#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m9p h LYS 10 N 0.00 0.15 -6.08 0.00 3.64 -2.02 -3.43 116.57 108.83 3m9p h LYS 10 Ca 0.00 -0.08 -0.57 0.00 -1.27 0.00 0.00 60.65 58.73 3m9p h LYS 10 Cb 0.00 0.00 -0.15 0.00 -0.41 0.00 0.00 32.23 31.67 3m9p h LYS 10 CO 0.00 0.60 -0.77 -0.06 -2.27 0.00 0.00 179.45 176.95 3m9p s PHE 11 N -3.98 2.08 0.19 1.91 0.08 -1.26 -5.11 117.98 111.89 3m9p s PHE 11 Ca -0.03 -0.41 0.07 0.00 0.12 0.00 0.00 56.93 56.67 3m9p s PHE 11 Cb 0.13 -0.95 -0.05 0.00 -0.57 0.00 0.00 43.02 41.58 3m9p s PHE 11 CO 0.77 0.54 -0.14 -3.38 -0.10 0.00 0.00 175.22 172.90 3m9p s HIS 12 N -2.41 1.65 0.26 0.36 -3.43 -1.26 -5.04 115.29 105.42 3m9p s HIS 12 Ca 0.24 -0.58 -0.31 0.00 -0.80 0.00 0.00 55.06 53.62 3m9p s HIS 12 Cb -0.05 -0.78 -0.13 0.00 -1.43 0.00 0.00 32.58 30.19 3m9p s HIS 12 CO 0.11 0.31 1.40 0.43 -2.00 0.00 0.00 174.74 174.99 3m9p n SER 13 N -0.23 2.83 0.00 7.38 7.64 -1.26 -1.79 113.62 128.19 3m9p n SER 13 Ca -0.09 1.15 0.00 0.00 1.01 0.00 0.00 58.87 60.94 3m9p n SER 13 Cb 0.60 -1.45 0.00 0.00 -1.01 0.00 0.00 64.21 62.35 3m9p n SER 13 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3m9p n GLY 14 N 1.97 3.15 3.73 0.23 0.00 0.61 -5.00 105.19 109.88 3m9p n GLY 14 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 3m9p n GLY 14 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3m9p s GLU 15 N -0.37 4.14 -0.01 1.61 2.12 -0.74 -4.65 118.70 120.81 3m9p s GLU 15 Ca 0.00 2.55 -0.26 0.00 0.36 0.00 0.00 54.97 57.61 3m9p s GLU 15 Cb 0.00 -3.07 -0.04 0.00 0.26 0.00 0.00 34.13 31.28 3m9p s GLU 15 CO 0.00 -0.67 0.83 0.21 -0.54 0.00 0.00 175.26 175.09 3m9p s LYS 16 N 0.40 4.51 0.26 4.30 2.20 -1.26 -0.58 119.74 129.57 3m9p s LYS 16 Ca 0.69 1.14 -0.04 0.00 -0.36 0.00 0.00 55.97 57.40 3m9p s LYS 16 Cb -0.48 -3.43 -0.02 0.00 -1.51 0.00 0.00 37.83 32.40 3m9p s LYS 16 CO 0.39 0.09 0.33 0.14 -0.36 0.00 0.00 175.35 175.94 3m9p s VAL 17 N 0.61 0.00 -0.08 4.02 -7.23 0.16 -4.35 120.40 113.54 3m9p s VAL 17 Ca 0.43 -1.73 -0.03 0.00 -1.81 0.00 0.00 61.98 58.84 3m9p s VAL 17 Cb -0.20 -2.45 -0.04 0.00 0.56 0.00 0.00 36.38 34.26 3m9p s VAL 17 CO 0.23 0.00 0.05 -0.76 -0.31 0.00 0.00 175.10 174.32 3m9p s LEU 18 N -3.16 3.85 -0.01 1.32 1.43 -0.16 0.20 118.68 122.14 3m9p s LEU 18 Ca 0.32 0.22 0.01 0.00 -1.03 0.00 0.00 54.13 53.65 3m9p s LEU 18 Cb 0.03 -1.98 0.01 0.00 0.03 0.00 0.00 46.19 44.28 3m9p s LEU 18 CO 0.15 0.36 -0.01 0.00 0.23 0.00 0.00 176.35 177.08 3m9p s PHE 20 N 0.40 2.58 -0.03 0.00 0.08 -0.35 -0.83 117.98 119.84 3m9p s PHE 20 Ca -0.04 1.42 -0.40 0.00 0.12 0.00 0.00 56.93 58.04 3m9p s PHE 20 Cb -0.06 -3.65 -0.19 0.00 -0.57 0.00 0.00 43.02 38.54 3m9p s PHE 20 CO -0.01 -2.32 1.16 -1.91 -0.10 0.00 0.00 175.22 172.04 3m9p n GLU 21 N -0.59 0.19 0.03 0.44 4.07 -0.49 -4.84 120.64 119.45 3m9p n GLU 21 Ca 0.08 0.07 0.12 0.00 -0.06 0.00 0.00 57.16 57.37 3m9p n GLU 21 Cb 0.45 -1.59 0.26 0.00 -0.06 0.00 0.00 31.44 30.51 3m9p n GLU 21 CO 0.00 0.00 0.00 -0.35 -0.06 0.00 0.00 177.13 176.72 3m9p n PRO 22 N 1.88 0.12 -3.21 5.31 -0.04 -1.26 -4.72 135.00 133.08 3m9p n PRO 22 Ca 0.21 0.04 -0.45 0.00 -0.04 0.00 0.00 63.50 63.26 3m9p n PRO 22 Cb 0.09 -1.58 -0.05 0.00 -0.04 0.00 0.00 33.50 31.92 3m9p n PRO 22 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 3m9p s ASP 23 N -3.50 6.19 0.55 3.54 -1.08 -1.26 -4.96 116.67 116.14 3m9p s ASP 23 Ca 0.09 -1.43 0.39 0.00 -0.52 0.00 0.00 52.55 51.08 3m9p s ASP 23 Cb 0.16 -2.26 1.57 0.00 -1.46 0.00 0.00 42.92 40.93 3m9p s ASP 23 CO 0.69 -0.95 1.76 1.55 0.52 0.00 0.00 175.17 178.73 3m9p h PRO 24 N 9.02 0.00 -0.00 4.34 0.13 -1.98 0.17 132.00 143.68 3m9p h PRO 24 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 3m9p h PRO 24 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 3m9p h PRO 24 CO 1.04 0.00 -0.15 0.25 -0.23 0.00 0.00 178.00 178.90 3m9p n THR 25 N -4.10 0.00 -3.72 1.56 -2.24 -1.26 -4.85 114.28 99.66 3m9p n THR 25 Ca 0.28 -0.07 -0.20 0.00 -2.27 0.00 0.00 64.05 61.79 3m9p n THR 25 Cb 1.37 0.02 -0.02 0.00 -2.10 0.00 0.00 70.33 69.60 3m9p n THR 25 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3m9p s LYS 26 N -2.51 3.00 0.14 -0.78 -0.14 0.60 -5.05 119.74 115.00 3m9p s LYS 26 Ca 0.27 -1.08 -0.34 0.00 -1.36 0.00 0.00 55.97 53.45 3m9p s LYS 26 Cb 0.20 -2.68 -0.15 0.00 -1.68 0.00 0.00 37.83 33.51 3m9p s LYS 26 CO 0.49 0.16 1.40 0.00 -0.76 0.00 0.00 175.35 176.64 3m9p n ALA 27 N -1.47 0.10 -2.08 5.17 0.00 -1.26 -4.85 120.51 116.12 3m9p n ALA 27 Ca -0.03 0.47 -0.40 0.00 0.00 0.00 0.00 53.44 53.48 3m9p n ALA 27 Cb 0.58 -2.19 -0.03 0.00 0.00 0.00 0.00 19.45 17.82 3m9p n ALA 27 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3m9p s ARG 28 N 0.37 2.91 0.22 0.00 3.52 -1.26 -4.79 118.95 119.91 3m9p s ARG 28 Ca 0.79 0.80 0.01 0.00 -0.13 0.00 0.00 55.73 57.19 3m9p s ARG 28 Cb -0.81 -4.30 -0.05 0.00 -1.56 0.00 0.00 34.95 28.24 3m9p s ARG 28 CO 0.45 -2.39 0.09 0.14 -0.81 0.00 0.00 175.30 172.79 3m9p s VAL 29 N 8.07 0.38 -0.19 7.11 -7.23 -1.26 -4.83 120.40 122.45 3m9p s VAL 29 Ca 0.68 -1.99 -0.03 0.00 -1.81 0.00 0.00 61.98 58.83 3m9p s VAL 29 Cb -0.15 -2.50 -0.01 0.00 0.56 0.00 0.00 36.38 34.28 3m9p s VAL 29 CO 0.25 -0.09 -0.05 -0.76 -0.31 0.00 0.00 175.10 174.14 3m9p s LEU 30 N -3.24 2.96 -0.08 1.32 1.43 -1.26 -1.39 118.68 118.42 3m9p s LEU 30 Ca 0.36 -0.32 -0.03 0.00 -1.03 0.00 0.00 54.13 53.11 3m9p s LEU 30 Cb 0.07 -1.73 -0.04 0.00 0.03 0.00 0.00 46.19 44.53 3m9p s LEU 30 CO 0.11 0.05 0.06 -0.31 0.23 0.00 0.00 176.35 176.49 3m9p s TYR 31 N 1.05 3.32 0.22 0.29 2.02 -0.01 -4.87 117.35 119.38 3m9p s TYR 31 Ca 0.01 0.30 -0.31 0.00 -0.37 0.00 0.00 57.07 56.69 3m9p s TYR 31 Cb -0.15 -1.83 -0.11 0.00 -0.40 0.00 0.00 41.96 39.48 3m9p s TYR 31 CO -0.00 0.57 1.65 -0.51 -1.57 0.00 0.00 175.55 175.68 3m9p s ASP 32 N -1.09 6.44 0.32 2.29 1.11 -1.26 -0.76 116.67 123.71 3m9p s ASP 32 Ca 0.16 2.82 -0.10 0.00 0.18 0.00 0.00 52.55 55.60 3m9p s ASP 32 Cb -0.12 -2.61 0.01 0.00 1.07 0.00 0.00 42.92 41.28 3m9p s ASP 32 CO 0.05 -0.91 0.57 0.00 1.18 0.00 0.00 175.17 176.06 3m9p s ALA 33 N 0.86 -0.05 -0.01 5.23 0.00 0.13 -1.20 121.76 126.71 3m9p s ALA 33 Ca 0.70 -1.05 0.00 0.00 0.00 0.00 0.00 51.96 51.62 3m9p s ALA 33 Cb -0.48 0.99 0.01 0.00 0.00 0.00 0.00 23.12 23.65 3m9p s ALA 33 CO 0.36 -0.88 0.00 0.21 0.00 0.00 0.00 175.76 175.46 3m9p s LYS 34 N -3.24 0.08 -0.21 0.00 2.20 0.13 0.38 119.74 119.08 3m9p s LYS 34 Ca 0.23 0.05 -0.29 0.00 -0.36 0.00 0.00 55.97 55.60 3m9p s LYS 34 Cb -0.02 -0.20 -0.01 0.00 -1.51 0.00 0.00 37.83 36.09 3m9p s LYS 34 CO 0.14 -0.07 1.29 0.42 -0.36 0.00 0.00 175.35 176.77 3m9p s ILE 35 N 0.50 4.22 -0.22 5.43 -1.09 0.25 -1.10 121.20 129.19 3m9p s ILE 35 Ca -0.04 1.44 -0.16 0.00 -2.23 0.00 0.00 60.65 59.66 3m9p s ILE 35 Cb -0.07 -4.05 -0.18 0.00 -1.58 0.00 0.00 42.46 36.59 3m9p s ILE 35 CO -0.01 -0.26 0.03 0.52 -1.23 0.00 0.00 174.94 173.99 3m9p n VAL 36 N 5.69 1.56 -3.79 2.92 0.31 -0.50 -0.29 118.33 124.23 3m9p n VAL 36 Ca 0.14 -0.25 -0.13 0.00 -0.01 0.00 0.00 64.34 64.10 3m9p n VAL 36 Cb 0.45 -1.91 -0.11 0.00 -0.91 0.00 0.00 33.84 31.36 3m9p n VAL 36 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3m9p s ASP 37 N -7.05 -0.22 0.15 4.52 3.68 -1.21 -4.71 116.67 111.84 3m9p s ASP 37 Ca -0.31 0.35 0.09 0.00 2.13 0.00 0.00 52.55 54.81 3m9p s ASP 37 Cb 0.09 0.45 -0.04 0.00 -1.45 0.00 0.00 42.92 41.97 3m9p s ASP 37 CO 0.58 -0.18 -0.14 0.54 0.13 0.00 0.00 175.17 176.11 3m9p s VAL 38 N -0.29 3.01 -0.17 1.11 0.11 -1.26 0.69 120.40 123.59 3m9p s VAL 38 Ca -0.04 -1.61 -0.09 0.00 -2.93 0.00 0.00 61.98 57.31 3m9p s VAL 38 Cb -0.03 -2.44 0.06 0.00 -1.53 0.00 0.00 36.38 32.44 3m9p s VAL 38 CO 0.01 -0.02 0.41 -0.51 -3.33 0.00 0.00 175.10 171.66 3m9p s ILE 39 N -1.47 -0.14 -0.20 7.04 2.07 0.65 -4.99 121.20 124.15 3m9p s ILE 39 Ca 0.22 0.11 -0.29 0.00 -1.41 0.00 0.00 60.65 59.28 3m9p s ILE 39 Cb -0.09 -0.62 -0.01 0.00 0.13 0.00 0.00 42.46 41.87 3m9p s ILE 39 CO 0.13 0.05 1.25 0.54 -1.91 0.00 0.00 174.94 175.00 3m9p s VAL 40 N 1.63 4.28 0.00 4.00 0.11 -1.26 0.63 120.40 129.79 3m9p s VAL 40 Ca -0.08 1.52 0.00 0.00 -2.93 0.00 0.00 61.98 60.49 3m9p s VAL 40 Cb -0.09 -4.06 0.00 0.00 -1.53 0.00 0.00 36.38 30.70 3m9p s VAL 40 CO -0.13 -0.22 0.00 0.61 -3.33 0.00 0.00 175.10 172.03 3m9p n GLY 41 N 3.76 4.65 2.84 6.54 0.00 0.16 -4.91 105.19 118.22 3m9p n GLY 41 Ca 0.14 -2.15 -0.14 0.00 0.00 0.00 0.00 46.02 43.87 3m9p n GLY 41 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3m9p s LYS 42 N -1.04 0.01 0.88 1.61 1.02 -1.26 -1.75 119.74 119.22 3m9p s LYS 42 Ca 0.00 0.25 -0.13 0.00 0.02 0.00 0.00 55.97 56.12 3m9p s LYS 42 Cb 0.00 -0.21 0.12 0.00 -0.52 0.00 0.00 37.83 37.22 3m9p s LYS 42 CO 0.00 -0.16 1.16 0.16 -0.92 0.00 0.00 175.35 175.59 3m9p s ASP 43 N 1.07 3.78 0.61 2.83 1.47 0.26 -4.81 116.67 121.87 3m9p s ASP 43 Ca -0.09 0.85 0.32 0.00 1.18 0.00 0.00 52.55 54.82 3m9p s ASP 43 Cb -0.12 -1.36 1.89 0.00 -0.34 0.00 0.00 42.92 42.99 3m9p s ASP 43 CO -0.04 -2.37 2.23 -0.33 0.68 0.00 0.00 175.17 175.34 3m9p h GLU 44 N -1.37 0.00 -0.33 2.11 3.07 -2.01 1.24 114.58 117.28 3m9p h GLU 44 Ca -0.48 0.00 -0.11 0.00 -0.50 0.00 0.00 59.36 58.26 3m9p h GLU 44 Cb 1.33 0.00 -0.07 0.00 -0.84 0.00 0.00 28.75 29.17 3m9p h GLU 44 CO 0.62 0.00 -0.01 1.63 -1.40 0.00 0.00 179.01 179.84 3m9p n LYS 45 N -3.67 2.31 -0.83 2.33 5.02 -1.26 -4.96 118.16 117.10 3m9p n LYS 45 Ca -0.02 -3.01 0.00 0.00 -2.02 0.00 0.00 58.31 53.26 3m9p n LYS 45 Cb 0.14 -1.84 0.00 0.00 -0.02 0.00 0.00 35.03 33.32 3m9p n LYS 45 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3m9p n GLY 46 N -0.87 1.04 3.77 0.72 0.00 0.42 -4.97 105.19 105.30 3m9p n GLY 46 Ca 0.29 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.92 3m9p n GLY 46 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3m9p s ARG 47 N -0.13 3.83 -0.08 1.61 0.52 -1.26 -4.64 118.95 118.80 3m9p s ARG 47 Ca 0.00 2.06 -0.30 0.00 -0.52 0.00 0.00 55.73 56.97 3m9p s ARG 47 Cb 0.00 -2.62 -0.04 0.00 0.52 0.00 0.00 34.95 32.81 3m9p s ARG 47 CO 0.00 -0.57 1.55 0.15 0.02 0.00 0.00 175.30 176.45 3m9p s LYS 48 N -2.42 4.19 -0.02 3.54 3.01 -1.26 -0.57 119.74 126.21 3m9p s LYS 48 Ca 0.60 2.05 0.04 0.00 -1.01 0.00 0.00 55.97 57.65 3m9p s LYS 48 Cb -0.36 -3.93 -0.01 0.00 -1.01 0.00 0.00 37.83 32.53 3m9p s LYS 48 CO 0.45 -0.81 -0.14 0.96 0.51 0.00 0.00 175.35 176.32 3m9p s ILE 49 N 3.90 1.14 0.28 2.17 -4.36 -0.72 -4.93 121.20 118.68 3m9p s ILE 49 Ca 0.68 -0.60 -0.29 0.00 -0.26 0.00 0.00 60.65 60.18 3m9p s ILE 49 Cb -0.30 -0.96 -0.09 0.00 1.25 0.00 0.00 42.46 42.35 3m9p s ILE 49 CO 0.26 0.33 1.04 -2.16 0.24 0.00 0.00 174.94 174.64 3m9p s PRO 50 N -0.22 4.66 0.08 0.37 0.04 -1.26 0.38 135.00 139.05 3m9p s PRO 50 Ca 0.03 1.66 0.08 0.00 0.04 0.00 0.00 61.00 62.81 3m9p s PRO 50 Cb -0.07 -3.14 -0.04 0.00 0.04 0.00 0.00 34.50 31.30 3m9p s PRO 50 CO -0.00 0.28 -0.19 -1.21 0.04 0.00 0.00 177.00 175.92 3m9p s GLU 51 N -1.49 1.89 -0.09 4.56 2.02 0.20 -4.20 118.70 121.59 3m9p s GLU 51 Ca 0.45 -1.10 0.01 0.00 0.02 0.00 0.00 54.97 54.34 3m9p s GLU 51 Cb -0.29 -2.13 0.02 0.00 0.10 0.00 0.00 34.13 31.84 3m9p s GLU 51 CO 0.36 0.51 -0.09 0.71 0.02 0.00 0.00 175.26 176.77 3m9p s TYR 52 N -1.03 1.40 -0.18 1.61 2.02 -0.73 -0.25 117.35 120.18 3m9p s TYR 52 Ca 0.16 -0.62 -0.21 0.00 -0.37 0.00 0.00 57.07 56.03 3m9p s TYR 52 Cb -0.10 -1.12 -0.03 0.00 -0.40 0.00 0.00 41.96 40.31 3m9p s TYR 52 CO 0.08 -0.40 0.64 -1.17 -1.57 0.00 0.00 175.55 173.13 3m9p s LEU 53 N 1.30 4.16 -0.06 -1.29 2.96 0.22 -0.58 118.68 125.39 3m9p s LEU 53 Ca -0.03 0.88 0.06 0.00 -0.22 0.00 0.00 54.13 54.82 3m9p s LEU 53 Cb -0.14 -2.92 -0.01 0.00 0.50 0.00 0.00 46.19 43.62 3m9p s LEU 53 CO -0.03 -0.26 -0.25 0.27 -1.32 0.00 0.00 176.35 174.75 3m9p s ILE 54 N 1.81 2.05 -0.19 6.68 -5.25 0.42 -1.41 121.20 125.31 3m9p s ILE 54 Ca 0.30 -1.06 -0.09 0.00 -0.99 0.00 0.00 60.65 58.81 3m9p s ILE 54 Cb -0.16 -1.73 -0.05 0.00 2.95 0.00 0.00 42.46 43.47 3m9p s ILE 54 CO 0.11 0.57 0.12 -2.28 -1.79 0.00 0.00 174.94 171.66 3m9p s HIS 55 N -0.13 3.39 -0.38 1.37 5.65 -0.26 -2.00 115.29 122.92 3m9p s HIS 55 Ca -0.05 0.29 -0.19 0.00 0.25 0.00 0.00 55.06 55.36 3m9p s HIS 55 Cb -0.14 -2.13 0.01 0.00 -1.18 0.00 0.00 32.58 29.14 3m9p s HIS 55 CO 0.04 0.29 0.54 -0.06 -0.65 0.00 0.00 174.74 174.90 3m9p s PHE 56 N 0.29 3.14 0.08 3.88 0.08 -1.26 0.17 117.98 124.35 3m9p s PHE 56 Ca 0.07 0.04 -0.33 0.00 0.12 0.00 0.00 56.93 56.83 3m9p s PHE 56 Cb -0.11 -3.05 -0.12 0.00 -0.57 0.00 0.00 43.02 39.17 3m9p s PHE 56 CO -0.01 -0.66 1.75 0.09 -0.10 0.00 0.00 175.22 176.29 3m9p n ASN 57 N 5.88 3.53 0.00 1.36 5.03 -0.34 -1.54 115.26 129.18 3m9p n ASN 57 Ca -0.04 1.02 0.00 0.00 0.87 0.00 0.00 54.58 56.43 3m9p n ASN 57 Cb 0.48 -1.45 0.00 0.00 -1.02 0.00 0.00 39.78 37.79 3m9p n ASN 57 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3m9p n GLY 58 N 3.98 0.12 3.59 7.41 0.00 -1.26 -4.89 105.19 114.14 3m9p n GLY 58 Ca 0.19 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.90 3m9p n GLY 58 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3m9p s TRP 59 N -2.00 2.83 0.72 1.61 0.52 -0.59 -5.13 118.94 116.91 3m9p s TRP 59 Ca 0.00 -0.09 -0.08 0.00 0.02 0.00 0.00 56.10 55.95 3m9p s TRP 59 Cb 0.00 -1.54 0.06 0.00 -1.15 0.00 0.00 33.47 30.84 3m9p s TRP 59 CO 0.00 0.39 1.05 0.54 0.02 0.00 0.00 176.95 178.95 3m9p s ASN 60 N -1.75 4.85 0.44 2.95 2.20 -1.26 -4.62 114.94 117.75 3m9p s ASN 60 Ca 0.19 0.60 0.25 0.00 -0.94 0.00 0.00 52.86 52.97 3m9p s ASN 60 Cb -0.11 -1.26 1.38 0.00 -2.00 0.00 0.00 41.25 39.26 3m9p s ASN 60 CO 0.10 -1.61 1.75 0.08 -2.94 0.00 0.00 177.10 174.49 3m9p h ARG 61 N -0.68 0.00 0.00 3.55 0.11 -2.00 0.14 114.38 115.50 3m9p h ARG 61 Ca -0.45 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.63 3m9p h ARG 61 Cb 1.31 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.39 3m9p h ARG 61 CO 0.62 0.00 0.00 -1.13 0.10 0.00 0.00 179.97 179.56 3m9p n SER 62 N -2.46 0.00 -0.78 0.08 3.41 -1.26 -1.45 113.62 111.16 3m9p n SER 62 Ca -0.02 -0.25 0.10 0.00 -0.26 0.00 0.00 58.87 58.44 3m9p n SER 62 Cb 0.16 -0.22 0.09 0.00 -0.26 0.00 0.00 64.21 63.99 3m9p n SER 62 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 3m9p n TRP 63 N -1.22 0.05 -1.72 7.33 7.02 0.48 -4.97 117.44 124.41 3m9p n TRP 63 Ca 0.14 -0.03 -0.43 0.00 -1.02 0.00 0.00 57.50 56.16 3m9p n TRP 63 Cb 0.17 -0.00 -0.02 0.00 -2.42 0.00 0.00 31.31 29.04 3m9p n TRP 63 CO 0.00 0.00 0.00 -0.25 -2.02 0.00 0.00 177.69 175.42 3m9p n ASP 64 N 1.08 3.56 -4.13 -0.99 8.00 -0.53 -4.79 116.55 118.76 3m9p n ASP 64 Ca 0.12 1.14 -0.19 0.00 0.71 0.00 0.00 54.79 56.57 3m9p n ASP 64 Cb 0.48 -1.54 -0.13 0.00 -0.02 0.00 0.00 41.12 39.91 3m9p n ASP 64 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 3m9p s ARG 65 N -0.29 0.83 0.12 -1.24 1.81 -0.85 -4.94 118.95 114.40 3m9p s ARG 65 Ca 0.67 -0.75 -0.28 0.00 -1.72 0.00 0.00 55.73 53.64 3m9p s ARG 65 Cb -0.54 -0.81 -0.06 0.00 -0.45 0.00 0.00 34.95 33.08 3m9p s ARG 65 CO 0.47 0.19 0.87 -1.58 -0.68 0.00 0.00 175.30 174.58 3m9p s TRP 66 N -0.94 3.83 0.02 -0.53 0.52 -1.26 -0.44 118.94 120.15 3m9p s TRP 66 Ca -0.00 1.70 0.01 0.00 0.02 0.00 0.00 56.10 57.82 3m9p s TRP 66 Cb -0.08 -2.93 -0.02 0.00 -1.15 0.00 0.00 33.47 29.29 3m9p s TRP 66 CO 0.01 0.31 -0.04 0.00 0.02 0.00 0.00 176.95 177.25 3m9p s ALA 67 N -0.37 0.24 0.56 0.98 0.00 0.26 -4.97 121.76 118.47 3m9p s ALA 67 Ca 0.42 -0.58 -0.17 0.00 0.00 0.00 0.00 51.96 51.63 3m9p s ALA 67 Cb -0.23 0.10 -0.05 0.00 0.00 0.00 0.00 23.12 22.94 3m9p s ALA 67 CO 0.28 -0.10 1.04 0.00 0.00 0.00 0.00 175.76 176.98 3m9p s ALA 68 N -1.29 2.81 0.50 0.00 0.00 -1.26 -1.77 121.76 120.75 3m9p s ALA 68 Ca -0.13 0.39 0.31 0.00 0.00 0.00 0.00 51.96 52.53 3m9p s ALA 68 Cb -0.09 -3.22 1.42 0.00 0.00 0.00 0.00 23.12 21.23 3m9p s ALA 68 CO -0.01 -0.64 1.80 1.49 0.00 0.00 0.00 175.76 178.40 3m9p h GLU 69 N 0.68 0.11 -0.22 0.00 4.81 -1.95 0.01 114.58 118.03 3m9p h GLU 69 Ca -0.47 -0.01 0.06 0.00 -0.13 0.00 0.00 59.36 58.81 3m9p h GLU 69 Cb 1.21 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.56 3m9p h GLU 69 CO 0.58 0.07 0.22 -0.44 -0.73 0.00 0.00 179.01 178.71 3m9p h ASP 70 N 0.12 0.00 -0.17 1.04 5.19 -1.95 -2.71 116.42 117.93 3m9p h ASP 70 Ca 0.57 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.98 3m9p h ASP 70 Cb 2.02 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.53 3m9p h ASP 70 CO -0.10 0.00 0.00 1.41 -3.12 0.00 0.00 179.24 177.43 3m9p n HIS 71 N -3.92 0.19 -4.63 4.55 8.25 -0.01 -4.85 115.22 114.80 3m9p n HIS 71 Ca 0.02 -0.11 -0.30 0.00 -0.26 0.00 0.00 57.72 57.08 3m9p n HIS 71 Cb 0.35 -0.00 -0.17 0.00 1.12 0.00 0.00 29.99 31.29 3m9p n HIS 71 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3m9p s VAL 72 N -1.64 1.70 -0.00 1.59 1.01 -1.03 -1.21 120.40 120.82 3m9p s VAL 72 Ca 0.30 -0.77 0.05 0.00 0.00 0.00 0.00 61.98 61.56 3m9p s VAL 72 Cb 0.19 -1.52 -0.03 0.00 0.00 0.00 0.00 36.38 35.02 3m9p s VAL 72 CO 0.28 0.48 -0.16 -0.76 0.00 0.00 0.00 175.10 174.94 3m9p s LEU 73 N 0.82 2.68 0.30 3.92 1.02 0.87 -5.00 118.68 123.30 3m9p s LEU 73 Ca -0.09 -0.30 -0.30 0.00 0.02 0.00 0.00 54.13 53.46 3m9p s LEU 73 Cb -0.16 -1.55 -0.11 0.00 0.02 0.00 0.00 46.19 44.39 3m9p s LEU 73 CO 0.00 0.30 1.56 -0.60 0.02 0.00 0.00 176.35 177.63 3m9p s ARG 74 N -1.08 4.14 -1.20 1.70 6.06 -1.26 -0.99 118.95 126.31 3m9p s ARG 74 Ca 0.13 2.55 -0.21 0.00 -2.50 0.00 0.00 55.73 55.70 3m9p s ARG 74 Cb -0.11 -3.02 -0.05 0.00 0.06 0.00 0.00 34.95 31.83 3m9p s ARG 74 CO 0.03 -0.59 1.89 -3.47 -2.50 0.00 0.00 175.30 170.66 3m9p n ASP 75 N 1.89 3.54 -4.35 -2.12 -0.08 -1.26 -4.68 116.55 109.48 3m9p n ASP 75 Ca 0.07 -2.76 -0.22 0.00 -1.51 0.00 0.00 54.79 50.37 3m9p n ASP 75 Cb 0.38 -1.71 -0.11 0.00 2.34 0.00 0.00 41.12 42.02 3m9p n ASP 75 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 3m9p s THR 76 N 8.90 1.88 0.26 5.18 -1.32 -1.26 -5.01 115.64 124.27 3m9p s THR 76 Ca 0.64 -1.99 -0.01 0.00 -1.21 0.00 0.00 61.69 59.12 3m9p s THR 76 Cb 0.02 -1.91 0.24 0.00 -1.51 0.00 0.00 72.50 69.34 3m9p s THR 76 CO 0.12 -0.35 1.78 0.44 -2.21 0.00 0.00 174.62 174.40 3m9p h ASP 77 N 3.10 0.61 0.37 8.08 3.45 -1.99 -0.50 116.42 129.55 3m9p h ASP 77 Ca -0.42 0.08 -0.15 0.00 0.43 0.00 0.00 57.03 56.97 3m9p h ASP 77 Cb 1.21 -0.03 -0.01 0.00 -0.56 0.00 0.00 39.33 39.94 3m9p h ASP 77 CO 0.53 0.28 -0.63 -0.33 -1.57 0.00 0.00 179.24 177.53 3m9p h GLU 78 N 0.70 0.24 0.00 3.56 4.39 -1.96 -0.51 114.58 121.01 3m9p h GLU 78 Ca 0.46 -0.17 -0.11 0.00 0.34 0.00 0.00 59.36 59.87 3m9p h GLU 78 Cb 0.59 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.25 3m9p h GLU 78 CO -0.33 0.79 -0.53 -0.91 -1.16 0.00 0.00 179.01 176.87 3m9p h ASN 79 N 0.18 0.00 -0.00 1.42 2.35 -1.68 -2.38 115.58 115.46 3m9p h ASN 79 Ca -0.01 0.00 -0.25 0.00 -0.55 0.00 0.00 56.30 55.49 3m9p h ASN 79 Cb 1.14 0.00 0.02 0.00 0.05 0.00 0.00 38.32 39.53 3m9p h ASN 79 CO 0.10 0.53 -0.98 0.03 -1.65 0.00 0.00 177.43 175.46 3m9p h ARG 80 N 0.00 0.70 -0.79 0.81 2.47 -0.73 0.12 114.38 116.96 3m9p h ARG 80 Ca -0.01 -0.71 0.01 0.00 -1.26 0.00 0.00 59.98 58.02 3m9p h ARG 80 Cb 1.33 0.19 -0.04 0.00 -1.65 0.00 0.00 29.97 29.80 3m9p h ARG 80 CO 0.07 1.29 0.53 0.00 0.56 0.00 0.00 179.97 182.42 3m9p h ARG 81 N 0.42 1.03 -0.20 0.04 3.08 -1.04 -1.83 114.38 115.88 3m9p h ARG 81 Ca -0.11 -0.06 -0.16 0.00 0.07 0.00 0.00 59.98 59.72 3m9p h ARG 81 Cb 1.62 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 31.43 3m9p h ARG 81 CO 0.19 0.68 -0.52 1.25 -1.07 0.00 0.00 179.97 180.50 3m9p h LEU 82 N 1.06 0.64 -0.20 3.04 5.85 -1.02 -2.46 115.31 122.22 3m9p h LEU 82 Ca 0.29 -0.33 0.01 0.00 0.84 0.00 0.00 57.88 58.69 3m9p h LEU 82 Cb -0.10 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 40.73 3m9p h LEU 82 CO -0.07 1.04 0.10 -0.61 -0.34 0.00 0.00 178.44 178.57 3m9p h GLN 83 N 0.45 0.21 -0.38 1.25 4.15 -0.54 -0.29 115.11 119.97 3m9p h GLN 83 Ca 0.01 -0.01 -0.06 0.00 0.77 0.00 0.00 58.65 59.36 3m9p h GLN 83 Cb 1.06 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 28.69 3m9p h GLN 83 CO 0.10 0.14 -0.00 0.00 -1.93 0.00 0.00 178.83 177.13 3m9p h ARG 84 N 0.22 0.61 -0.13 1.69 3.08 -1.21 -0.30 114.38 118.33 3m9p h ARG 84 Ca 0.08 -0.14 -0.21 0.00 0.07 0.00 0.00 59.98 59.77 3m9p h ARG 84 Cb 0.01 -0.08 0.01 0.00 0.08 0.00 0.00 29.97 29.99 3m9p h ARG 84 CO -0.05 0.63 -0.77 -0.22 -1.07 0.00 0.00 179.97 178.49 3m9p h LYS 85 N 0.58 0.69 -0.03 0.04 3.64 -0.80 -1.39 116.57 119.31 3m9p h LYS 85 Ca 0.12 -0.57 -0.16 0.00 -1.27 0.00 0.00 60.65 58.77 3m9p h LYS 85 Cb 0.37 0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.30 3m9p h LYS 85 CO 0.01 1.18 -0.69 -0.07 -2.27 0.00 0.00 179.45 177.61 3m9p h LEU 86 N 0.47 0.16 -0.77 5.20 3.38 -0.87 -2.83 115.31 120.04 3m9p h LEU 86 Ca -0.05 -0.10 -0.11 0.00 0.09 0.00 0.00 57.88 57.71 3m9p h LEU 86 Cb 1.39 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 42.08 3m9p h LEU 86 CO 0.15 0.80 -0.24 0.00 0.09 0.00 0.00 178.44 179.24 3m9p h ALA 87 N 1.20 0.95 -0.16 1.53 0.00 -0.55 -1.36 119.26 120.86 3m9p h ALA 87 Ca -0.01 -0.37 -0.16 0.00 0.00 0.00 0.00 54.91 54.37 3m9p h ALA 87 Cb 1.23 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 3m9p h ALA 87 CO 0.10 0.61 -0.57 0.00 0.00 0.00 0.00 179.25 179.39 3m9p h ARG 88 N 0.58 0.51 -0.13 0.00 3.08 -1.21 -2.51 114.38 114.69 3m9p h ARG 88 Ca 0.08 -0.33 -0.02 0.00 0.07 0.00 0.00 59.98 59.79 3m9p h ARG 88 Cb 0.72 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.80 3m9p h ARG 88 CO 0.06 0.94 0.02 0.87 -1.07 0.00 0.00 179.97 180.78 3m9p h LYS 89 N 0.39 0.23 -0.06 0.04 1.57 -1.22 -2.43 116.57 115.08 3m9p h LYS 89 Ca 0.00 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.69 3m9p h LYS 89 Cb 1.10 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.38 3m9p h LYS 89 CO 0.10 0.42 -0.09 0.00 -0.57 0.00 0.00 179.45 179.31 3m9p h ALA 90 N 0.80 1.74 0.00 3.86 0.00 -1.16 -3.02 119.26 121.48 3m9p h ALA 90 Ca 0.04 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 3m9p h ALA 90 Cb 0.30 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 3m9p h ALA 90 CO 0.00 0.19 -0.07 -0.39 0.00 0.00 0.00 179.25 178.99 3m9p h VAL 91 N 0.08 1.71 0.00 0.00 -1.51 -1.37 -3.52 116.25 111.64 3m9p h VAL 91 Ca 0.02 -2.31 0.00 0.00 -1.23 0.00 0.00 66.70 63.18 3m9p h VAL 91 Cb 0.22 3.25 0.00 0.00 -2.13 0.00 0.00 31.29 32.63 3m9p h VAL 91 CO 0.01 0.58 0.00 0.00 -1.23 0.00 0.00 177.57 176.93