#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dn8 n SER 2 N 0.00 -6.39 -4.39 1.61 2.88 -1.26 -5.05 113.62 101.02 2dn8 n SER 2 Ca 0.00 1.11 -0.19 0.00 -1.33 0.00 0.00 58.87 58.46 2dn8 n SER 2 Cb 0.00 -3.33 -0.10 0.00 -0.75 0.00 0.00 64.21 60.02 2dn8 n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2dn8 s SER 3 N -3.79 1.96 0.00 -3.46 0.01 -1.26 -5.17 113.70 101.99 2dn8 s SER 3 Ca 0.00 -1.33 0.00 0.00 1.31 0.00 0.00 55.95 55.93 2dn8 s SER 3 Cb 0.00 -0.00 0.00 0.00 0.21 0.00 0.00 66.02 66.23 2dn8 s SER 3 CO 0.00 -0.61 0.00 0.61 0.41 0.00 0.00 173.24 173.65 2dn8 n GLY 4 N -0.56 0.38 3.64 3.44 0.00 -1.26 -5.14 105.19 105.68 2dn8 n GLY 4 Ca -0.02 -1.80 -0.03 0.00 0.00 0.00 0.00 46.02 44.17 2dn8 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dn8 s SER 5 N -1.00 -0.04 1.01 1.61 0.15 -1.26 -5.16 113.70 109.01 2dn8 s SER 5 Ca 0.00 0.02 -0.19 0.00 0.70 0.00 0.00 55.95 56.48 2dn8 s SER 5 Cb 0.00 0.04 -0.08 0.00 -1.71 0.00 0.00 66.02 64.27 2dn8 s SER 5 CO 0.00 -0.06 -0.59 -1.54 1.20 0.00 0.00 173.24 172.25 2dn8 n SER 6 N 0.19 -3.83 -2.35 5.45 3.41 -1.26 -5.00 113.62 110.23 2dn8 n SER 6 Ca 0.02 0.12 -0.02 0.00 -0.26 0.00 0.00 58.87 58.73 2dn8 n SER 6 Cb 0.57 -0.83 0.01 0.00 -0.26 0.00 0.00 64.21 63.70 2dn8 n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dn8 n GLY 7 N 2.81 1.97 3.63 5.00 0.00 -1.26 -5.15 105.19 112.19 2dn8 n GLY 7 Ca 0.00 -2.14 -0.07 0.00 0.00 0.00 0.00 46.02 43.81 2dn8 n GLY 7 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2dn8 s THR 8 N 0.54 0.00 -0.68 2.61 -1.32 -1.26 -5.11 115.64 110.43 2dn8 s THR 8 Ca 0.07 0.00 -0.17 0.00 -1.21 0.00 0.00 61.69 60.38 2dn8 s THR 8 Cb -0.01 -1.00 0.14 0.00 -1.51 0.00 0.00 72.50 70.13 2dn8 s THR 8 CO 0.05 0.00 0.72 0.00 -2.21 0.00 0.00 174.62 173.17 2dn8 n VAL 10 N 5.08 0.00 -2.96 0.00 0.24 -1.26 -5.11 118.33 114.32 2dn8 n VAL 10 Ca -0.01 -1.03 -0.43 0.00 -2.04 0.00 0.00 64.34 60.82 2dn8 n VAL 10 Cb 0.44 0.51 -0.05 0.00 -1.47 0.00 0.00 33.84 33.27 2dn8 n VAL 10 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 2dn8 s PHE 11 N -2.56 2.84 -0.29 6.34 0.08 -1.26 -4.95 117.98 118.17 2dn8 s PHE 11 Ca 0.17 -0.51 -0.16 0.00 0.12 0.00 0.00 56.93 56.55 2dn8 s PHE 11 Cb 0.01 -4.04 0.16 0.00 -0.57 0.00 0.00 43.02 38.58 2dn8 s PHE 11 CO 0.12 -1.39 1.02 -2.00 -0.10 0.00 0.00 175.22 172.87 2dn8 s GLU 12 N 3.49 0.30 -0.30 0.44 2.12 -1.26 -5.17 118.70 118.32 2dn8 s GLU 12 Ca 0.20 0.59 -0.23 0.00 0.36 0.00 0.00 54.97 55.89 2dn8 s GLU 12 Cb -0.18 0.16 0.20 0.00 0.26 0.00 0.00 34.13 34.57 2dn8 s GLU 12 CO 0.12 -0.07 1.42 0.15 -0.54 0.00 0.00 175.26 176.33 2dn8 s LYS 13 N 1.62 0.05 -0.03 4.30 1.02 -1.26 -5.16 119.74 120.27 2dn8 s LYS 13 Ca -0.07 0.06 -0.01 0.00 0.02 0.00 0.00 55.97 55.97 2dn8 s LYS 13 Cb -0.04 0.02 0.03 0.00 -0.52 0.00 0.00 37.83 37.32 2dn8 s LYS 13 CO -0.15 -0.01 0.05 -1.21 -0.92 0.00 0.00 175.35 173.12 2dn8 s GLU 14 N 0.22 -0.05 -0.20 1.68 0.41 -1.26 -5.14 118.70 114.36 2dn8 s GLU 14 Ca 0.05 0.31 -0.27 0.00 -0.41 0.00 0.00 54.97 54.64 2dn8 s GLU 14 Cb -0.04 -0.38 0.08 0.00 -1.78 0.00 0.00 34.13 32.01 2dn8 s GLU 14 CO -0.15 -0.26 0.75 -0.80 -0.49 0.00 0.00 175.26 174.32 2dn8 s ASN 15 N 1.68 -0.68 0.01 -0.19 0.01 -1.26 -5.16 114.94 109.35 2dn8 s ASN 15 Ca -0.02 1.14 0.00 0.00 -0.71 0.00 0.00 52.86 53.27 2dn8 s ASN 15 Cb -0.12 1.09 -0.01 0.00 0.41 0.00 0.00 41.25 42.62 2dn8 s ASN 15 CO -0.03 -0.35 -0.02 -1.81 -1.51 0.00 0.00 177.10 173.38 2dn8 s ASP 16 N -0.15 0.22 0.12 -1.22 1.01 -1.26 -5.05 116.67 110.34 2dn8 s ASP 16 Ca -0.03 -0.31 -0.07 0.00 0.71 0.00 0.00 52.55 52.85 2dn8 s ASP 16 Cb -0.03 0.05 -0.10 0.00 1.01 0.00 0.00 42.92 43.85 2dn8 s ASP 16 CO 0.03 -0.17 1.31 1.55 0.21 0.00 0.00 175.17 178.09 2dn8 h PRO 17 N 5.22 0.52 0.00 8.23 0.13 -1.97 -3.09 132.00 141.03 2dn8 h PRO 17 Ca -0.29 -0.51 -0.01 0.00 -0.87 0.00 0.00 66.00 64.32 2dn8 h PRO 17 Cb 1.21 0.13 -0.00 0.00 0.13 0.00 0.00 31.00 32.47 2dn8 h PRO 17 CO 0.45 1.14 -0.03 1.79 -0.23 0.00 0.00 178.00 181.12 2dn8 h THR 18 N 0.32 0.79 -3.65 1.56 1.35 -1.97 -3.37 112.91 107.93 2dn8 h THR 18 Ca -0.08 -0.10 -0.70 0.00 -0.55 0.00 0.00 66.41 64.98 2dn8 h THR 18 Cb 1.52 1.06 -0.28 0.00 -1.73 0.00 0.00 68.15 68.73 2dn8 h THR 18 CO 0.16 0.03 -0.58 0.54 -0.25 0.00 0.00 175.52 175.42 2dn8 s VAL 19 N -4.78 3.99 -1.01 6.82 0.11 -1.17 0.15 120.40 124.50 2dn8 s VAL 19 Ca -0.05 -1.05 -0.23 0.00 -2.93 0.00 0.00 61.98 57.72 2dn8 s VAL 19 Cb 0.16 -3.24 0.02 0.00 -1.53 0.00 0.00 36.38 31.79 2dn8 s VAL 19 CO 0.62 -0.18 1.61 -0.76 -3.33 0.00 0.00 175.10 173.05 2dn8 s LEU 20 N 1.44 3.42 0.52 2.54 1.43 -0.92 -4.49 118.68 122.62 2dn8 s LEU 20 Ca -0.01 -1.33 -0.12 0.00 -1.03 0.00 0.00 54.13 51.64 2dn8 s LEU 20 Cb -0.19 -2.57 -0.06 0.00 0.03 0.00 0.00 46.19 43.40 2dn8 s LEU 20 CO 0.04 -1.85 0.93 -0.13 0.23 0.00 0.00 176.35 175.57 2dn8 s ARG 21 N 5.49 3.76 -0.24 1.70 0.52 -1.26 -2.39 118.95 126.54 2dn8 s ARG 21 Ca 0.53 0.70 -0.29 0.00 -0.52 0.00 0.00 55.73 56.15 2dn8 s ARG 21 Cb -0.01 -2.20 0.01 0.00 0.52 0.00 0.00 34.95 33.26 2dn8 s ARG 21 CO -0.06 -0.30 1.05 0.45 0.02 0.00 0.00 175.30 176.46 2dn8 s SER 22 N -3.54 7.08 0.34 0.23 0.15 0.24 -4.89 113.70 113.32 2dn8 s SER 22 Ca 0.55 1.36 0.26 0.00 0.70 0.00 0.00 55.95 58.82 2dn8 s SER 22 Cb -0.10 -2.54 0.88 0.00 -1.71 0.00 0.00 66.02 62.55 2dn8 s SER 22 CO 0.40 -0.69 1.77 1.55 1.20 0.00 0.00 173.24 177.46 2dn8 h PRO 23 N 7.53 0.00 -1.80 5.44 0.13 -1.90 -0.93 132.00 140.48 2dn8 h PRO 23 Ca -0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.94 2dn8 h PRO 23 Cb 1.06 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 31.98 2dn8 h PRO 23 CO 0.98 0.00 0.34 0.45 -0.23 0.00 0.00 178.00 179.55 2dn8 s SER 24 N -5.03 -0.54 1.23 1.44 0.15 -1.26 -4.81 113.70 104.88 2dn8 s SER 24 Ca 0.06 0.65 -0.18 0.00 0.70 0.00 0.00 55.95 57.18 2dn8 s SER 24 Cb 0.09 0.52 0.26 0.00 -1.71 0.00 0.00 66.02 65.18 2dn8 s SER 24 CO 0.54 -0.45 0.58 0.00 1.20 0.00 0.00 173.24 175.11 2dn8 n ALA 25 N 1.03 -3.42 0.00 5.45 0.00 -1.26 -4.54 120.51 117.77 2dn8 n ALA 25 Ca -0.15 -1.44 0.00 0.00 0.00 0.00 0.00 53.44 51.86 2dn8 n ALA 25 Cb 0.57 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 18.54 2dn8 n ALA 25 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2dn8 n GLY 26 N 1.88 -0.37 3.62 0.00 0.00 0.41 -4.60 105.19 106.13 2dn8 n GLY 26 Ca 0.06 -0.53 -0.03 0.00 0.00 0.00 0.00 46.02 45.52 2dn8 n GLY 26 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2dn8 s LYS 27 N -1.98 0.58 0.43 1.61 2.20 0.10 -1.29 119.74 121.40 2dn8 s LYS 27 Ca 0.00 1.38 -0.24 0.00 -0.36 0.00 0.00 55.97 56.75 2dn8 s LYS 27 Cb 0.00 0.70 -0.08 0.00 -1.51 0.00 0.00 37.83 36.94 2dn8 s LYS 27 CO 0.00 -0.19 1.22 -1.17 -0.36 0.00 0.00 175.35 174.85 2dn8 s LEU 28 N 2.64 4.11 0.11 5.43 2.96 -1.03 -0.85 118.68 132.05 2dn8 s LEU 28 Ca -0.06 2.46 0.00 0.00 -0.22 0.00 0.00 54.13 56.31 2dn8 s LEU 28 Cb -0.11 -4.08 0.00 0.00 0.50 0.00 0.00 46.19 42.50 2dn8 s LEU 28 CO -0.19 -0.89 0.00 0.35 -1.32 0.00 0.00 176.35 174.31 2dn8 n THR 29 N -0.19 0.87 -3.84 3.68 -2.24 -1.26 -1.65 114.28 109.65 2dn8 n THR 29 Ca 0.06 0.29 -0.01 0.00 -2.27 0.00 0.00 64.05 62.11 2dn8 n THR 29 Cb 0.46 -1.40 0.01 0.00 -2.10 0.00 0.00 70.33 67.31 2dn8 n THR 29 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2dn8 n GLN 30 N -3.41 0.40 -4.61 -0.78 10.64 -1.26 -4.40 117.38 113.97 2dn8 n GLN 30 Ca 0.00 -0.98 -0.30 0.00 -1.83 0.00 0.00 57.00 53.89 2dn8 n GLN 30 Cb 0.07 1.38 -0.09 0.00 -0.86 0.00 0.00 30.24 30.74 2dn8 n GLN 30 CO 0.00 0.00 0.00 1.52 -1.83 0.00 0.00 177.06 176.75 2dn8 s TYR 31 N -2.81 2.24 -0.03 2.61 -0.85 -1.26 -3.01 117.35 114.25 2dn8 s TYR 31 Ca 0.19 -0.78 0.04 0.00 -0.52 0.00 0.00 57.07 56.00 2dn8 s TYR 31 Cb -0.02 -1.74 0.06 0.00 0.38 0.00 0.00 41.96 40.64 2dn8 s TYR 31 CO 0.03 0.31 0.99 0.25 -1.52 0.00 0.00 175.55 175.61 2dn8 n THR 32 N -1.13 1.08 -4.27 -3.49 -2.24 -1.00 -4.94 114.28 98.28 2dn8 n THR 32 Ca -0.10 -1.16 -0.20 0.00 -2.27 0.00 0.00 64.05 60.32 2dn8 n THR 32 Cb 0.67 0.39 -0.13 0.00 -2.10 0.00 0.00 70.33 69.16 2dn8 n THR 32 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 2dn8 s VAL 33 N -1.28 1.19 0.90 2.28 -7.23 -1.26 -5.01 120.40 109.99 2dn8 s VAL 33 Ca 0.06 -1.20 -0.11 0.00 -1.81 0.00 0.00 61.98 58.92 2dn8 s VAL 33 Cb 0.05 -1.10 0.19 0.00 0.56 0.00 0.00 36.38 36.08 2dn8 s VAL 33 CO 0.01 -0.10 1.23 -1.83 -0.31 0.00 0.00 175.10 174.10 2dn8 s GLU 34 N -1.49 0.88 0.05 4.82 -1.05 -1.26 -4.80 118.70 115.85 2dn8 s GLU 34 Ca 0.01 -0.68 -0.37 0.00 -0.15 0.00 0.00 54.97 53.78 2dn8 s GLU 34 Cb -0.09 -1.99 -0.19 0.00 -0.44 0.00 0.00 34.13 31.42 2dn8 s GLU 34 CO 0.02 -2.17 1.03 -0.25 0.95 0.00 0.00 175.26 174.85 2dn8 n ASP 35 N -3.50 0.14 -4.25 0.83 8.00 -1.26 0.12 116.55 116.62 2dn8 n ASP 35 Ca 0.16 1.15 -0.37 0.00 0.71 0.00 0.00 54.79 56.43 2dn8 n ASP 35 Cb 0.60 -0.98 -0.04 0.00 -0.02 0.00 0.00 41.12 40.67 2dn8 n ASP 35 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2dn8 n GLY 36 N 1.74 -0.44 3.77 0.44 0.00 -1.19 -4.83 105.19 104.68 2dn8 n GLY 36 Ca 0.19 0.10 -0.41 0.00 0.00 0.00 0.00 46.02 45.91 2dn8 n GLY 36 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2dn8 s GLY 37 N -3.20 2.79 -0.12 -0.02 0.00 0.33 -4.64 107.32 102.46 2dn8 s GLY 37 Ca 0.75 1.49 -0.06 0.00 0.00 0.00 0.00 44.72 46.90 2dn8 s GLY 37 CO 0.92 2.23 0.08 -1.58 0.00 0.00 0.00 173.10 174.75 2dn8 s HIS 38 N -0.87 3.40 0.21 1.90 2.46 -1.26 -0.04 115.29 121.10 2dn8 s HIS 38 Ca 0.54 0.35 0.04 0.00 0.47 0.00 0.00 55.06 56.46 2dn8 s HIS 38 Cb -0.45 -1.92 -0.01 0.00 -0.13 0.00 0.00 32.58 30.07 2dn8 s HIS 38 CO 0.57 0.56 0.14 1.33 -2.47 0.00 0.00 174.74 174.86 2dn8 n VAL 39 N 2.30 0.00 -4.29 0.89 0.24 -1.23 -5.00 118.33 111.24 2dn8 n VAL 39 Ca -0.19 -1.43 -0.26 0.00 -2.04 0.00 0.00 64.34 60.43 2dn8 n VAL 39 Cb 0.54 0.64 -0.09 0.00 -1.47 0.00 0.00 33.84 33.46 2dn8 n VAL 39 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 2dn8 s GLU 40 N -2.84 2.11 -0.61 7.34 2.02 -1.26 -3.98 118.70 121.48 2dn8 s GLU 40 Ca 0.20 -1.31 -0.26 0.00 0.02 0.00 0.00 54.97 53.61 2dn8 s GLU 40 Cb 0.01 -2.15 -0.04 0.00 0.10 0.00 0.00 34.13 32.04 2dn8 s GLU 40 CO 0.14 0.42 2.07 0.00 0.02 0.00 0.00 175.26 177.90 2dn8 s ALA 41 N -1.88 1.87 0.00 5.21 0.00 -1.26 -0.96 121.76 124.73 2dn8 s ALA 41 Ca 0.27 -0.54 0.00 0.00 0.00 0.00 0.00 51.96 51.69 2dn8 s ALA 41 Cb -0.08 -4.36 0.00 0.00 0.00 0.00 0.00 23.12 18.68 2dn8 s ALA 41 CO 0.16 -4.28 0.00 0.41 0.00 0.00 0.00 175.76 172.05 2dn8 n GLY 42 N 5.97 0.54 1.47 0.00 0.00 -1.26 -4.89 105.19 107.02 2dn8 n GLY 42 Ca 0.29 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.22 2dn8 n GLY 42 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dn8 n SER 43 N 0.00 0.42 -4.27 1.61 7.64 -0.14 -4.94 113.62 113.95 2dn8 n SER 43 Ca 0.00 -1.38 -0.31 0.00 1.01 0.00 0.00 58.87 58.18 2dn8 n SER 43 Cb 0.00 -0.27 -0.16 0.00 -1.01 0.00 0.00 64.21 62.76 2dn8 n SER 43 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2dn8 s SER 44 N -2.60 3.05 -0.00 6.43 1.04 -1.26 -3.34 113.70 117.01 2dn8 s SER 44 Ca 0.26 -0.51 0.08 0.00 0.48 0.00 0.00 55.95 56.26 2dn8 s SER 44 Cb -0.01 -0.80 -0.10 0.00 0.10 0.00 0.00 66.02 65.20 2dn8 s SER 44 CO 0.17 0.25 0.28 0.00 0.98 0.00 0.00 173.24 174.92 2dn8 n TYR 45 N 2.91 0.00 -3.81 5.02 0.18 -0.53 -4.82 117.16 116.11 2dn8 n TYR 45 Ca -0.17 0.00 -0.03 0.00 1.88 0.00 0.00 57.90 59.57 2dn8 n TYR 45 Cb 0.52 -0.07 0.02 0.00 -0.38 0.00 0.00 39.34 39.43 2dn8 n TYR 45 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 2dn8 n ALA 46 N -1.41 -2.21 -2.31 -3.48 0.00 -1.14 -2.38 120.51 107.57 2dn8 n ALA 46 Ca 0.00 -0.91 -0.20 0.00 0.00 0.00 0.00 53.44 52.34 2dn8 n ALA 46 Cb 0.16 0.54 -0.08 0.00 0.00 0.00 0.00 19.45 20.07 2dn8 n ALA 46 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2dn8 s GLU 47 N -2.05 1.79 0.17 0.00 8.01 -1.16 0.11 118.70 125.57 2dn8 s GLU 47 Ca 0.19 -2.05 -0.23 0.00 0.01 0.00 0.00 54.97 52.89 2dn8 s GLU 47 Cb -0.03 0.25 0.06 0.00 -4.31 0.00 0.00 34.13 30.10 2dn8 s GLU 47 CO 0.05 -0.64 0.66 0.00 0.01 0.00 0.00 175.26 175.34 2dn8 s MET 48 N -3.45 1.33 -0.21 1.61 0.23 -0.03 -4.15 119.30 114.62 2dn8 s MET 48 Ca 0.39 -0.56 0.02 0.00 -1.03 0.00 0.00 55.69 54.51 2dn8 s MET 48 Cb 0.02 0.57 0.03 0.00 -1.53 0.00 0.00 34.83 33.92 2dn8 s MET 48 CO 0.27 -0.59 -0.16 -2.00 -2.03 0.00 0.00 175.02 170.51 2dn8 s GLU 49 N -3.71 2.69 -0.01 3.16 2.12 -0.03 -0.62 118.70 122.31 2dn8 s GLU 49 Ca 0.04 -1.01 0.01 0.00 0.36 0.00 0.00 54.97 54.37 2dn8 s GLU 49 Cb -0.02 -2.67 0.00 0.00 0.26 0.00 0.00 34.13 31.70 2dn8 s GLU 49 CO -0.08 -0.34 -0.05 0.54 -0.54 0.00 0.00 175.26 174.79 2dn8 s VAL 50 N 1.23 0.40 -1.39 3.70 0.11 0.10 0.03 120.40 124.58 2dn8 s VAL 50 Ca -0.00 -0.18 -0.10 0.00 -2.93 0.00 0.00 61.98 58.77 2dn8 s VAL 50 Cb -0.16 -0.36 0.02 0.00 -1.53 0.00 0.00 36.38 34.36 2dn8 s VAL 50 CO -0.10 0.13 1.15 0.23 -3.33 0.00 0.00 175.10 173.18 2dn8 n MET 51 N 3.15 -7.57 -2.30 1.54 2.81 -1.26 -0.78 117.12 112.71 2dn8 n MET 51 Ca -0.15 0.79 -0.19 0.00 -1.81 0.00 0.00 57.70 56.34 2dn8 n MET 51 Cb 0.57 -5.82 -0.02 0.00 -0.71 0.00 0.00 33.22 27.24 2dn8 n MET 51 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 2dn8 n LYS 52 N -4.96 -1.75 -4.17 0.03 5.02 -1.26 -4.96 118.16 106.12 2dn8 n LYS 52 Ca 0.02 0.95 -0.17 0.00 -2.02 0.00 0.00 58.31 57.09 2dn8 n LYS 52 Cb 0.55 -5.57 -0.12 0.00 -0.02 0.00 0.00 35.03 29.88 2dn8 n LYS 52 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 2dn8 s MET 53 N -4.87 0.81 -0.20 1.97 -1.94 0.04 -5.14 119.30 109.98 2dn8 s MET 53 Ca 0.00 -1.00 -0.09 0.00 -1.71 0.00 0.00 55.69 52.88 2dn8 s MET 53 Cb 0.00 -0.70 -0.05 0.00 2.01 0.00 0.00 34.83 36.10 2dn8 s MET 53 CO 0.00 0.14 0.12 0.42 -0.01 0.00 0.00 175.02 175.69 2dn8 s ILE 54 N -1.64 5.28 0.00 2.53 -1.09 -1.26 0.01 121.20 125.03 2dn8 s ILE 54 Ca -0.00 0.14 0.02 0.00 -2.23 0.00 0.00 60.65 58.59 2dn8 s ILE 54 Cb -0.08 -3.40 -0.01 0.00 -1.58 0.00 0.00 42.46 37.39 2dn8 s ILE 54 CO 0.02 0.45 -0.08 -0.32 -1.23 0.00 0.00 174.94 173.77 2dn8 s MET 55 N 0.34 0.62 0.44 2.79 -2.45 0.21 -4.99 119.30 116.26 2dn8 s MET 55 Ca 0.07 -0.33 -0.22 0.00 -1.25 0.00 0.00 55.69 53.96 2dn8 s MET 55 Cb -0.11 -0.58 -0.09 0.00 1.25 0.00 0.00 34.83 35.29 2dn8 s MET 55 CO -0.02 0.16 1.02 0.99 1.05 0.00 0.00 175.02 178.22 2dn8 s THR 56 N -0.31 3.92 -0.30 10.11 2.01 -1.26 -0.85 115.64 128.96 2dn8 s THR 56 Ca 0.02 1.30 -0.04 0.00 0.31 0.00 0.00 61.69 63.27 2dn8 s THR 56 Cb -0.04 -3.59 0.03 0.00 0.01 0.00 0.00 72.50 68.92 2dn8 s THR 56 CO -0.00 -0.16 0.04 -0.76 -0.69 0.00 0.00 174.62 173.05 2dn8 s LEU 57 N -3.07 3.85 0.64 4.42 1.43 0.31 -4.84 118.68 121.42 2dn8 s LEU 57 Ca 0.62 -0.99 0.01 0.00 -1.03 0.00 0.00 54.13 52.74 2dn8 s LEU 57 Cb -0.17 -1.79 0.09 0.00 0.03 0.00 0.00 46.19 44.35 2dn8 s LEU 57 CO 0.21 -0.23 0.90 0.20 0.23 0.00 0.00 176.35 177.66 2dn8 s ASN 58 N 1.38 4.76 0.10 2.29 0.02 -1.26 -1.45 114.94 120.79 2dn8 s ASN 58 Ca -0.01 -0.25 0.02 0.00 -1.02 0.00 0.00 52.86 51.60 2dn8 s ASN 58 Cb -0.18 -0.34 -0.04 0.00 0.02 0.00 0.00 41.25 40.71 2dn8 s ASN 58 CO 0.00 -1.55 0.18 0.68 0.02 0.00 0.00 177.10 176.43 2dn8 s VAL 59 N -2.96 5.00 -1.34 1.60 -7.23 -1.21 -4.81 120.40 109.45 2dn8 s VAL 59 Ca 0.62 -0.66 0.17 0.00 -1.81 0.00 0.00 61.98 60.30 2dn8 s VAL 59 Cb -0.07 -3.48 0.27 0.00 0.56 0.00 0.00 36.38 33.66 2dn8 s VAL 59 CO 0.42 0.05 1.53 1.67 -0.31 0.00 0.00 175.10 178.45 2dn8 n GLN 60 N 0.06 0.20 0.00 4.82 7.27 -1.26 -4.49 117.38 123.97 2dn8 n GLN 60 Ca -0.07 0.14 0.00 0.00 0.07 0.00 0.00 57.00 57.14 2dn8 n GLN 60 Cb 0.52 -1.50 0.00 0.00 2.41 0.00 0.00 30.24 31.67 2dn8 n GLN 60 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52 2dn8 n GLU 61 N -1.33 0.00 -0.97 3.69 1.02 -1.26 -4.98 120.64 116.81 2dn8 n GLU 61 Ca 0.07 0.00 -0.31 0.00 -0.02 0.00 0.00 57.16 56.90 2dn8 n GLU 61 Cb 0.15 0.00 0.01 0.00 -0.02 0.00 0.00 31.44 31.58 2dn8 n GLU 61 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20 2dn8 n ARG 62 N -0.80 0.00 0.00 3.49 0.00 -1.26 -4.76 116.66 113.32 2dn8 n ARG 62 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 2dn8 n ARG 62 Cb 0.00 -0.81 0.00 0.00 -0.00 0.00 0.00 32.46 31.65 2dn8 n ARG 62 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2dn8 n GLY 63 N 2.14 3.95 3.72 2.89 0.00 -1.26 -4.28 105.19 112.36 2dn8 n GLY 63 Ca 0.05 -1.33 -0.40 0.00 0.00 0.00 0.00 46.02 44.34 2dn8 n GLY 63 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2dn8 s ARG 64 N -2.65 4.46 0.35 1.61 0.52 -1.01 -3.48 118.95 118.77 2dn8 s ARG 64 Ca 0.00 0.99 -0.17 0.00 -0.52 0.00 0.00 55.73 56.04 2dn8 s ARG 64 Cb 0.00 -3.44 -0.09 0.00 0.52 0.00 0.00 34.95 31.94 2dn8 s ARG 64 CO 0.00 0.07 0.80 0.08 0.02 0.00 0.00 175.30 176.27 2dn8 s VAL 65 N 0.72 4.60 0.15 3.52 1.01 0.95 -2.31 120.40 129.03 2dn8 s VAL 65 Ca 0.40 1.09 0.03 0.00 0.00 0.00 0.00 61.98 63.50 2dn8 s VAL 65 Cb -0.19 -3.61 -0.04 0.00 0.00 0.00 0.00 36.38 32.54 2dn8 s VAL 65 CO 0.20 -0.23 -0.04 -0.75 0.00 0.00 0.00 175.10 174.28 2dn8 s LYS 66 N -3.06 1.02 -0.22 2.72 2.36 -1.18 -2.90 119.74 118.49 2dn8 s LYS 66 Ca 0.56 -1.46 -0.19 0.00 -2.55 0.00 0.00 55.97 52.33 2dn8 s LYS 66 Cb -0.10 -0.35 -0.03 0.00 -1.05 0.00 0.00 37.83 36.30 2dn8 s LYS 66 CO 0.16 -0.04 0.56 -0.47 1.55 0.00 0.00 175.35 177.11 2dn8 s TYR 67 N -3.55 3.34 0.00 4.03 5.04 -1.26 -3.86 117.35 121.09 2dn8 s TYR 67 Ca 0.19 0.78 0.00 0.00 -2.44 0.00 0.00 57.07 55.60 2dn8 s TYR 67 Cb 0.05 -2.73 0.00 0.00 0.35 0.00 0.00 41.96 39.63 2dn8 s TYR 67 CO 0.01 -0.19 0.00 -0.89 -1.34 0.00 0.00 175.55 173.14 2dn8 n ILE 68 N 4.80 0.00 -3.19 3.14 2.08 -1.25 -4.95 119.36 119.99 2dn8 n ILE 68 Ca -0.03 0.01 -0.39 0.00 0.56 0.00 0.00 62.75 62.90 2dn8 n ILE 68 Cb 0.50 -0.96 -0.06 0.00 -0.75 0.00 0.00 39.64 38.37 2dn8 n ILE 68 CO 0.00 0.00 0.00 -0.54 0.56 0.00 0.00 176.55 176.57 2dn8 s LYS 69 N -0.91 4.32 0.60 0.38 -0.14 -0.95 -5.04 119.74 118.01 2dn8 s LYS 69 Ca 0.00 0.75 -0.20 0.00 -1.36 0.00 0.00 55.97 55.16 2dn8 s LYS 69 Cb 0.00 -3.34 -0.03 0.00 -1.68 0.00 0.00 37.83 32.78 2dn8 s LYS 69 CO 0.00 0.37 1.33 0.54 -0.76 0.00 0.00 175.35 176.83 2dn8 n ARG 70 N 2.70 1.41 -2.40 1.68 3.00 -1.26 -4.91 116.66 116.88 2dn8 n ARG 70 Ca -0.07 0.53 -0.43 0.00 -0.01 0.00 0.00 57.85 57.88 2dn8 n ARG 70 Cb 0.51 -2.56 -0.02 0.00 0.00 0.00 0.00 32.46 30.39 2dn8 n ARG 70 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 2dn8 s PRO 71 N -3.13 4.09 0.00 5.56 0.04 -1.26 -3.07 135.00 137.23 2dn8 s PRO 71 Ca 0.77 1.52 0.00 0.00 0.04 0.00 0.00 61.00 63.33 2dn8 s PRO 71 Cb -0.40 -3.83 0.00 0.00 0.04 0.00 0.00 34.50 30.31 2dn8 s PRO 71 CO 0.45 -0.90 0.00 0.41 0.04 0.00 0.00 177.00 177.00 2dn8 n GLY 72 N 3.95 0.60 3.77 0.56 0.00 -0.66 -4.86 105.19 108.55 2dn8 n GLY 72 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 2dn8 n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dn8 s ALA 73 N -1.55 1.54 -0.33 4.61 0.00 -1.17 -4.78 121.76 120.08 2dn8 s ALA 73 Ca 0.00 -0.90 -0.18 0.00 0.00 0.00 0.00 51.96 50.88 2dn8 s ALA 73 Cb 0.00 -2.89 -0.01 0.00 0.00 0.00 0.00 23.12 20.22 2dn8 s ALA 73 CO 0.00 -2.78 0.50 0.54 0.00 0.00 0.00 175.76 174.02 2dn8 s VAL 74 N -3.40 5.04 -0.16 0.00 0.11 -1.26 -2.46 120.40 118.26 2dn8 s VAL 74 Ca 0.70 0.42 -0.27 0.00 -2.93 0.00 0.00 61.98 59.90 2dn8 s VAL 74 Cb -0.09 -3.92 -0.01 0.00 -1.53 0.00 0.00 36.38 30.83 2dn8 s VAL 74 CO 0.54 -0.14 0.93 -0.76 -3.33 0.00 0.00 175.10 172.33 2dn8 s LEU 75 N 2.35 4.18 0.20 2.54 2.01 -0.41 -4.93 118.68 124.61 2dn8 s LEU 75 Ca 0.19 1.32 0.11 0.00 0.01 0.00 0.00 54.13 55.75 2dn8 s LEU 75 Cb -0.16 -3.39 -0.04 0.00 0.01 0.00 0.00 46.19 42.61 2dn8 s LEU 75 CO 0.12 -0.47 -0.22 -1.61 1.01 0.00 0.00 176.35 175.18 2dn8 s GLU 76 N 2.34 1.48 0.04 1.70 8.01 -1.26 0.16 118.70 131.16 2dn8 s GLU 76 Ca 0.42 -1.52 -0.30 0.00 0.01 0.00 0.00 54.97 53.58 2dn8 s GLU 76 Cb -0.17 -1.71 -0.08 0.00 -4.31 0.00 0.00 34.13 27.86 2dn8 s GLU 76 CO 0.13 0.36 1.78 0.00 0.01 0.00 0.00 175.26 177.54 2dn8 s ALA 77 N -1.85 3.65 -0.25 5.21 0.00 -1.26 -2.74 121.76 124.52 2dn8 s ALA 77 Ca 0.21 1.22 -0.01 0.00 0.00 0.00 0.00 51.96 53.38 2dn8 s ALA 77 Cb -0.07 -3.77 -0.01 0.00 0.00 0.00 0.00 23.12 19.28 2dn8 s ALA 77 CO 0.10 -1.34 0.21 0.41 0.00 0.00 0.00 175.76 175.13 2dn8 n GLY 78 N 4.24 0.36 3.45 0.00 0.00 -0.35 -4.94 105.19 107.94 2dn8 n GLY 78 Ca 0.18 -0.24 -0.22 0.00 0.00 0.00 0.00 46.02 45.75 2dn8 n GLY 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dn8 s VAL 80 N -3.34 5.47 0.02 0.00 0.11 -1.26 0.82 120.40 122.22 2dn8 s VAL 80 Ca 0.34 0.24 -0.01 0.00 -2.93 0.00 0.00 61.98 59.63 2dn8 s VAL 80 Cb 0.07 -3.43 -0.01 0.00 -1.53 0.00 0.00 36.38 31.49 2dn8 s VAL 80 CO 0.15 0.60 -0.03 0.52 -3.33 0.00 0.00 175.10 173.01 2dn8 n VAL 81 N 2.14 0.60 -3.90 2.04 0.31 -1.01 -4.79 118.33 113.72 2dn8 n VAL 81 Ca -0.19 0.15 -0.11 0.00 -0.01 0.00 0.00 64.34 64.18 2dn8 n VAL 81 Cb 0.55 -1.58 -0.01 0.00 -0.91 0.00 0.00 33.84 31.89 2dn8 n VAL 81 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2dn8 n ALA 82 N -3.29 -0.74 -2.73 3.52 0.00 -1.24 -2.24 120.51 113.79 2dn8 n ALA 82 Ca -0.03 -1.33 -0.24 0.00 0.00 0.00 0.00 53.44 51.84 2dn8 n ALA 82 Cb 0.32 1.07 -0.06 0.00 0.00 0.00 0.00 19.45 20.78 2dn8 n ALA 82 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2dn8 s ARG 83 N -2.49 2.61 -0.18 0.00 1.81 -1.25 -2.18 118.95 117.26 2dn8 s ARG 83 Ca 0.22 -1.15 0.01 0.00 -1.72 0.00 0.00 55.73 53.09 2dn8 s ARG 83 Cb -0.02 -2.41 0.04 0.00 -0.45 0.00 0.00 34.95 32.11 2dn8 s ARG 83 CO 0.16 0.42 -0.11 -1.17 -0.68 0.00 0.00 175.30 173.92 2dn8 s LEU 84 N -3.46 2.05 -0.72 2.53 0.20 0.39 -3.09 118.68 116.60 2dn8 s LEU 84 Ca 0.31 -0.76 -0.15 0.00 0.69 0.00 0.00 54.13 54.22 2dn8 s LEU 84 Cb -0.08 -1.18 0.18 0.00 -0.43 0.00 0.00 46.19 44.69 2dn8 s LEU 84 CO 0.22 -0.13 0.66 -0.70 -0.29 0.00 0.00 176.35 176.11 2dn8 s GLU 85 N 1.45 3.36 -0.45 1.98 2.56 -0.98 -4.41 118.70 122.21 2dn8 s GLU 85 Ca 0.00 -2.17 -0.45 0.00 0.00 0.00 0.00 54.97 52.35 2dn8 s GLU 85 Cb -0.15 -4.37 -0.19 0.00 2.00 0.00 0.00 34.13 31.42 2dn8 s GLU 85 CO -0.09 -1.30 1.73 1.28 -0.56 0.00 0.00 175.26 176.32 2dn8 n LEU 86 N 4.46 1.43 -1.15 2.70 4.77 -1.26 -2.40 117.00 125.54 2dn8 n LEU 86 Ca 0.03 1.06 0.04 0.00 -0.03 0.00 0.00 56.01 57.12 2dn8 n LEU 86 Cb 0.44 -0.95 0.22 0.00 -2.33 0.00 0.00 43.42 40.80 2dn8 n LEU 86 CO 0.41 -0.74 0.61 -0.90 -1.33 0.00 0.00 177.39 175.44 2dn8 n ASP 87 N 5.04 3.30 -2.69 -1.43 5.68 -1.26 -4.50 116.55 120.69 2dn8 n ASP 87 Ca 0.34 -2.40 0.00 0.00 -0.50 0.00 0.00 54.79 52.24 2dn8 n ASP 87 Cb -0.01 -0.53 0.02 0.00 -1.14 0.00 0.00 41.12 39.46 2dn8 n ASP 87 CO 0.00 0.00 0.00 -1.81 -1.33 0.00 0.00 177.20 174.06 2dn8 s ASP 88 N -0.56 -0.15 0.43 -1.12 1.11 -1.26 -5.01 116.67 110.12 2dn8 s ASP 88 Ca 0.30 -0.11 0.24 0.00 0.18 0.00 0.00 52.55 53.16 2dn8 s ASP 88 Cb 0.21 0.19 0.71 0.00 1.07 0.00 0.00 42.92 45.09 2dn8 s ASP 88 CO 0.11 -0.01 1.73 1.55 1.18 0.00 0.00 175.17 179.73 2dn8 h PRO 89 N 4.79 0.00 0.00 8.23 0.13 -1.99 -3.45 132.00 139.71 2dn8 h PRO 89 Ca -0.04 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.09 2dn8 h PRO 89 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2dn8 h PRO 89 CO -0.11 0.18 0.00 0.45 -0.23 0.00 0.00 178.00 178.29 2dn8 n SER 90 N -3.23 -1.18 -0.83 1.44 2.88 -1.26 -5.15 113.62 106.29 2dn8 n SER 90 Ca 0.02 0.43 0.00 0.00 -1.33 0.00 0.00 58.87 57.98 2dn8 n SER 90 Cb 0.49 1.35 0.00 0.00 -0.75 0.00 0.00 64.21 65.29 2dn8 n SER 90 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 2dn8 n LYS 91 N -2.72 -1.80 -3.79 -1.46 0.00 -1.26 -5.08 118.16 102.05 2dn8 n LYS 91 Ca 0.00 1.46 -0.13 0.00 0.00 0.00 0.00 58.31 59.64 2dn8 n LYS 91 Cb 0.00 -1.39 -0.11 0.00 0.00 0.00 0.00 35.03 33.52 2dn8 n LYS 91 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 2dn8 s VAL 92 N -0.72 0.00 0.15 3.15 1.01 -1.26 -5.16 120.40 117.57 2dn8 s VAL 92 Ca 0.00 -0.03 0.02 0.00 0.00 0.00 0.00 61.98 61.97 2dn8 s VAL 92 Cb 0.00 -0.36 -0.04 0.00 0.00 0.00 0.00 36.38 35.98 2dn8 s VAL 92 CO 0.00 -0.01 0.29 -1.00 0.00 0.00 0.00 175.10 174.38 2dn8 s HIS 93 N 0.07 3.49 -1.14 5.22 3.76 -1.26 -4.99 115.29 120.43 2dn8 s HIS 93 Ca -0.01 0.15 -0.19 0.00 -0.15 0.00 0.00 55.06 54.87 2dn8 s HIS 93 Cb -0.02 -1.69 -0.05 0.00 1.11 0.00 0.00 32.58 31.93 2dn8 s HIS 93 CO 0.00 0.51 2.01 -0.35 -0.85 0.00 0.00 174.74 176.06 2dn8 n PRO 94 N -0.49 2.23 -0.01 8.40 -0.04 -1.26 -4.62 135.00 139.21 2dn8 n PRO 94 Ca -0.07 -2.40 -0.00 0.00 -0.04 0.00 0.00 63.50 60.99 2dn8 n PRO 94 Cb 0.54 -3.24 -0.00 0.00 -0.04 0.00 0.00 33.50 30.75 2dn8 n PRO 94 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 2dn8 h SER 95 N 7.43 0.00 -4.36 3.54 0.02 -2.06 -3.52 113.55 114.60 2dn8 h SER 95 Ca 0.45 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.40 2dn8 h SER 95 Cb 0.72 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.26 2dn8 h SER 95 CO 1.77 0.06 0.00 0.61 -1.14 0.00 0.00 176.83 178.13 2dn8 n GLY 96 N 1.85 3.65 3.56 -3.77 0.00 -1.26 -5.00 105.19 104.22 2dn8 n GLY 96 Ca -0.00 -1.74 -0.36 0.00 0.00 0.00 0.00 46.02 43.92 2dn8 n GLY 96 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dn8 s PRO 97 N -2.66 3.03 -0.12 1.61 0.04 -1.26 -4.64 135.00 131.00 2dn8 s PRO 97 Ca 0.00 -0.46 0.24 0.00 0.04 0.00 0.00 61.00 60.81 2dn8 s PRO 97 Cb 0.00 -4.95 0.45 0.00 0.04 0.00 0.00 34.50 30.03 2dn8 s PRO 97 CO 0.00 -2.69 1.15 0.43 0.04 0.00 0.00 177.00 175.93 2dn8 n SER 98 N 11.29 1.10 0.27 6.66 7.64 -1.26 -4.86 113.62 134.47 2dn8 n SER 98 Ca 0.30 -2.01 0.17 0.00 1.01 0.00 0.00 58.87 58.33 2dn8 n SER 98 Cb 0.49 -0.33 0.91 0.00 -1.01 0.00 0.00 64.21 64.28 2dn8 n SER 98 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 2dn8 h SER 99 N 1.63 0.00 0.00 6.43 4.64 -2.05 -3.56 113.55 120.64 2dn8 h SER 99 Ca -0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.11 2dn8 h SER 99 Cb 1.61 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.70 2dn8 h SER 99 CO 0.11 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.68