1xmo s GLN 72 Ca 0.67 -0.50 0.00 0.00 0.02 0.00 0.00 55.36 55.55 1xmo s GLN 72 Cb -0.23 0.05 0.00 0.00 1.00 0.00 0.00 33.01 33.83 1xmo s GLN 72 CO 0.58 -1.23 0.00 -1.71 -2.12 0.00 0.00 175.29 170.81 1xmo n ASN 73 N 4.00 -2.91 0.00 5.90 4.05 -1.26 -2.96 115.26 122.08 1xmo n ASN 73 Ca 0.13 0.06 0.00 0.00 0.45 0.00 0.00 54.58 55.22 1xmo n ASN 73 Cb 0.57 -1.46 0.00 0.00 1.23 0.00 0.00 39.78 40.11 1xmo n ASN 73 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1xmo n GLY 74 N -1.80 0.70 3.38 8.20 0.00 -1.26 -4.85 105.19 109.56 1xmo n GLY 74 Ca -0.05 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.78 1xmo n GLY 74 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1xmo s THR 75 N -2.54 1.39 0.49 2.61 -1.32 -1.16 0.72 115.64 115.83 1xmo s THR 75 Ca 0.00 -2.09 -0.19 0.00 -1.21 0.00 0.00 61.69 58.21 1xmo s THR 75 Cb 0.00 -2.37 -0.09 0.00 -1.51 0.00 0.00 72.50 68.53 1xmo s THR 75 CO 0.00 -0.34 0.98 -0.63 -2.21 0.00 0.00 174.62 172.43 1xmo s ILE 76 N -3.18 4.33 -2.00 5.08 1.09 -1.26 -0.57 121.20 124.69 1xmo s ILE 76 Ca 0.28 1.28 0.07 0.00 -1.10 0.00 0.00 60.65 61.18 1xmo s ILE 76 Cb 0.04 -3.61 0.19 0.00 -1.06 0.00 0.00 42.46 38.02 1xmo s ILE 76 CO 0.10 -0.48 0.80 -0.81 -0.10 0.00 0.00 174.94 174.45 1xmo n PRO 77 N -1.19 0.31 -3.97 2.79 -0.04 -1.26 -4.70 135.00 126.95 1xmo n PRO 77 Ca 0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 1xmo n PRO 77 Cb 0.54 -1.33 0.00 0.00 -0.04 0.00 0.00 33.50 32.66 1xmo n PRO 77 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 1xmo n HIS 78 N -0.83 0.00 -3.78 0.54 1.44 -1.26 -4.99 115.22 106.34 1xmo n HIS 78 Ca 0.05 0.00 -0.29 0.00 -2.01 0.00 0.00 57.72 55.47 1xmo n HIS 78 Cb 0.02 0.00 -0.04 0.00 0.12 0.00 0.00 29.99 30.10 1xmo n HIS 78 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 1xmo s GLU 79 N -1.93 3.51 -0.18 -1.40 8.01 -1.25 -4.11 118.70 121.34 1xmo s GLU 79 Ca 0.00 -0.34 -0.18 0.00 0.01 0.00 0.00 54.97 54.45 1xmo s GLU 79 Cb 0.00 -2.91 0.05 0.00 -4.31 0.00 0.00 34.13 26.96 1xmo s GLU 79 CO 0.00 0.48 0.51 0.96 0.01 0.00 0.00 175.26 177.23 1xmo s ILE 80 N -1.72 0.00 -0.48 -1.63 -5.25 -0.60 -5.00 121.20 106.52 1xmo s ILE 80 Ca 0.38 -0.02 0.03 0.00 -0.99 0.00 0.00 60.65 60.05 1xmo s ILE 80 Cb -0.12 -0.73 0.13 0.00 2.95 0.00 0.00 42.46 44.70 1xmo s ILE 80 CO 0.28 -0.01 0.25 -1.61 -1.79 0.00 0.00 174.94 172.05 1xmo s GLU 81 N 0.15 1.65 -0.16 0.37 2.02 -1.26 -1.45 118.70 120.02 1xmo s GLU 81 Ca -0.01 -2.33 -0.18 0.00 0.02 0.00 0.00 54.97 52.47 1xmo s GLU 81 Cb -0.04 -2.86 -0.04 0.00 0.10 0.00 0.00 34.13 31.30 1xmo s GLU 81 CO 0.01 -1.13 0.46 0.54 0.02 0.00 0.00 175.26 175.16 1xmo s VAL 82 N 0.02 5.18 -0.43 2.63 0.11 -0.63 -4.91 120.40 122.36 1xmo s VAL 82 Ca 0.17 0.88 -0.12 0.00 -2.93 0.00 0.00 61.98 59.99 1xmo s VAL 82 Cb -0.25 -3.80 0.07 0.00 -1.53 0.00 0.00 36.38 30.87 1xmo s VAL 82 CO 0.00 0.28 0.30 -1.83 -3.33 0.00 0.00 175.10 170.51 1xmo s GLU 83 N 1.01 2.76 -0.46 1.54 -1.05 -1.26 -0.85 118.70 120.39 1xmo s GLU 83 Ca 0.24 -1.37 -0.12 0.00 -0.15 0.00 0.00 54.97 53.57 1xmo s GLU 83 Cb -0.15 -3.89 0.09 0.00 -0.44 0.00 0.00 34.13 29.74 1xmo s GLU 83 CO 0.09 -0.94 0.35 0.12 0.95 0.00 0.00 175.26 175.83 1xmo s PHE 84 N 1.52 3.32 0.00 4.83 5.36 0.13 -4.94 117.98 128.19 1xmo s PHE 84 Ca 0.03 -1.41 0.00 0.00 -0.96 0.00 0.00 56.93 54.59 1xmo s PHE 84 Cb -0.23 -3.25 0.00 0.00 -0.34 0.00 0.00 43.02 39.21 1xmo s PHE 84 CO 0.04 -0.89 0.00 0.41 -1.46 0.00 0.00 175.22 173.32 1xmo n GLY 85 N 5.04 2.63 0.09 13.12 0.00 -1.26 -1.79 105.19 123.01 1xmo n GLY 85 Ca -0.11 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.88 1xmo n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xmo n ALA 86 N 10.25 1.79 -1.94 4.61 0.00 -1.26 -4.91 120.51 129.06 1xmo n ALA 86 Ca 0.00 -0.67 -0.35 0.00 0.00 0.00 0.00 53.44 52.43 1xmo n ALA 86 Cb 0.00 -0.86 -0.06 0.00 0.00 0.00 0.00 19.45 18.52 1xmo n ALA 86 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1xmo s SER 87 N -5.81 7.04 -0.05 0.00 0.01 -0.74 -2.78 113.70 111.37 1xmo s SER 87 Ca -0.04 1.59 0.00 0.00 1.31 0.00 0.00 55.95 58.81 1xmo s SER 87 Cb 0.08 -2.49 0.02 0.00 0.21 0.00 0.00 66.02 63.85 1xmo s SER 87 CO 0.82 -0.16 -0.03 -0.75 0.41 0.00 0.00 173.24 173.53 1xmo s LYS 88 N -2.56 0.79 0.04 12.44 2.20 0.89 0.22 119.74 133.76 1xmo s LYS 88 Ca 0.53 -0.06 0.07 0.00 -0.36 0.00 0.00 55.97 56.15 1xmo s LYS 88 Cb -0.14 -0.88 -0.03 0.00 -1.51 0.00 0.00 37.83 35.27 1xmo s LYS 88 CO 0.19 -0.14 -0.16 -1.50 -0.36 0.00 0.00 175.35 173.38 1xmo s ILE 89 N 1.18 2.93 -0.07 5.43 -1.16 -0.03 -0.04 121.20 129.44 1xmo s ILE 89 Ca -0.07 -1.13 0.01 0.00 -0.51 0.00 0.00 60.65 58.95 1xmo s ILE 89 Cb -0.14 -2.25 0.02 0.00 0.61 0.00 0.00 42.46 40.70 1xmo s ILE 89 CO -0.01 0.34 -0.08 -0.69 -2.81 0.00 0.00 174.94 171.68 1xmo s VAL 90 N -0.95 0.89 -0.05 4.00 1.01 -0.67 -1.61 120.40 123.02 1xmo s VAL 90 Ca 0.15 -0.29 0.03 0.00 0.00 0.00 0.00 61.98 61.88 1xmo s VAL 90 Cb -0.11 -0.87 0.00 0.00 0.00 0.00 0.00 36.38 35.41 1xmo s VAL 90 CO 0.06 0.32 -0.15 -0.76 0.00 0.00 0.00 175.10 174.57 1xmo s LEU 91 N 1.10 1.81 0.02 3.92 1.43 -0.53 -0.59 118.68 125.85 1xmo s LEU 91 Ca -0.07 -0.32 0.06 0.00 -1.03 0.00 0.00 54.13 52.76 1xmo s LEU 91 Cb -0.14 -0.89 -0.02 0.00 0.03 0.00 0.00 46.19 45.17 1xmo s LEU 91 CO -0.01 0.10 -0.17 -0.54 0.23 0.00 0.00 176.35 175.96 1xmo s LYS 92 N 0.31 1.19 0.97 1.70 1.02 0.25 -1.56 119.74 123.61 1xmo s LYS 92 Ca -0.09 -0.75 -0.14 0.00 0.02 0.00 0.00 55.97 55.02 1xmo s LYS 92 Cb -0.13 -1.21 0.17 0.00 -0.52 0.00 0.00 37.83 36.14 1xmo s LYS 92 CO 0.03 0.31 1.15 -1.25 -0.92 0.00 0.00 175.35 174.67 1xmo s PRO 93 N -0.89 0.68 0.15 -1.68 0.04 -1.26 0.20 135.00 132.24 1xmo s PRO 93 Ca 0.05 0.20 -0.21 0.00 0.04 0.00 0.00 61.00 61.08 1xmo s PRO 93 Cb -0.08 -1.79 0.06 0.00 0.04 0.00 0.00 34.50 32.73 1xmo s PRO 93 CO 0.01 -2.50 0.55 0.00 0.04 0.00 0.00 177.00 175.11 1xmo s ALA 94 N -3.26 -1.44 0.56 8.56 0.00 -1.19 -4.39 121.76 120.60 1xmo s ALA 94 Ca 0.66 0.35 -0.14 0.00 0.00 0.00 0.00 51.96 52.83 1xmo s ALA 94 Cb -0.14 0.84 -0.06 0.00 0.00 0.00 0.00 23.12 23.76 1xmo s ALA 94 CO 0.54 -0.74 1.00 0.00 0.00 0.00 0.00 175.76 176.56 1xmo s ALA 95 N -3.76 3.08 0.27 0.00 0.00 -1.26 -4.76 121.76 115.32 1xmo s ALA 95 Ca 0.02 0.08 -0.28 0.00 0.00 0.00 0.00 51.96 51.78 1xmo s ALA 95 Cb -0.00 -3.10 -0.15 0.00 0.00 0.00 0.00 23.12 19.86 1xmo s ALA 95 CO -0.13 -0.42 0.84 -2.30 0.00 0.00 0.00 175.76 173.76 1xmo n PRO 96 N -2.03 0.93 0.00 0.00 -0.02 -1.26 -2.40 135.00 130.21 1xmo n PRO 96 Ca 0.06 0.33 0.00 0.00 -2.02 0.00 0.00 63.50 61.87 1xmo n PRO 96 Cb 0.54 -1.59 0.00 0.00 -0.02 0.00 0.00 33.50 32.43 1xmo n PRO 96 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xmo n GLY 97 N 1.47 3.00 0.35 -1.23 0.00 -1.26 -4.90 105.19 102.62 1xmo n GLY 97 Ca 0.12 -0.18 -0.11 0.00 0.00 0.00 0.00 46.02 45.84 1xmo n GLY 97 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1xmo h THR 98 N 0.00 0.00 0.00 2.61 2.02 -1.77 -3.48 112.91 112.29 1xmo h THR 98 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1xmo h THR 98 Cb 0.00 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.41 1xmo h THR 98 CO 0.00 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.50 1xmo n GLY 99 N -1.32 -1.02 3.31 2.16 0.00 -1.08 -4.75 105.19 102.48 1xmo n GLY 99 Ca -0.05 -2.14 -0.45 0.00 0.00 0.00 0.00 46.02 43.39 1xmo n GLY 99 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xmo s VAL 100 N 0.00 5.63 -0.72 1.61 1.01 -1.23 -0.21 120.40 126.49 1xmo s VAL 100 Ca 0.00 -3.05 -0.21 0.00 0.00 0.00 0.00 61.98 58.72 1xmo s VAL 100 Cb 0.00 -4.43 0.09 0.00 0.00 0.00 0.00 36.38 32.04 1xmo s VAL 100 CO 0.00 -1.10 0.97 -0.63 0.00 0.00 0.00 175.10 174.34 1xmo s ILE 101 N -0.64 4.50 0.15 2.22 1.01 -1.08 -4.96 121.20 122.41 1xmo s ILE 101 Ca 0.25 -0.78 -0.24 0.00 0.00 0.00 0.00 60.65 59.87 1xmo s ILE 101 Cb -0.10 -4.68 0.06 0.00 0.01 0.00 0.00 42.46 37.75 1xmo s ILE 101 CO -0.09 -1.43 0.79 0.00 0.00 0.00 0.00 174.94 174.22 1xmo s ALA 102 N 3.50 -1.58 0.94 9.38 0.00 -1.26 -1.86 121.76 130.87 1xmo s ALA 102 Ca 0.23 0.35 -0.12 0.00 0.00 0.00 0.00 51.96 52.42 1xmo s ALA 102 Cb -0.15 0.70 0.15 0.00 0.00 0.00 0.00 23.12 23.83 1xmo s ALA 102 CO 0.04 -0.88 1.09 0.20 0.00 0.00 0.00 175.76 176.22 1xmo s GLY 103 N -2.77 1.60 0.16 0.00 0.00 -1.26 -4.67 107.32 100.37 1xmo s GLY 103 Ca 0.07 -0.19 -0.15 0.00 0.00 0.00 0.00 44.72 44.45 1xmo s GLY 103 CO -0.04 0.35 1.76 0.00 0.00 0.00 0.00 173.10 175.18 1xmo h ALA 104 N -1.70 0.50 -0.12 3.20 0.00 -2.00 -0.24 119.26 118.91 1xmo h ALA 104 Ca -0.52 0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.47 1xmo h ALA 104 Cb 1.30 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 19.01 1xmo h ALA 104 CO 0.56 -0.20 -0.36 0.28 0.00 0.00 0.00 179.25 179.53 1xmo h VAL 105 N 0.36 0.23 -0.26 0.00 2.07 -1.95 0.21 116.25 116.92 1xmo h VAL 105 Ca 0.19 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.64 1xmo h VAL 105 Cb 0.13 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 30.12 1xmo h VAL 105 CO -0.16 0.00 -0.10 -0.65 0.02 0.00 0.00 177.57 176.68 1xmo h PRO 106 N -0.45 0.42 0.00 1.57 0.11 -1.90 -2.78 132.00 128.97 1xmo h PRO 106 Ca 0.08 -0.11 0.00 0.00 0.11 0.00 0.00 66.00 66.09 1xmo h PRO 106 Cb 0.58 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.64 1xmo h PRO 106 CO -0.36 0.53 0.00 -2.13 -0.21 0.00 0.00 178.00 175.83 1xmo n ARG 107 N -4.24 0.00 0.00 1.05 0.63 -0.11 0.06 116.66 114.05 1xmo n ARG 107 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1xmo n ARG 107 Cb 0.29 -0.78 0.00 0.00 0.45 0.00 0.00 32.46 32.42 1xmo n ARG 107 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1xmo n ALA 108 N -1.46 0.00 0.34 5.13 0.00 0.61 0.19 120.51 125.32 1xmo n ALA 108 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.26 1xmo n ALA 108 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.36 1xmo n ALA 108 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1xmo h ILE 109 N 0.00 0.25 -0.40 0.00 2.04 -1.51 -1.66 117.51 116.23 1xmo h ILE 109 Ca 0.00 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.94 1xmo h ILE 109 Cb 0.00 0.25 -0.09 0.00 -0.74 0.00 0.00 36.82 36.24 1xmo h ILE 109 CO 0.00 0.00 -0.21 -0.07 0.00 0.00 0.00 178.15 177.87 1xmo h LEU 110 N -0.91 -0.70 0.08 1.44 3.38 0.61 -0.59 115.31 118.62 1xmo h LEU 110 Ca -0.07 0.16 0.02 0.00 0.09 0.00 0.00 57.88 58.07 1xmo h LEU 110 Cb 0.74 0.37 -0.03 0.00 0.09 0.00 0.00 40.66 41.83 1xmo h LEU 110 CO 0.08 -0.24 -0.20 -0.33 0.09 0.00 0.00 178.44 177.84 1xmo h GLU 111 N -0.13 -0.35 0.00 1.13 5.08 -0.91 0.80 114.58 120.20 1xmo h GLU 111 Ca 0.20 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 1xmo h GLU 111 Cb 0.44 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1xmo h GLU 111 CO -0.48 -0.23 0.00 1.28 -1.00 0.00 0.00 179.01 178.58 1xmo n LEU 112 N -5.32 0.00 -0.01 1.33 7.99 -0.63 0.42 117.00 120.78 1xmo n LEU 112 Ca -0.06 0.23 0.11 0.00 -0.01 0.00 0.00 56.01 56.28 1xmo n LEU 112 Cb 0.24 -0.23 0.02 0.00 -0.11 0.00 0.00 43.42 43.34 1xmo n LEU 112 CO 0.26 -0.20 0.15 0.00 -1.51 0.00 0.00 177.39 176.09 1xmo n ALA 113 N -1.23 4.28 -0.97 -1.18 0.00 0.26 -2.53 120.51 119.14 1xmo n ALA 113 Ca 0.02 -0.51 0.00 0.00 0.00 0.00 0.00 53.44 52.95 1xmo n ALA 113 Cb 0.03 -0.90 0.00 0.00 0.00 0.00 0.00 19.45 18.57 1xmo n ALA 113 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xmo n GLY 114 N 1.50 1.10 3.93 0.00 0.00 0.17 -2.23 105.19 109.66 1xmo n GLY 114 Ca 0.05 -0.47 -0.26 0.00 0.00 0.00 0.00 46.02 45.33 1xmo n GLY 114 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xmo s VAL 115 N -2.00 5.21 0.00 1.61 1.01 -1.11 -4.73 120.40 120.40 1xmo s VAL 115 Ca 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 61.98 61.52 1xmo s VAL 115 Cb 0.00 -3.76 0.00 0.00 0.00 0.00 0.00 36.38 32.62 1xmo s VAL 115 CO 0.00 -0.21 0.00 0.41 0.00 0.00 0.00 175.10 175.30 1xmo n THR 116 N -0.82 0.00 -3.57 3.92 -1.04 0.22 -4.56 114.28 108.44 1xmo n THR 116 Ca -0.05 0.00 -0.29 0.00 -2.04 0.00 0.00 64.05 61.67 1xmo n THR 116 Cb 0.54 0.36 -0.14 0.00 -1.82 0.00 0.00 70.33 69.27 1xmo n THR 116 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 1xmo s ASP 117 N 0.00 3.49 -0.09 8.00 1.01 -0.67 -2.65 116.67 125.76 1xmo s ASP 117 Ca 0.00 -1.68 -0.16 0.00 0.71 0.00 0.00 52.55 51.42 1xmo s ASP 117 Cb 0.00 -0.50 0.04 0.00 1.01 0.00 0.00 42.92 43.46 1xmo s ASP 117 CO 0.00 -0.39 0.39 -0.51 0.21 0.00 0.00 175.17 174.87 1xmo s ILE 118 N 1.62 0.02 -0.16 0.77 2.07 0.70 -3.14 121.20 123.10 1xmo s ILE 118 Ca 0.12 -0.19 -0.05 0.00 -1.41 0.00 0.00 60.65 59.12 1xmo s ILE 118 Cb -0.19 -0.62 -0.03 0.00 0.13 0.00 0.00 42.46 41.75 1xmo s ILE 118 CO -0.22 -0.11 -0.00 -0.76 -1.91 0.00 0.00 174.94 171.94 1xmo s LEU 119 N -0.53 3.47 0.06 8.50 1.43 0.54 -2.63 118.68 129.54 1xmo s LEU 119 Ca -0.06 -0.03 0.05 0.00 -1.03 0.00 0.00 54.13 53.06 1xmo s LEU 119 Cb -0.04 -1.85 -0.03 0.00 0.03 0.00 0.00 46.19 44.31 1xmo s LEU 119 CO 0.03 0.19 -0.14 -0.89 0.23 0.00 0.00 176.35 175.77 1xmo s THR 120 N 0.23 1.13 -0.19 5.49 2.01 -0.78 0.88 115.64 124.41 1xmo s THR 120 Ca -0.00 -1.23 -0.06 0.00 0.31 0.00 0.00 61.69 60.70 1xmo s THR 120 Cb -0.13 -1.07 0.09 0.00 0.01 0.00 0.00 72.50 71.40 1xmo s THR 120 CO 0.02 -0.16 0.40 -0.75 -0.69 0.00 0.00 174.62 173.44 1xmo s LYS 121 N -1.59 0.30 0.03 4.92 2.47 0.25 -4.70 119.74 121.42 1xmo s LYS 121 Ca -0.01 0.99 -0.26 0.00 -1.56 0.00 0.00 55.97 55.13 1xmo s LYS 121 Cb -0.09 0.26 -0.05 0.00 -1.46 0.00 0.00 37.83 36.49 1xmo s LYS 121 CO 0.02 -0.27 0.80 -1.21 0.16 0.00 0.00 175.35 174.85 1xmo s GLU 122 N 2.59 4.51 0.02 4.03 2.02 -1.26 -1.67 118.70 128.95 1xmo s GLU 122 Ca -0.01 1.11 0.01 0.00 0.02 0.00 0.00 54.97 56.10 1xmo s GLU 122 Cb -0.12 -3.39 -0.02 0.00 0.10 0.00 0.00 34.13 30.70 1xmo s GLU 122 CO -0.12 0.20 -0.05 -0.51 0.02 0.00 0.00 175.26 174.80 1xmo s LEU 123 N 0.23 2.21 0.00 1.80 1.43 0.94 -5.02 118.68 120.27 1xmo s LEU 123 Ca 0.41 -0.45 0.00 0.00 -1.03 0.00 0.00 54.13 53.06 1xmo s LEU 123 Cb -0.20 -0.03 0.00 0.00 0.03 0.00 0.00 46.19 45.99 1xmo s LEU 123 CO 0.23 -0.22 0.00 0.61 0.23 0.00 0.00 176.35 177.21 1xmo n GLY 124 N 1.77 -1.89 3.46 -3.19 0.00 -1.26 -0.08 105.19 104.00 1xmo n GLY 124 Ca -0.22 -1.62 -0.48 0.00 0.00 0.00 0.00 46.02 43.70 1xmo n GLY 124 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1xmo n SER 125 N 0.52 2.00 -0.92 1.61 3.41 -1.12 -4.76 113.62 114.38 1xmo n SER 125 Ca 0.00 0.28 0.00 0.00 -0.26 0.00 0.00 58.87 58.89 1xmo n SER 125 Cb 0.00 -1.28 0.00 0.00 -0.26 0.00 0.00 64.21 62.67 1xmo n SER 125 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1xmo n ARG 126 N 8.34 0.79 -1.72 4.33 1.74 -1.26 -3.88 116.66 124.99 1xmo n ARG 126 Ca 0.43 0.00 -0.43 0.00 -0.77 0.00 0.00 57.85 57.08 1xmo n ARG 126 Cb 0.25 -1.15 -0.02 0.00 -1.02 0.00 0.00 32.46 30.52 1xmo n ARG 126 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1xmo n ASN 127 N 0.52 3.64 0.06 0.55 2.85 -1.26 -4.87 115.26 116.76 1xmo n ASN 127 Ca 0.00 1.13 -0.03 0.00 -0.11 0.00 0.00 54.58 55.57 1xmo n ASN 127 Cb 0.36 -1.55 -0.01 0.00 1.24 0.00 0.00 39.78 39.82 1xmo n ASN 127 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1xmo h PRO 128 N 5.14 -0.16 -1.59 1.20 0.13 -1.99 0.05 132.00 134.78 1xmo h PRO 128 Ca -0.46 0.01 0.46 0.00 -0.87 0.00 0.00 66.00 65.15 1xmo h PRO 128 Cb 1.23 0.04 -0.06 0.00 0.13 0.00 0.00 31.00 32.33 1xmo h PRO 128 CO 0.82 -0.11 1.23 -0.89 -0.23 0.00 0.00 178.00 178.83 1xmo n ILE 129 N -2.53 0.00 -0.02 -3.56 -0.00 -1.26 0.11 119.36 112.09 1xmo n ILE 129 Ca -0.02 1.28 0.00 0.00 -0.00 0.00 0.00 62.75 64.01 1xmo n ILE 129 Cb 0.07 -2.17 -0.13 0.00 -0.00 0.00 0.00 39.64 37.41 1xmo n ILE 129 CO 0.00 0.00 0.00 0.59 -0.00 0.00 0.00 176.55 177.14 1xmo n ASN 130 N -3.56 0.36 -0.09 4.38 3.02 -1.12 -3.50 115.26 114.74 1xmo n ASN 130 Ca 0.36 0.16 -0.14 0.00 -0.03 0.00 0.00 54.58 54.92 1xmo n ASN 130 Cb 1.71 0.92 -0.04 0.00 -0.61 0.00 0.00 39.78 41.77 1xmo n ASN 130 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 1xmo h ILE 131 N 0.00 1.28 0.13 2.41 1.08 0.28 -1.65 117.51 121.03 1xmo h ILE 131 Ca -0.24 -1.64 0.00 0.00 -0.39 0.00 0.00 64.86 62.60 1xmo h ILE 131 Cb 1.63 1.57 -0.02 0.00 -3.07 0.00 0.00 36.82 36.93 1xmo h ILE 131 CO 0.03 0.54 -0.28 0.00 -0.69 0.00 0.00 178.15 177.74 1xmo h ALA 132 N 0.70 -0.85 -1.00 1.87 0.00 -1.30 0.41 119.26 119.09 1xmo h ALA 132 Ca 0.03 -0.07 0.26 0.00 0.00 0.00 0.00 54.91 55.12 1xmo h ALA 132 Cb 1.06 0.64 -0.13 0.00 0.00 0.00 0.00 17.79 19.36 1xmo h ALA 132 CO 0.11 -0.90 0.59 1.88 0.00 0.00 0.00 179.25 180.92 1xmo h TYR 133 N -0.45 1.00 0.49 0.00 0.99 -1.59 0.21 116.97 117.63 1xmo h TYR 133 Ca -0.01 0.04 -0.02 0.00 2.00 0.00 0.00 58.73 60.74 1xmo h TYR 133 Cb 0.43 -0.29 -0.01 0.00 1.00 0.00 0.00 36.73 37.86 1xmo h TYR 133 CO -0.32 0.03 -0.34 0.00 -0.00 0.00 0.00 178.16 177.54 1xmo h ALA 134 N 1.75 -0.82 -0.26 3.88 0.00 -0.11 -1.34 119.26 122.36 1xmo h ALA 134 Ca 0.66 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 55.45 1xmo h ALA 134 Cb 1.29 0.44 -0.06 0.00 0.00 0.00 0.00 17.79 19.46 1xmo h ALA 134 CO -0.49 -0.98 -0.44 1.15 0.00 0.00 0.00 179.25 178.49 1xmo h THR 135 N -0.81 0.00 -0.88 0.00 2.02 0.17 1.08 112.91 114.50 1xmo h THR 135 Ca -0.05 0.00 0.23 0.00 0.77 0.00 0.00 66.41 67.35 1xmo h THR 135 Cb 0.67 0.00 -0.15 0.00 -1.74 0.00 0.00 68.15 66.93 1xmo h THR 135 CO 0.03 0.00 0.10 0.24 0.37 0.00 0.00 175.52 176.26 1xmo h MET 136 N -0.36 0.11 -0.09 6.66 2.07 -1.15 1.01 114.93 123.18 1xmo h MET 136 Ca 0.05 -0.01 -0.01 0.00 -2.07 0.00 0.00 59.70 57.66 1xmo h MET 136 Cb 0.49 -0.02 -0.00 0.00 -1.87 0.00 0.00 31.60 30.19 1xmo h MET 136 CO -0.43 0.07 0.00 0.93 1.07 0.00 0.00 176.91 178.55 1xmo h GLU 137 N 0.11 0.15 -0.48 1.72 4.39 0.07 0.46 114.58 121.01 1xmo h GLU 137 Ca 0.53 -0.05 0.08 0.00 0.34 0.00 0.00 59.36 60.26 1xmo h GLU 137 Cb 1.04 -0.01 -0.10 0.00 -0.10 0.00 0.00 28.75 29.58 1xmo h GLU 137 CO -0.74 0.41 -0.40 0.00 -1.16 0.00 0.00 179.01 177.11 1xmo h ALA 138 N 0.74 -0.30 0.37 3.43 0.00 0.72 -0.85 119.26 123.36 1xmo h ALA 138 Ca 0.02 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1xmo h ALA 138 Cb 0.34 0.86 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1xmo h ALA 138 CO 0.00 -0.80 -0.18 -0.07 0.00 0.00 0.00 179.25 178.21 1xmo h LEU 139 N -0.26 -0.42 -1.25 0.00 3.38 0.89 -2.92 115.31 114.74 1xmo h LEU 139 Ca 0.17 0.01 0.39 0.00 0.09 0.00 0.00 57.88 58.54 1xmo h LEU 139 Cb 0.57 0.11 -0.08 0.00 0.09 0.00 0.00 40.66 41.35 1xmo h LEU 139 CO -0.62 -0.29 0.87 -1.14 0.09 0.00 0.00 178.44 177.35 1xmo n ARG 140 N -3.34 -0.01 0.19 1.13 0.63 0.16 0.15 116.66 115.57 1xmo n ARG 140 Ca -0.06 0.84 0.09 0.00 -0.92 0.00 0.00 57.85 57.80 1xmo n ARG 140 Cb 0.19 -1.80 0.11 0.00 0.45 0.00 0.00 32.46 31.41 1xmo n ARG 140 CO 0.00 0.00 0.00 1.96 -2.51 0.00 0.00 177.63 177.08 1xmo h GLN 141 N 0.00 0.00 -6.18 -0.14 4.20 -0.96 -3.48 115.11 108.56 1xmo h GLN 141 Ca 0.66 0.00 -0.62 0.00 0.06 0.00 0.00 58.65 58.76 1xmo h GLN 141 Cb 2.45 0.00 0.15 0.00 0.30 0.00 0.00 27.48 30.37 1xmo h GLN 141 CO -0.15 0.14 -0.60 1.28 -0.67 0.00 0.00 178.83 178.82 1xmo n LEU 142 N -3.10 -1.15 -4.12 1.46 4.77 0.41 -5.00 117.00 110.26 1xmo n LEU 142 Ca 0.03 0.90 -0.13 0.00 -0.03 0.00 0.00 56.01 56.78 1xmo n LEU 142 Cb 0.59 -1.02 -0.11 0.00 -2.33 0.00 0.00 43.42 40.56 1xmo n LEU 142 CO 0.36 -3.35 -0.41 -0.13 -1.33 0.00 0.00 177.39 172.54 1xmo s ARG 143 N -1.31 0.70 0.14 3.23 1.81 -1.26 -4.97 118.95 117.29 1xmo s ARG 143 Ca 0.62 -1.00 0.11 0.00 -1.72 0.00 0.00 55.73 53.74 1xmo s ARG 143 Cb -0.65 -0.38 -0.04 0.00 -0.45 0.00 0.00 34.95 33.43 1xmo s ARG 143 CO 0.60 0.06 -0.25 0.99 -0.68 0.00 0.00 175.30 176.01 1xmo s THR 144 N -2.11 2.39 0.22 0.02 2.01 -1.26 -4.73 115.64 112.17 1xmo s THR 144 Ca -0.01 -1.76 -0.06 0.00 0.31 0.00 0.00 61.69 60.17 1xmo s THR 144 Cb -0.05 -2.08 0.35 0.00 0.01 0.00 0.00 72.50 70.73 1xmo s THR 144 CO -0.01 0.05 1.19 1.17 -0.69 0.00 0.00 174.62 176.34 1xmo n LYS 145 N 0.76 -0.07 0.04 4.92 3.00 -1.26 0.19 118.16 125.74 1xmo n LYS 145 Ca -0.17 1.19 -0.08 0.00 -0.00 0.00 0.00 58.31 59.25 1xmo n LYS 145 Cb 0.53 -1.79 -0.05 0.00 0.00 0.00 0.00 35.03 33.73 1xmo n LYS 145 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1xmo h ALA 146 N 1.53 -0.75 -0.91 3.14 0.00 -1.98 0.21 119.26 120.49 1xmo h ALA 146 Ca 0.37 -0.05 0.21 0.00 0.00 0.00 0.00 54.91 55.44 1xmo h ALA 146 Cb 0.58 0.72 -0.12 0.00 0.00 0.00 0.00 17.79 18.98 1xmo h ALA 146 CO -0.78 -0.83 0.45 -0.44 0.00 0.00 0.00 179.25 177.65 1xmo h ASP 147 N -0.37 0.46 0.12 0.00 5.19 -0.66 0.53 116.42 121.70 1xmo h ASP 147 Ca 0.00 0.14 -0.01 0.00 -0.62 0.00 0.00 57.03 56.54 1xmo h ASP 147 Cb 0.38 0.08 0.00 0.00 0.18 0.00 0.00 39.33 39.98 1xmo h ASP 147 CO -0.18 0.08 -0.06 0.58 -3.12 0.00 0.00 179.24 176.54 1xmo h VAL 148 N 0.50 1.03 -0.39 -1.35 2.07 -0.45 -1.01 116.25 116.64 1xmo h VAL 148 Ca 0.56 -0.62 0.08 0.00 0.82 0.00 0.00 66.70 67.53 1xmo h VAL 148 Cb 1.01 1.43 -0.07 0.00 -1.52 0.00 0.00 31.29 32.14 1xmo h VAL 148 CO -0.48 0.15 -0.06 -0.08 0.02 0.00 0.00 177.57 177.12 1xmo h GLU 149 N -0.45 0.04 -0.06 1.57 4.81 0.85 -0.04 114.58 121.30 1xmo h GLU 149 Ca -0.02 -0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.24 1xmo h GLU 149 Cb 0.36 -0.01 -0.06 0.00 0.63 0.00 0.00 28.75 29.68 1xmo h GLU 149 CO 0.03 0.03 -0.52 -0.09 -0.73 0.00 0.00 179.01 177.72 1xmo h ARG 150 N 0.04 -0.59 0.27 1.92 1.12 0.15 0.11 114.38 117.40 1xmo h ARG 150 Ca 0.19 0.04 0.00 0.00 -1.11 0.00 0.00 59.98 59.11 1xmo h ARG 150 Cb 0.28 0.13 -0.03 0.00 -0.01 0.00 0.00 29.97 30.35 1xmo h ARG 150 CO -0.37 -0.39 -0.34 -0.07 -3.11 0.00 0.00 179.97 175.69 1xmo h LEU 151 N -0.61 -0.93 0.00 3.80 3.38 -0.57 -2.05 115.31 118.33 1xmo h LEU 151 Ca 0.02 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1xmo h LEU 151 Cb 0.68 0.32 0.00 0.00 0.09 0.00 0.00 40.66 41.75 1xmo h LEU 151 CO -0.38 -0.46 0.00 0.54 0.09 0.00 0.00 178.44 178.23 1xmo n ARG 152 N -5.44 0.06 0.00 1.13 1.74 -0.08 -4.25 116.66 109.81 1xmo n ARG 152 Ca -0.09 0.28 0.00 0.00 -0.77 0.00 0.00 57.85 57.28 1xmo n ARG 152 Cb 0.35 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.29 1xmo n ARG 152 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 1xmo n LYS 153 N -1.41 0.00 -0.44 5.56 4.81 0.36 -5.06 118.16 121.99 1xmo n LYS 153 Ca 0.03 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.47 1xmo n LYS 153 Cb 0.09 -0.10 0.00 0.00 0.02 0.00 0.00 35.03 35.04 1xmo n LYS 153 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98