#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dn8 s SER 2 N 0.00 -0.07 0.38 1.61 1.04 -1.26 -5.10 113.70 110.31 2dn8 s SER 2 Ca 0.00 -0.08 0.00 0.00 0.48 0.00 0.00 55.95 56.35 2dn8 s SER 2 Cb 0.00 0.13 0.00 0.00 0.10 0.00 0.00 66.02 66.25 2dn8 s SER 2 CO 0.00 -0.24 0.00 -1.20 0.98 0.00 0.00 173.24 172.78 2dn8 n SER 3 N -0.35 -2.15 0.00 7.02 7.64 -1.26 -5.18 113.62 119.34 2dn8 n SER 3 Ca -0.05 0.70 0.00 0.00 1.01 0.00 0.00 58.87 60.53 2dn8 n SER 3 Cb 0.61 2.12 0.00 0.00 -1.01 0.00 0.00 64.21 65.93 2dn8 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dn8 n GLY 4 N 0.09 1.48 3.62 0.23 0.00 -1.26 -5.12 105.19 104.23 2dn8 n GLY 4 Ca 0.00 -1.72 -0.13 0.00 0.00 0.00 0.00 46.02 44.17 2dn8 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dn8 s SER 5 N -0.48 -0.63 -0.04 1.61 0.01 -1.26 -5.18 113.70 107.74 2dn8 s SER 5 Ca 0.00 1.14 -0.29 0.00 1.31 0.00 0.00 55.95 58.11 2dn8 s SER 5 Cb 0.00 1.14 0.11 0.00 0.21 0.00 0.00 66.02 67.47 2dn8 s SER 5 CO 0.00 -0.26 0.91 -0.55 0.41 0.00 0.00 173.24 173.75 2dn8 s SER 6 N 0.11 -0.37 -0.30 2.44 0.15 -1.26 -5.16 113.70 109.31 2dn8 s SER 6 Ca -0.00 0.09 -0.19 0.00 0.70 0.00 0.00 55.95 56.55 2dn8 s SER 6 Cb -0.04 0.37 0.19 0.00 -1.71 0.00 0.00 66.02 64.82 2dn8 s SER 6 CO -0.00 -0.57 1.27 -0.83 1.20 0.00 0.00 173.24 174.31 2dn8 s GLY 7 N -2.21 0.16 -0.06 9.45 0.00 -1.26 -5.18 107.32 108.22 2dn8 s GLY 7 Ca 0.04 3.49 -0.29 0.00 0.00 0.00 0.00 44.72 47.95 2dn8 s GLY 7 CO -0.07 3.62 0.83 -1.08 0.00 0.00 0.00 173.10 176.40 2dn8 s THR 8 N 2.40 0.00 -0.91 0.90 -1.32 -1.26 -5.06 115.64 110.39 2dn8 s THR 8 Ca -0.03 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.45 2dn8 s THR 8 Cb -0.03 -1.00 0.33 0.00 -1.51 0.00 0.00 72.50 70.29 2dn8 s THR 8 CO -0.13 0.00 1.68 0.00 -2.21 0.00 0.00 174.62 173.97 2dn8 s VAL 10 N -4.50 5.15 -0.07 0.00 1.01 -1.26 -5.11 120.40 115.62 2dn8 s VAL 10 Ca 0.43 -0.64 -0.19 0.00 0.00 0.00 0.00 61.98 61.58 2dn8 s VAL 10 Cb 0.25 -3.58 0.04 0.00 0.00 0.00 0.00 36.38 33.09 2dn8 s VAL 10 CO -0.17 0.02 0.43 0.12 0.00 0.00 0.00 175.10 175.49 2dn8 s PHE 11 N -1.62 -0.37 -0.50 5.22 5.36 -1.26 -5.11 117.98 119.70 2dn8 s PHE 11 Ca 0.34 0.72 0.06 0.00 -0.96 0.00 0.00 56.93 57.09 2dn8 s PHE 11 Cb -0.12 0.18 0.21 0.00 -0.34 0.00 0.00 43.02 42.95 2dn8 s PHE 11 CO 0.27 -0.40 0.79 0.39 -1.46 0.00 0.00 175.22 174.81 2dn8 n GLU 12 N 1.63 0.59 -2.38 10.12 1.02 -1.26 -5.06 120.64 125.31 2dn8 n GLU 12 Ca -0.19 -1.90 -0.43 0.00 -0.02 0.00 0.00 57.16 54.62 2dn8 n GLU 12 Cb 0.56 -1.41 0.00 0.00 -0.02 0.00 0.00 31.44 30.57 2dn8 n GLU 12 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 2dn8 n LYS 13 N 2.55 3.24 -3.13 3.49 4.81 -1.26 -4.71 118.16 123.15 2dn8 n LYS 13 Ca 0.15 -3.28 -0.18 0.00 -0.87 0.00 0.00 58.31 54.12 2dn8 n LYS 13 Cb 0.58 -3.21 -0.05 0.00 0.02 0.00 0.00 35.03 32.37 2dn8 n LYS 13 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 2dn8 n GLU 14 N 6.12 0.39 -2.42 1.64 0.00 -1.26 -5.05 120.64 120.07 2dn8 n GLU 14 Ca 0.45 -2.74 -0.01 0.00 0.00 0.00 0.00 57.16 54.86 2dn8 n GLU 14 Cb 0.41 -1.54 -0.01 0.00 0.00 0.00 0.00 31.44 30.30 2dn8 n GLU 14 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 2dn8 n ASN 15 N 2.62 -7.80 -2.92 4.31 3.02 -1.26 -5.06 115.26 108.17 2dn8 n ASN 15 Ca 0.24 1.79 0.00 0.00 -0.03 0.00 0.00 54.58 56.58 2dn8 n ASN 15 Cb 0.52 -5.30 0.00 0.00 -0.61 0.00 0.00 39.78 34.40 2dn8 n ASN 15 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 2dn8 s ASP 16 N -0.62 -0.88 -0.56 6.41 1.01 -1.26 -5.04 116.67 115.73 2dn8 s ASP 16 Ca -0.06 -0.56 -0.06 0.00 0.71 0.00 0.00 52.55 52.58 2dn8 s ASP 16 Cb 0.00 1.13 -0.14 0.00 1.01 0.00 0.00 42.92 44.93 2dn8 s ASP 16 CO 0.16 -0.08 2.67 -0.81 0.21 0.00 0.00 175.17 177.32 2dn8 n PRO 17 N 3.78 2.08 -0.04 8.23 -0.04 -1.26 -3.83 135.00 143.92 2dn8 n PRO 17 Ca 0.09 -1.21 -0.10 0.00 -0.04 0.00 0.00 63.50 62.24 2dn8 n PRO 17 Cb 0.60 -2.20 -0.03 0.00 -0.04 0.00 0.00 33.50 31.83 2dn8 n PRO 17 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2dn8 n THR 18 N 3.23 0.83 -2.78 0.52 -2.24 -1.26 -4.79 114.28 107.79 2dn8 n THR 18 Ca 0.44 -0.03 -0.43 0.00 -2.27 0.00 0.00 64.05 61.77 2dn8 n THR 18 Cb 0.45 -1.73 -0.04 0.00 -2.10 0.00 0.00 70.33 66.92 2dn8 n THR 18 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2dn8 s VAL 19 N -2.26 4.50 -1.05 2.28 0.11 -1.25 0.18 120.40 122.91 2dn8 s VAL 19 Ca -0.15 1.10 -0.21 0.00 -2.93 0.00 0.00 61.98 59.79 2dn8 s VAL 19 Cb 0.05 -4.40 0.07 0.00 -1.53 0.00 0.00 36.38 30.58 2dn8 s VAL 19 CO 0.19 -0.67 1.43 -0.76 -3.33 0.00 0.00 175.10 171.96 2dn8 s LEU 20 N 3.68 3.92 0.40 2.54 1.43 -0.70 -4.96 118.68 124.99 2dn8 s LEU 20 Ca 0.39 -1.79 -0.16 0.00 -1.03 0.00 0.00 54.13 51.54 2dn8 s LEU 20 Cb -0.11 -2.53 -0.09 0.00 0.03 0.00 0.00 46.19 43.49 2dn8 s LEU 20 CO 0.22 -1.34 0.85 -0.13 0.23 0.00 0.00 176.35 176.18 2dn8 s ARG 21 N 4.27 4.03 -0.02 1.70 0.52 -1.26 -2.76 118.95 125.42 2dn8 s ARG 21 Ca 0.45 0.82 -0.30 0.00 -0.52 0.00 0.00 55.73 56.18 2dn8 s ARG 21 Cb -0.00 -2.30 -0.05 0.00 0.52 0.00 0.00 34.95 33.11 2dn8 s ARG 21 CO -0.07 0.00 1.42 0.45 0.02 0.00 0.00 175.30 177.12 2dn8 s SER 22 N -2.50 6.84 0.42 0.23 0.15 0.33 -4.87 113.70 114.30 2dn8 s SER 22 Ca 0.57 2.09 0.27 0.00 0.70 0.00 0.00 55.95 59.58 2dn8 s SER 22 Cb -0.10 -2.56 0.87 0.00 -1.71 0.00 0.00 66.02 62.53 2dn8 s SER 22 CO 0.20 -0.75 1.78 1.55 1.20 0.00 0.00 173.24 177.23 2dn8 h PRO 23 N 8.06 0.00 -2.43 5.44 0.13 -1.89 -0.88 132.00 140.43 2dn8 h PRO 23 Ca -0.37 0.00 0.06 0.00 -0.87 0.00 0.00 66.00 64.82 2dn8 h PRO 23 Cb 1.17 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.15 2dn8 h PRO 23 CO 0.91 0.00 0.40 0.45 -0.23 0.00 0.00 178.00 179.54 2dn8 s SER 24 N -5.48 -0.44 1.01 1.44 0.15 -1.26 -4.73 113.70 104.39 2dn8 s SER 24 Ca 0.05 0.06 -0.12 0.00 0.70 0.00 0.00 55.95 56.64 2dn8 s SER 24 Cb 0.08 0.45 0.20 0.00 -1.71 0.00 0.00 66.02 65.04 2dn8 s SER 24 CO 0.57 -0.70 1.08 0.00 1.20 0.00 0.00 173.24 175.39 2dn8 s ALA 25 N -3.08 0.69 0.00 5.45 0.00 -1.26 -4.30 121.76 119.26 2dn8 s ALA 25 Ca 0.03 0.01 0.00 0.00 0.00 0.00 0.00 51.96 51.99 2dn8 s ALA 25 Cb -0.01 -3.25 0.00 0.00 0.00 0.00 0.00 23.12 19.86 2dn8 s ALA 25 CO -0.09 -3.06 0.00 0.41 0.00 0.00 0.00 175.76 173.03 2dn8 n GLY 26 N -0.14 -0.73 3.02 0.00 0.00 0.45 -4.67 105.19 103.13 2dn8 n GLY 26 Ca 0.06 -0.12 -0.03 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.83 0.46 0.59 1.61 2.20 -0.82 -2.43 119.74 120.53 2dn8 s LYS 27 Ca 0.00 0.60 -0.18 0.00 -0.36 0.00 0.00 55.97 56.03 2dn8 s LYS 27 Cb 0.00 -0.02 -0.07 0.00 -1.51 0.00 0.00 37.83 36.24 2dn8 s LYS 27 CO 0.00 -0.78 0.72 -0.11 -0.36 0.00 0.00 175.35 174.83 2dn8 n LEU 28 N 5.39 2.15 0.00 5.43 7.94 -0.73 -1.82 117.00 135.36 2dn8 n LEU 28 Ca -0.01 0.76 0.00 0.00 -1.11 0.00 0.00 56.01 55.65 2dn8 n LEU 28 Cb 0.51 -1.27 0.00 0.00 0.53 0.00 0.00 43.42 43.19 2dn8 n LEU 28 CO 0.02 -2.52 0.00 0.35 -1.11 0.00 0.00 177.39 174.13 2dn8 n THR 29 N -1.75 0.00 -3.88 1.96 -2.24 -1.25 -3.51 114.28 103.60 2dn8 n THR 29 Ca 0.13 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.88 2dn8 n THR 29 Cb 0.48 -0.67 0.02 0.00 -2.10 0.00 0.00 70.33 68.05 2dn8 n THR 29 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2dn8 s GLN 30 N -0.88 1.22 0.11 -0.78 -2.07 -1.26 -3.89 119.66 112.12 2dn8 s GLN 30 Ca 0.00 -0.78 0.01 0.00 -1.82 0.00 0.00 55.36 52.77 2dn8 s GLN 30 Cb 0.00 0.35 -0.04 0.00 -1.09 0.00 0.00 33.01 32.23 2dn8 s GLN 30 CO 0.00 -0.57 0.25 0.71 -1.32 0.00 0.00 175.29 174.36 2dn8 s TYR 31 N -2.22 3.49 -1.76 9.60 2.02 -1.26 -3.13 117.35 124.10 2dn8 s TYR 31 Ca 0.22 0.17 0.23 0.00 -0.37 0.00 0.00 57.07 57.32 2dn8 s TYR 31 Cb -0.02 -1.70 0.05 0.00 -0.40 0.00 0.00 41.96 39.89 2dn8 s TYR 31 CO 0.05 0.55 1.12 0.25 -1.57 0.00 0.00 175.55 175.94 2dn8 n THR 32 N -0.20 0.00 -4.41 -0.71 -2.24 0.12 -4.92 114.28 101.92 2dn8 n THR 32 Ca -0.06 -0.18 -0.25 0.00 -2.27 0.00 0.00 64.05 61.29 2dn8 n THR 32 Cb 0.53 1.07 -0.10 0.00 -2.10 0.00 0.00 70.33 69.73 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 -2.61 2.71 0.83 2.28 -7.23 -1.25 -5.00 120.40 110.13 2dn8 s VAL 33 Ca 0.17 -2.19 -0.11 0.00 -1.81 0.00 0.00 61.98 58.04 2dn8 s VAL 33 Cb 0.18 -2.40 0.12 0.00 0.56 0.00 0.00 36.38 34.84 2dn8 s VAL 33 CO 0.63 -0.32 1.17 -1.83 -0.31 0.00 0.00 175.10 174.44 2dn8 s GLU 34 N -3.34 1.52 -0.35 4.82 -1.05 -1.26 -4.79 118.70 114.25 2dn8 s GLU 34 Ca 0.28 -0.29 -0.42 0.00 -0.15 0.00 0.00 54.97 54.39 2dn8 s GLU 34 Cb -0.06 -2.01 -0.17 0.00 -0.44 0.00 0.00 34.13 31.45 2dn8 s GLU 34 CO 0.15 -1.78 1.74 -3.47 0.95 0.00 0.00 175.26 172.85 2dn8 n ASP 35 N -3.33 2.03 -2.38 0.83 2.03 -1.26 0.16 116.55 114.64 2dn8 n ASP 35 Ca 0.11 1.07 -0.18 0.00 0.52 0.00 0.00 54.79 56.32 2dn8 n ASP 35 Cb 0.60 -1.07 0.02 0.00 -0.72 0.00 0.00 41.12 39.96 2dn8 n ASP 35 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2dn8 n GLY 36 N 4.34 -0.28 3.72 0.27 0.00 -1.24 -4.93 105.19 107.07 2dn8 n GLY 36 Ca 0.29 -0.07 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.70 1.72 0.09 -0.02 0.00 0.43 -4.73 107.32 102.10 2dn8 s GLY 37 Ca 0.21 1.28 -0.14 0.00 0.00 0.00 0.00 44.72 46.07 2dn8 s GLY 37 CO 0.26 2.52 0.49 -1.58 0.00 0.00 0.00 173.10 174.79 2dn8 s HIS 38 N 1.09 3.66 0.34 1.90 2.46 -1.26 -0.73 115.29 122.77 2dn8 s HIS 38 Ca 0.68 1.02 -0.02 0.00 0.47 0.00 0.00 55.06 57.21 2dn8 s HIS 38 Cb -0.41 -2.33 0.00 0.00 -0.13 0.00 0.00 32.58 29.71 2dn8 s HIS 38 CO 0.31 0.53 0.46 0.14 -2.47 0.00 0.00 174.74 173.71 2dn8 s VAL 39 N -1.30 0.00 0.00 0.89 -7.23 -1.06 -4.96 120.40 106.74 2dn8 s VAL 39 Ca 0.32 -1.62 0.00 0.00 -1.81 0.00 0.00 61.98 58.86 2dn8 s VAL 39 Cb -0.16 -2.64 0.00 0.00 0.56 0.00 0.00 36.38 34.14 2dn8 s VAL 39 CO 0.17 0.00 0.00 -1.84 -0.31 0.00 0.00 175.10 173.12 2dn8 n GLU 40 N -0.57 2.03 -3.05 4.82 0.28 -1.26 -1.99 120.64 120.89 2dn8 n GLU 40 Ca 0.01 0.00 -0.44 0.00 -0.16 0.00 0.00 57.16 56.57 2dn8 n GLU 40 Cb 0.62 0.00 -0.04 0.00 1.43 0.00 0.00 31.44 33.44 2dn8 n GLU 40 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2dn8 s ALA 41 N -2.00 3.34 0.00 -1.84 0.00 -1.26 -3.65 121.76 116.35 2dn8 s ALA 41 Ca 0.00 -2.15 0.00 0.00 0.00 0.00 0.00 51.96 49.81 2dn8 s ALA 41 Cb 0.00 -3.62 0.00 0.00 0.00 0.00 0.00 23.12 19.50 2dn8 s ALA 41 CO 0.00 -2.47 0.00 0.41 0.00 0.00 0.00 175.76 173.70 2dn8 n GLY 42 N 5.29 0.64 2.13 0.00 0.00 -1.23 -4.91 105.19 107.10 2dn8 n GLY 42 Ca -0.07 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.81 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 0.62 -4.08 1.61 7.64 -1.24 -4.92 113.62 113.25 2dn8 n SER 43 Ca 0.00 -1.56 -0.26 0.00 1.01 0.00 0.00 58.87 58.06 2dn8 n SER 43 Cb 0.00 -0.39 -0.16 0.00 -1.01 0.00 0.00 64.21 62.65 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 -3.31 2.04 -0.01 6.43 1.04 -1.26 -3.28 113.70 115.34 2dn8 s SER 44 Ca 0.37 -0.35 0.11 0.00 0.48 0.00 0.00 55.95 56.57 2dn8 s SER 44 Cb -0.02 -0.86 -0.16 0.00 0.10 0.00 0.00 66.02 65.08 2dn8 s SER 44 CO 0.25 0.08 0.29 0.00 0.98 0.00 0.00 173.24 174.84 2dn8 n TYR 45 N 3.62 0.00 -3.86 5.02 0.18 -0.58 -4.68 117.16 116.85 2dn8 n TYR 45 Ca -0.21 0.00 -0.09 0.00 1.88 0.00 0.00 57.90 59.48 2dn8 n TYR 45 Cb 0.52 -0.20 -0.00 0.00 -0.38 0.00 0.00 39.34 39.28 2dn8 n TYR 45 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 2dn8 s ALA 46 N -2.61 -0.77 0.34 -3.48 0.00 -1.17 0.14 121.76 114.21 2dn8 s ALA 46 Ca -0.02 -0.65 0.07 0.00 0.00 0.00 0.00 51.96 51.36 2dn8 s ALA 46 Cb 0.07 0.81 -0.03 0.00 0.00 0.00 0.00 23.12 23.98 2dn8 s ALA 46 CO 0.46 -0.98 0.27 0.39 0.00 0.00 0.00 175.76 175.90 2dn8 n GLU 47 N -0.49 0.42 -3.83 0.00 1.02 -1.18 0.14 120.64 116.71 2dn8 n GLU 47 Ca -0.05 -3.32 -0.09 0.00 -0.02 0.00 0.00 57.16 53.68 2dn8 n GLU 47 Cb 0.60 2.63 -0.03 0.00 -0.02 0.00 0.00 31.44 34.61 2dn8 n GLU 47 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2dn8 s MET 48 N -3.36 1.57 -0.32 3.49 0.23 0.24 -3.81 119.30 117.34 2dn8 s MET 48 Ca 0.38 -0.98 0.00 0.00 -1.03 0.00 0.00 55.69 54.06 2dn8 s MET 48 Cb 0.02 0.55 0.10 0.00 -1.53 0.00 0.00 34.83 33.97 2dn8 s MET 48 CO 0.27 -0.69 0.09 -2.00 -2.03 0.00 0.00 175.02 170.66 2dn8 s GLU 49 N -3.92 0.90 -0.02 3.16 2.12 -0.76 0.70 118.70 120.90 2dn8 s GLU 49 Ca 0.13 -1.29 0.06 0.00 0.36 0.00 0.00 54.97 54.22 2dn8 s GLU 49 Cb -0.03 -2.27 -0.01 0.00 0.26 0.00 0.00 34.13 32.08 2dn8 s GLU 49 CO 0.03 -0.99 -0.20 0.54 -0.54 0.00 0.00 175.26 174.10 2dn8 s VAL 50 N 1.40 1.60 -1.71 3.70 0.11 0.60 -1.95 120.40 124.15 2dn8 s VAL 50 Ca 0.10 -0.86 0.00 0.00 -2.93 0.00 0.00 61.98 58.29 2dn8 s VAL 50 Cb -0.18 -1.33 0.00 0.00 -1.53 0.00 0.00 36.38 33.34 2dn8 s VAL 50 CO -0.20 0.45 0.00 0.23 -3.33 0.00 0.00 175.10 172.25 2dn8 n MET 51 N 2.62 -1.56 -0.99 1.54 2.81 -1.26 -0.25 117.12 120.04 2dn8 n MET 51 Ca -0.15 0.97 0.00 0.00 -1.81 0.00 0.00 57.70 56.70 2dn8 n MET 51 Cb 0.53 -5.54 0.00 0.00 -0.71 0.00 0.00 33.22 27.50 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 -2.86 -0.91 -4.92 0.03 5.02 -1.26 -4.97 118.16 108.29 2dn8 n LYS 52 Ca -0.23 0.23 -0.33 0.00 -2.02 0.00 0.00 58.31 55.96 2dn8 n LYS 52 Cb 0.68 -3.94 -0.15 0.00 -0.02 0.00 0.00 35.03 31.60 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 -0.94 2.97 -0.18 1.97 -1.94 0.65 -5.10 119.30 116.74 2dn8 s MET 53 Ca 0.00 -0.74 -0.26 0.00 -1.71 0.00 0.00 55.69 52.98 2dn8 s MET 53 Cb 0.00 -2.46 -0.01 0.00 2.01 0.00 0.00 34.83 34.37 2dn8 s MET 53 CO 0.00 0.36 0.87 0.42 -0.01 0.00 0.00 175.02 176.65 2dn8 s ILE 54 N -0.04 4.85 -0.02 2.53 -1.09 -1.26 -0.29 121.20 125.87 2dn8 s ILE 54 Ca -0.04 1.70 0.07 0.00 -2.23 0.00 0.00 60.65 60.15 2dn8 s ILE 54 Cb -0.14 -4.17 -0.02 0.00 -1.58 0.00 0.00 42.46 36.55 2dn8 s ILE 54 CO 0.04 -0.01 -0.24 -0.32 -1.23 0.00 0.00 174.94 173.18 2dn8 s MET 55 N 2.32 2.15 0.36 2.79 -2.45 0.22 -4.95 119.30 119.75 2dn8 s MET 55 Ca 0.39 -0.90 -0.16 0.00 -1.25 0.00 0.00 55.69 53.76 2dn8 s MET 55 Cb -0.16 -2.09 -0.09 0.00 1.25 0.00 0.00 34.83 33.73 2dn8 s MET 55 CO 0.12 0.57 0.80 0.99 1.05 0.00 0.00 175.02 178.55 2dn8 s THR 56 N -0.65 4.60 -0.32 10.11 2.01 -1.26 0.83 115.64 130.96 2dn8 s THR 56 Ca 0.10 1.09 -0.02 0.00 0.31 0.00 0.00 61.69 63.17 2dn8 s THR 56 Cb -0.10 -3.62 0.06 0.00 0.01 0.00 0.00 72.50 68.85 2dn8 s THR 56 CO -0.00 -0.25 0.04 -0.76 -0.69 0.00 0.00 174.62 172.95 2dn8 s LEU 57 N -3.11 4.16 0.41 4.42 1.43 0.36 -4.86 118.68 121.49 2dn8 s LEU 57 Ca 0.56 -1.39 0.08 0.00 -1.03 0.00 0.00 54.13 52.35 2dn8 s LEU 57 Cb -0.10 -1.74 0.01 0.00 0.03 0.00 0.00 46.19 44.39 2dn8 s LEU 57 CO 0.17 -0.31 0.54 0.20 0.23 0.00 0.00 176.35 177.18 2dn8 s ASN 58 N 1.35 5.60 -0.01 2.29 0.01 -1.25 -1.53 114.94 121.40 2dn8 s ASN 58 Ca -0.02 -0.45 -0.01 0.00 -0.71 0.00 0.00 52.86 51.67 2dn8 s ASN 58 Cb -0.20 -0.68 -0.04 0.00 0.41 0.00 0.00 41.25 40.74 2dn8 s ASN 58 CO -0.01 -0.73 0.12 0.68 -1.51 0.00 0.00 177.10 175.65 2dn8 s VAL 59 N -2.36 4.98 -0.12 1.60 -7.23 -1.21 -4.92 120.40 111.16 2dn8 s VAL 59 Ca 0.54 -0.32 0.22 0.00 -1.81 0.00 0.00 61.98 60.60 2dn8 s VAL 59 Cb -0.09 -3.30 0.22 0.00 0.56 0.00 0.00 36.38 33.77 2dn8 s VAL 59 CO 0.32 0.34 1.66 1.56 -0.31 0.00 0.00 175.10 178.67 2dn8 h GLN 60 N 3.99 0.00 -2.59 4.82 4.20 -1.94 -3.26 115.11 120.33 2dn8 h GLN 60 Ca -0.49 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.12 2dn8 h GLN 60 Cb 1.18 0.00 -0.24 0.00 0.30 0.00 0.00 27.48 28.72 2dn8 h GLN 60 CO 0.65 0.23 -0.20 -1.21 -0.67 0.00 0.00 178.83 177.63 2dn8 s GLU 61 N -3.31 0.51 0.75 1.46 2.02 -1.26 -4.89 118.70 113.98 2dn8 s GLU 61 Ca 0.03 0.72 -0.15 0.00 0.02 0.00 0.00 54.97 55.59 2dn8 s GLU 61 Cb 0.08 0.17 -0.13 0.00 0.10 0.00 0.00 34.13 34.35 2dn8 s GLU 61 CO 0.67 -0.10 -0.54 0.54 0.02 0.00 0.00 175.26 175.85 2dn8 n ARG 62 N 3.35 0.00 0.00 1.61 1.74 -1.26 -4.69 116.66 117.41 2dn8 n ARG 62 Ca -0.17 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.91 2dn8 n ARG 62 Cb 0.56 -0.87 0.00 0.00 -1.02 0.00 0.00 32.46 31.13 2dn8 n ARG 62 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2dn8 n GLY 63 N 2.82 3.25 3.76 -0.13 0.00 -0.84 -4.54 105.19 109.49 2dn8 n GLY 63 Ca 0.01 -1.26 -0.40 0.00 0.00 0.00 0.00 46.02 44.37 2dn8 n GLY 63 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2dn8 s ARG 64 N -2.26 4.50 0.06 1.61 3.52 -1.16 -2.55 118.95 122.67 2dn8 s ARG 64 Ca 0.00 1.07 -0.19 0.00 -0.13 0.00 0.00 55.73 56.48 2dn8 s ARG 64 Cb 0.00 -3.33 -0.07 0.00 -1.56 0.00 0.00 34.95 29.99 2dn8 s ARG 64 CO 0.00 0.37 0.56 0.08 -0.81 0.00 0.00 175.30 175.50 2dn8 s VAL 65 N -0.37 4.77 0.21 7.11 1.01 0.09 -2.29 120.40 130.93 2dn8 s VAL 65 Ca 0.37 1.19 0.07 0.00 0.00 0.00 0.00 61.98 63.61 2dn8 s VAL 65 Cb -0.21 -3.89 -0.05 0.00 0.00 0.00 0.00 36.38 32.23 2dn8 s VAL 65 CO 0.23 0.55 -0.11 -0.75 0.00 0.00 0.00 175.10 175.02 2dn8 s LYS 66 N -1.04 1.33 -0.16 2.72 2.20 -1.06 -3.51 119.74 120.23 2dn8 s LYS 66 Ca 0.29 -1.62 -0.19 0.00 -0.36 0.00 0.00 55.97 54.09 2dn8 s LYS 66 Cb -0.19 -1.01 -0.04 0.00 -1.51 0.00 0.00 37.83 35.09 2dn8 s LYS 66 CO 0.18 0.11 0.52 -0.47 -0.36 0.00 0.00 175.35 175.34 2dn8 s TYR 67 N -3.08 3.45 0.03 4.03 5.04 -1.26 -3.40 117.35 122.16 2dn8 s TYR 67 Ca 0.24 0.86 -0.03 0.00 -2.44 0.00 0.00 57.07 55.70 2dn8 s TYR 67 Cb 0.01 -2.63 -0.01 0.00 0.35 0.00 0.00 41.96 39.67 2dn8 s TYR 67 CO 0.07 0.02 -0.07 -0.89 -1.34 0.00 0.00 175.55 173.35 2dn8 n ILE 68 N 4.12 1.13 -4.50 3.14 2.08 -1.23 -4.88 119.36 119.21 2dn8 n ILE 68 Ca -0.05 0.29 -0.34 0.00 0.56 0.00 0.00 62.75 63.20 2dn8 n ILE 68 Cb 0.51 -1.71 -0.10 0.00 -0.75 0.00 0.00 39.64 37.59 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 -2.16 2.88 0.47 0.38 -0.14 -1.04 -5.03 119.74 115.10 2dn8 s LYS 69 Ca -0.06 -0.48 -0.22 0.00 -1.36 0.00 0.00 55.97 53.85 2dn8 s LYS 69 Cb 0.01 -2.69 -0.09 0.00 -1.68 0.00 0.00 37.83 33.37 2dn8 s LYS 69 CO 0.08 0.67 0.89 0.54 -0.76 0.00 0.00 175.35 176.77 2dn8 n ARG 70 N 2.22 1.06 -2.40 1.68 1.74 -1.26 -4.87 116.66 114.83 2dn8 n ARG 70 Ca -0.18 0.39 -0.43 0.00 -0.77 0.00 0.00 57.85 56.86 2dn8 n ARG 70 Cb 0.53 -1.96 -0.02 0.00 -1.02 0.00 0.00 32.46 29.99 2dn8 n ARG 70 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2dn8 s PRO 71 N -2.11 4.19 0.00 5.56 0.04 -1.26 -3.06 135.00 138.36 2dn8 s PRO 71 Ca 0.66 1.64 0.00 0.00 0.04 0.00 0.00 61.00 63.34 2dn8 s PRO 71 Cb -0.52 -3.79 0.00 0.00 0.04 0.00 0.00 34.50 30.23 2dn8 s PRO 71 CO 0.55 -0.76 0.00 0.41 0.04 0.00 0.00 177.00 177.23 2dn8 n GLY 72 N 3.72 0.83 3.68 0.56 0.00 -1.23 -4.90 105.19 107.85 2dn8 n GLY 72 Ca 0.14 0.00 -0.29 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 -1.79 0.97 -0.38 4.61 0.00 -1.17 -4.73 121.76 119.27 2dn8 s ALA 73 Ca 0.00 -0.50 -0.24 0.00 0.00 0.00 0.00 51.96 51.22 2dn8 s ALA 73 Cb 0.00 -3.06 0.01 0.00 0.00 0.00 0.00 23.12 20.07 2dn8 s ALA 73 CO 0.00 -2.92 0.83 0.54 0.00 0.00 0.00 175.76 174.21 2dn8 s VAL 74 N -3.03 4.67 -0.16 0.00 0.11 -1.26 -1.77 120.40 118.97 2dn8 s VAL 74 Ca 0.66 0.91 -0.29 0.00 -2.93 0.00 0.00 61.98 60.33 2dn8 s VAL 74 Cb -0.17 -4.26 -0.01 0.00 -1.53 0.00 0.00 36.38 30.41 2dn8 s VAL 74 CO 0.57 -0.51 1.18 -0.76 -3.33 0.00 0.00 175.10 172.25 2dn8 s LEU 75 N 3.25 4.18 0.19 2.54 2.01 -1.02 -4.88 118.68 124.96 2dn8 s LEU 75 Ca 0.33 1.63 0.11 0.00 0.01 0.00 0.00 54.13 56.21 2dn8 s LEU 75 Cb -0.13 -3.54 -0.04 0.00 0.01 0.00 0.00 46.19 42.49 2dn8 s LEU 75 CO 0.18 -0.69 -0.23 -1.61 1.01 0.00 0.00 176.35 175.02 2dn8 s GLU 76 N 3.11 1.47 0.22 1.70 0.41 -1.26 0.17 118.70 124.52 2dn8 s GLU 76 Ca 0.52 -1.51 -0.31 0.00 -0.41 0.00 0.00 54.97 53.26 2dn8 s GLU 76 Cb -0.20 -1.74 -0.11 0.00 -1.78 0.00 0.00 34.13 30.30 2dn8 s GLU 76 CO 0.14 0.37 1.57 0.00 -0.49 0.00 0.00 175.26 176.86 2dn8 s ALA 77 N -1.75 3.77 -1.00 5.21 0.00 -1.26 -2.96 121.76 123.76 2dn8 s ALA 77 Ca 0.20 1.44 -0.04 0.00 0.00 0.00 0.00 51.96 53.56 2dn8 s ALA 77 Cb -0.07 -3.63 -0.05 0.00 0.00 0.00 0.00 23.12 19.37 2dn8 s ALA 77 CO 0.09 -0.84 0.87 0.41 0.00 0.00 0.00 175.76 176.29 2dn8 n GLY 78 N 3.11 -0.87 3.36 0.00 0.00 -0.34 -4.91 105.19 105.54 2dn8 n GLY 78 Ca 0.11 0.43 -0.18 0.00 0.00 0.00 0.00 46.02 46.38 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 -3.60 5.18 0.08 0.00 0.11 -1.26 0.12 120.40 121.03 2dn8 s VAL 80 Ca 0.36 0.68 0.00 0.00 -2.93 0.00 0.00 61.98 60.10 2dn8 s VAL 80 Cb 0.07 -3.65 0.00 0.00 -1.53 0.00 0.00 36.38 31.28 2dn8 s VAL 80 CO 0.15 0.53 0.00 0.52 -3.33 0.00 0.00 175.10 172.97 2dn8 n VAL 81 N 2.30 0.62 -4.07 2.04 0.31 -1.11 -4.80 118.33 113.62 2dn8 n VAL 81 Ca -0.14 0.21 -0.14 0.00 -0.01 0.00 0.00 64.34 64.26 2dn8 n VAL 81 Cb 0.53 -1.39 -0.04 0.00 -0.91 0.00 0.00 33.84 32.03 2dn8 n VAL 81 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2dn8 s ALA 82 N -2.00 0.57 0.27 3.52 0.00 -1.22 -2.48 121.76 120.42 2dn8 s ALA 82 Ca 0.00 -1.40 0.10 0.00 0.00 0.00 0.00 51.96 50.66 2dn8 s ALA 82 Cb 0.00 1.13 -0.05 0.00 0.00 0.00 0.00 23.12 24.20 2dn8 s ALA 82 CO 0.00 -0.80 -0.07 1.03 0.00 0.00 0.00 175.76 175.92 2dn8 s ARG 83 N -3.17 2.09 -0.11 0.00 1.81 -1.22 -1.72 118.95 116.64 2dn8 s ARG 83 Ca 0.29 -1.52 0.02 0.00 -1.72 0.00 0.00 55.73 52.80 2dn8 s ARG 83 Cb -0.00 -2.04 0.01 0.00 -0.45 0.00 0.00 34.95 32.47 2dn8 s ARG 83 CO 0.18 0.36 -0.17 -1.17 -0.68 0.00 0.00 175.30 173.82 2dn8 s LEU 84 N -3.60 1.81 -0.60 2.53 1.98 0.47 -2.58 118.68 118.69 2dn8 s LEU 84 Ca 0.31 -0.45 -0.06 0.00 -2.89 0.00 0.00 54.13 51.03 2dn8 s LEU 84 Cb -0.06 -1.14 0.16 0.00 0.66 0.00 0.00 46.19 45.80 2dn8 s LEU 84 CO 0.18 0.04 0.45 -0.70 -1.89 0.00 0.00 176.35 174.44 2dn8 s GLU 85 N 0.85 2.67 -0.43 1.98 2.56 -0.97 -4.58 118.70 120.78 2dn8 s GLU 85 Ca -0.09 -2.27 -0.45 0.00 0.00 0.00 0.00 54.97 52.16 2dn8 s GLU 85 Cb -0.15 -3.89 -0.19 0.00 2.00 0.00 0.00 34.13 31.90 2dn8 s GLU 85 CO 0.00 -1.19 1.67 1.28 -0.56 0.00 0.00 175.26 176.47 2dn8 n LEU 86 N 4.01 1.56 0.00 2.70 4.77 -1.26 -2.97 117.00 125.81 2dn8 n LEU 86 Ca 0.04 1.13 0.14 0.00 -0.03 0.00 0.00 56.01 57.28 2dn8 n LEU 86 Cb 0.40 -0.96 0.62 0.00 -2.33 0.00 0.00 43.42 41.15 2dn8 n LEU 86 CO 0.36 -0.71 0.95 -0.67 -1.33 0.00 0.00 177.39 175.99 2dn8 n ASP 87 N 4.64 0.00 -3.37 -1.43 2.03 -1.26 -4.29 116.55 112.87 2dn8 n ASP 87 Ca 0.31 0.36 -0.20 0.00 0.52 0.00 0.00 54.79 55.77 2dn8 n ASP 87 Cb 0.00 -0.45 -0.09 0.00 -0.72 0.00 0.00 41.12 39.86 2dn8 n ASP 87 CO 0.00 0.00 0.00 1.51 -1.92 0.00 0.00 177.20 176.79 2dn8 s ASP 88 N -2.90 1.54 0.92 1.67 1.47 -1.26 -5.11 116.67 112.99 2dn8 s ASP 88 Ca 0.17 -1.87 -0.13 0.00 1.18 0.00 0.00 52.55 51.90 2dn8 s ASP 88 Cb 0.18 0.29 0.14 0.00 -0.34 0.00 0.00 42.92 43.20 2dn8 s ASP 88 CO 0.49 -0.26 1.14 -2.16 0.68 0.00 0.00 175.17 175.07 2dn8 s PRO 89 N 1.20 1.07 0.53 2.11 0.04 -1.26 -4.80 135.00 133.89 2dn8 s PRO 89 Ca 0.19 0.26 0.00 0.00 0.04 0.00 0.00 61.00 61.49 2dn8 s PRO 89 Cb -0.15 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.55 2dn8 s PRO 89 CO -0.03 -2.24 0.00 0.45 0.04 0.00 0.00 177.00 175.22 2dn8 n SER 90 N -3.79 -8.48 -3.30 6.66 2.88 -1.26 -4.84 113.62 101.48 2dn8 n SER 90 Ca 0.07 1.30 -0.20 0.00 -1.33 0.00 0.00 58.87 58.71 2dn8 n SER 90 Cb 0.59 -4.76 0.02 0.00 -0.75 0.00 0.00 64.21 59.31 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 -1.10 -1.39 -3.42 -1.46 0.00 -1.26 -4.89 118.16 104.63 2dn8 n LYS 91 Ca 0.00 1.29 -0.32 0.00 0.00 0.00 0.00 58.31 59.27 2dn8 n LYS 91 Cb 0.06 -2.02 -0.06 0.00 0.00 0.00 0.00 35.03 33.00 2dn8 n LYS 91 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 2dn8 n VAL 92 N 0.43 3.06 -2.83 3.15 0.31 -1.26 -4.87 118.33 116.32 2dn8 n VAL 92 Ca -0.04 -5.33 0.01 0.00 -0.01 0.00 0.00 64.34 58.98 2dn8 n VAL 92 Cb 0.56 -2.15 0.00 0.00 -0.91 0.00 0.00 33.84 31.35 2dn8 n VAL 92 CO 0.00 0.00 0.00 -1.38 -1.32 0.00 0.00 176.83 174.13 2dn8 s HIS 93 N -2.26 -0.58 0.45 3.52 -3.43 -1.26 -5.16 115.29 106.56 2dn8 s HIS 93 Ca 0.34 0.07 -0.22 0.00 -0.80 0.00 0.00 55.06 54.46 2dn8 s HIS 93 Cb 0.07 0.11 -0.09 0.00 -1.43 0.00 0.00 32.58 31.24 2dn8 s HIS 93 CO -0.02 -0.40 1.04 -1.25 -2.00 0.00 0.00 174.74 172.11 2dn8 s PRO 94 N 1.90 3.96 0.35 -0.38 0.04 -1.26 -5.06 135.00 134.55 2dn8 s PRO 94 Ca 0.15 1.43 0.07 0.00 0.04 0.00 0.00 61.00 62.69 2dn8 s PRO 94 Cb 0.02 -2.29 -0.01 0.00 0.04 0.00 0.00 34.50 32.26 2dn8 s PRO 94 CO -0.13 -0.30 0.45 0.45 0.04 0.00 0.00 177.00 177.51 2dn8 s SER 95 N -1.79 5.82 -0.10 6.66 0.15 -1.26 -5.12 113.70 118.06 2dn8 s SER 95 Ca 0.63 -0.27 0.02 0.00 0.70 0.00 0.00 55.95 57.03 2dn8 s SER 95 Cb -0.19 -1.11 -0.02 0.00 -1.71 0.00 0.00 66.02 62.99 2dn8 s SER 95 CO 0.23 -0.46 -0.16 -0.83 1.20 0.00 0.00 173.24 173.22 2dn8 s GLY 96 N -4.17 1.49 1.02 9.45 0.00 -1.26 -5.13 107.32 108.72 2dn8 s GLY 96 Ca 0.46 -0.94 -0.16 0.00 0.00 0.00 0.00 44.72 44.08 2dn8 s GLY 96 CO 0.31 -0.42 1.19 2.56 0.00 0.00 0.00 173.10 176.74 2dn8 s PRO 97 N -0.00 0.22 -0.30 2.90 0.04 -1.26 -5.09 135.00 131.50 2dn8 s PRO 97 Ca -0.05 -0.06 -0.17 0.00 0.04 0.00 0.00 61.00 60.76 2dn8 s PRO 97 Cb -0.14 -1.76 0.19 0.00 0.04 0.00 0.00 34.50 32.82 2dn8 s PRO 97 CO 0.04 -2.75 1.19 0.45 0.04 0.00 0.00 177.00 175.97 2dn8 s SER 98 N -4.28 -0.21 0.05 6.66 0.15 -1.26 -5.15 113.70 109.66 2dn8 s SER 98 Ca 0.69 0.30 -0.21 0.00 0.70 0.00 0.00 55.95 57.44 2dn8 s SER 98 Cb -0.09 1.20 -0.06 0.00 -1.71 0.00 0.00 66.02 65.35 2dn8 s SER 98 CO 0.54 -0.04 0.62 -0.55 1.20 0.00 0.00 173.24 175.01 2dn8 s SER 99 N 1.84 7.09 0.00 5.45 0.15 -1.26 -5.37 113.70 121.60 2dn8 s SER 99 Ca -0.03 1.29 0.00 0.00 0.70 0.00 0.00 55.95 57.91 2dn8 s SER 99 Cb -0.02 -2.39 0.00 0.00 -1.71 0.00 0.00 66.02 61.90 2dn8 s SER 99 CO -0.15 0.18 0.36 0.61 1.20 0.00 0.00 173.24 175.44